NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 665 N 4.7487 8.3829 117.7925 52.1937 40.5021 176.7527 *666 F 4.0935 8.0313 119.7120 58.8205 38.3245 174.9158 667 E 4.3424 8.3119 118.4508 57.3562 30.6485 178.2429 668 Q 3.9582 8.1205 121.5743 58.9012 28.1454 183.6684 669 S 4.3475 7.9282 113.3569 59.9193 62.6654 176.5029 670 L 4.1516 7.1860 121.8850 56.2386 41.8092 177.3812 671 K 4.3423 8.7130 126.4311 56.8714 33.1799 175.8637 672 N 4.7453 8.0828 115.5120 53.9185 37.8745 176.7017 673 L 5.1114 7.6102 114.1560 53.5735 46.1162 176.1683 674 V 4.3380 8.4890 114.7410 59.5532 34.4572 174.7645 675 V 4.5536 8.1396 125.5045 60.9585 32.9408 175.6014 676 S 4.5499 8.8947 126.2545 58.5645 63.9044 174.6743 677 E 4.3114 8.7909 114.6437 57.7230 30.2581 173.8440 678 K 4.2717 7.8288 119.2243 57.1243 33.5631 175.8799 679 I 4.2749 8.1042 126.8570 59.6043 38.7509 175.3759 680 L 4.0891 8.8233 128.9115 57.5125 42.1900 177.4198 681 G 4.0169 7.1089 102.9844 45.9208 0.0000 171.6694 682 Y 5.1057 8.7075 117.0815 56.0352 41.1618 175.2183 683 G 4.3590 9.3876 110.9460 44.7968 0.0000 173.1086 684 S 4.3824 8.5606 115.6125 59.2534 62.7422 172.4557 685 S 3.6784 9.3897 117.8861 59.6400 59.8067 172.5890 686 G 4.0195 8.6272 105.1228 46.3811 0.0000 174.2690 687 T 4.4209 7.6515 116.7100 63.1997 69.6779 173.8030 688 V 4.4470 8.4322 125.3351 60.9417 34.8658 174.1008 689 V 4.5486 8.2797 128.2478 61.6990 33.0068 174.9827 690 F 5.1240 9.7409 127.3118 55.8270 42.0135 174.8672 691 Q 4.5403 8.6983 121.5979 56.5086 30.6416 175.3097 692 G 4.6849 8.5178 110.2988 45.9763 0.0000 171.6948 693 S 5.2388 9.0780 113.5218 56.6747 66.9993 173.1029 694 F 4.8884 9.6240 125.6241 56.5013 41.4428 175.1742 695 Q 3.1369 9.3358 127.4146 56.8302 26.0514 175.3762 696 G 4.0126 8.1895 105.8432 45.7946 0.0000 174.9428 697 R 3.9388 7.5182 119.6378 55.4184 30.5453 174.0259 698 P 5.0167 0.0000 0.0000 62.7437 31.9953 176.1995 699 V 4.8168 8.7556 116.6955 59.7665 36.7825 173.9285 700 A 4.9442 9.2908 125.7123 51.1089 20.6729 176.3597 701 V 4.7352 9.0826 122.6292 61.0263 34.2343 174.2003 702 K 4.6934 9.2967 130.2971 54.9118 34.0569 174.5408 703 R 4.7127 8.9656 129.2029 55.0866 31.7768 175.0618 704 M 5.1846 8.8027 125.5697 53.1217 36.2393 175.1135 705 L 4.4217 8.7074 122.8574 55.0278 42.5206 178.9718 706 I 3.3430 8.0373 123.1482 63.9843 35.3963 174.9974 707 D 4.6400 7.8725 115.5000 54.6358 39.7828 179.1889 708 F 5.3534 8.8471 121.1130 58.9519 39.9193 177.9864 709 C 4.0706 8.2150 126.9105 64.5723 27.2044 178.2770 710 D 4.6535 8.5272 124.7399 59.6850 39.0435 181.4754 711 I 3.9045 8.1702 120.4016 63.9574 35.3798 180.0886 712 A 4.3676 7.9335 121.7636 55.6893 19.4211 179.4631 713 L 3.9524 7.7792 123.1969 60.7851 40.9293 181.9951 714 M 4.2262 7.6891 121.1170 59.4002 31.2750 179.7446 715 E 4.0754 7.5447 120.2794 59.2712 29.7546 178.8532 716 I 3.2035 8.3666 122.4285 64.9430 37.3331 178.9149 717 K 3.8480 8.2645 124.6380 60.1514 30.9933 180.9478 718 L 4.1756 7.7830 119.9023 57.3338 41.4682 179.4574 719 L 3.4847 8.0615 119.2614 58.0338 41.3511 179.4510 720 T 3.9747 7.8124 114.6511 67.0734 68.5335 175.6228 721 E 4.0977 7.8787 119.0823 58.5394 29.6921 177.3491 722 S 4.7550 7.6084 111.5530 57.5652 65.0123 175.3626 723 D 4.4090 8.8161 121.1866 56.1299 39.1604 177.3112 724 D 4.4585 8.3796 118.6028 57.4089 41.3707 176.6342 725 H 4.1870 7.8177 118.4121 55.2620 30.3132 174.0465 726 P 4.2430 0.0000 0.0000 65.3059 31.5738 176.8016 727 N 5.1382 8.3302 112.2699 51.8574 39.0659 173.3118 728 V 4.6756 7.3685 119.0941 60.5859 33.2214 175.4489 729 I 3.7902 8.1986 128.4380 61.6768 38.9173 174.5146 730 R 4.4697 8.3079 125.6148 54.5467 32.9844 173.5670 731 Y 4.6372 8.0543 127.4653 57.0545 39.7528 175.0143 732 Y 4.3590 8.4288 125.6756 59.0147 38.5091 175.4191 733 C 4.3952 6.7551 110.6211 58.4232 32.4422 171.8705 734 S 5.3164 8.7044 114.1419 56.9546 66.6968 173.3971 735 E 4.8207 9.4221 122.4820 54.9167 33.3021 174.0576 736 T 5.2039 8.7395 122.1353 62.0088 71.1650 173.4913 737 T 4.7677 9.0745 115.9996 59.1583 71.9028 173.9103 738 D 4.4701 9.0400 123.4843 57.2131 39.2751 178.7991 739 R 4.0320 7.9141 117.0622 56.8965 30.2244 177.0883 740 F 5.1937 7.8408 113.6656 56.4997 44.3543 173.2180 741 L 5.1410 8.9627 121.8756 53.6527 44.9441 174.5508 742 Y 5.1776 9.3609 124.2427 56.2710 40.9417 174.7160 743 I 4.8943 8.7996 124.0483 59.4721 40.8417 174.1579 744 A 5.1983 9.2821 129.8105 50.5867 20.6916 175.7861 745 L 5.1986 9.3748 122.1477 52.3053 46.5968 175.6062 746 E 4.2947 8.4324 121.2977 57.1602 29.9493 176.2885 747 L 4.6271 8.7186 127.5926 53.9850 43.5433 175.0040 748 C 5.0927 8.2543 121.3097 57.9340 32.0880 173.8253 749 N 4.5461 8.4531 118.6740 55.8218 38.6523 175.5766 750 L 4.2968 7.1845 115.5820 53.8724 42.6456 173.1814 751 N 5.0224 8.3370 118.3534 51.7230 39.8871 175.8185 752 L 3.9152 8.9077 122.4423 58.4224 41.9518 178.7632 753 Q 4.2195 8.0570 120.2939 58.6912 29.0099 177.9641 754 D 4.3250 9.2027 120.2961 57.1665 40.6829 178.2836 755 L 3.7853 7.5644 119.3832 58.2762 42.1700 178.9847 756 V 3.6586 8.2196 117.0339 65.9476 31.5730 177.3393 757 E 4.1203 8.3555 116.9816 55.8049 29.9467 176.5687 758 S 4.1193 7.5991 114.5596 58.4287 63.0560 169.8240 *772 Y 4.6221 7.9244 122.2398 57.8150 38.2397 172.0113 773 N 4.6274 8.0551 121.2716 51.1884 40.6726 174.0175 774 P 4.1449 0.0000 0.0000 66.0681 31.4907 178.5866 775 I 3.6956 7.7114 119.1503 64.0742 36.9644 177.9543 776 S 4.1170 8.4111 113.9922 61.3819 62.1208 176.2167 777 L 3.9392 7.4544 121.1306 57.9045 41.3324 179.2378 778 L 3.4136 7.4996 118.1524 57.6119 41.5076 179.2175 779 R 3.1568 8.3639 118.7063 59.7398 29.9361 178.3359 780 Q 3.9397 8.0779 117.3307 59.1246 28.7127 179.1760 781 I 3.7032 7.8710 120.5637 64.1094 37.0477 178.3008 782 A 4.0240 8.3541 122.0035 55.2891 18.0626 179.2730 783 S 4.1022 8.3494 110.6336 61.6840 62.6929 176.6088 784 G 3.4900 8.0456 107.8988 47.6785 0.0000 175.6948 785 V 3.5148 7.7395 121.1560 65.7291 31.4993 177.7505 786 A 3.9252 8.2019 120.5509 55.4936 18.1463 179.1470 787 H 4.1239 7.9926 116.1466 59.4268 29.9462 177.4670 788 L 4.0020 7.8051 120.1711 58.3152 41.5028 178.9561 789 H 4.2469 8.4782 116.4541 59.0526 28.4057 177.8840 790 S 4.1820 8.1372 115.1596 60.8555 62.6336 175.5333 791 L 4.4894 7.3880 119.8847 53.2445 42.4783 176.4255 792 K 3.8000 8.2508 117.2186 57.9741 30.1627 175.0012 793 I 4.7688 8.0636 118.7055 59.6820 39.7518 176.2967 794 I 4.3230 8.7323 129.3933 59.7354 38.5584 174.7188 795 H 4.4785 8.9444 128.1595 56.1141 30.0715 175.2205 796 R 4.5988 8.8119 122.9945 56.3408 31.0937 175.4993 797 D 4.8974 7.6623 117.3911 53.5112 41.8607 175.2315 798 L 3.8539 7.9611 117.5660 54.2737 42.5483 176.6471 799 K 3.4987 7.5750 119.6808 55.3365 34.6375 174.2287 800 P 4.0600 0.0000 0.0000 65.5356 31.2612 179.1441 801 Q 4.0374 7.6248 115.8211 58.2489 28.7992 176.9115 802 N 4.4199 7.9324 115.2308 54.7379 39.2879 174.5272 803 I 4.4500 7.2873 119.9383 60.3628 38.1295 175.3480 804 L 4.8183 8.9024 128.2266 53.3785 44.0692 176.0046 805 V 4.7616 8.9408 121.6127 61.1649 34.5718 174.1617 806 S 5.0994 9.4780 122.8133 56.8146 65.1779 174.2526 807 T 4.4078 9.2585 116.0581 61.4572 69.4310 175.5534 808 S 4.1800 7.9477 118.2512 58.7387 64.0561 174.6262 809 S 4.1759 8.6888 124.3635 61.0622 62.1159 177.2979 810 R 3.7645 7.5299 119.8826 59.0482 30.0013 178.4394 811 F 4.6331 7.3623 115.7146 60.9979 39.3879 177.4670 812 T 4.3253 8.6838 110.8542 63.9532 68.4474 176.3462 813 A 4.0761 8.0960 123.2624 53.9737 18.7705 177.3608 814 D 4.4811 7.6507 115.4062 54.2652 42.1927 175.7292 815 Q 4.8381 8.4387 122.6992 54.8348 29.6429 177.0253 816 Q 3.9537 8.3026 123.1749 59.5811 29.3619 177.4422 817 T 4.4322 7.7375 110.0152 60.1245 68.6777 176.6758 818 G 4.0878 7.9969 113.3088 45.3954 0.0000 173.4008 819 A 4.3736 8.4179 124.5725 51.8034 18.3027 177.1208 820 E 4.7799 8.4167 121.6188 55.1109 33.7863 176.5294 821 N 4.3731 9.0267 120.8711 56.1465 39.0800 175.5051 822 L 4.7066 7.6697 116.2894 53.5756 43.3861 175.9700 823 R 4.7174 9.1023 123.4527 54.5658 32.7956 174.3003 824 I 4.8315 9.0805 127.0387 59.4959 39.9497 174.5488 825 L 5.0456 8.9203 126.4205 52.9749 45.4796 175.4428 826 I 4.8076 8.2835 123.1983 60.0554 38.8531 176.5675 827 S 4.7150 8.4176 118.0280 58.1333 65.5617 173.3277 828 D 4.7208 8.2130 119.3320 52.9768 40.3717 174.9769 829 F 4.4695 8.9347 124.4683 57.0421 39.4933 178.5718 830 G 3.5618 8.0569 111.7227 48.6649 0.0000 175.6307 831 L 4.0799 7.6853 118.6544 56.7964 42.0799 177.2551 832 C 4.1573 7.0068 114.5829 60.3684 28.9402 173.6724 833 K 4.4541 9.0694 123.1078 54.4088 35.2346 174.4834 834 K 4.8758 8.3782 128.0055 54.8372 33.3783 175.9966 835 L 4.2314 8.6769 130.2390 54.8262 42.4723 177.2639 836 D 4.5504 8.7212 120.8570 53.0665 40.3569 177.7026 837 S 4.3579 8.8755 111.7534 62.4440 62.8018 175.7359 838 G 4.2027 7.7874 110.6743 42.9251 0.0000 172.3008 839 Q 4.1410 7.4533 122.2957 54.3050 31.8696 174.8050 *842 F 4.6179 8.6821 111.8690 58.8971 39.0414 175.4642 843 R 4.2016 8.6153 126.0259 57.5201 27.0811 174.0112 *852 T 4.5808 7.8913 115.0760 59.8476 70.9824 175.3574 853 S 4.9442 7.9228 115.7366 58.2653 63.5712 175.5936 854 G 3.5490 8.4261 111.3478 47.2050 0.0000 174.8885 855 W 4.9649 8.0962 119.7252 56.6931 29.8933 175.4625 856 R 4.7878 7.9158 115.2425 53.7670 33.1473 176.6698 857 A 2.5800 8.1518 122.0205 50.7118 20.3509 177.0997 858 P 3.9173 0.0000 0.0000 65.7788 31.1669 178.7493 859 E 3.9322 7.9116 114.2157 59.6218 28.9907 178.7489 860 L 4.1689 7.4935 117.9807 57.0007 42.1975 178.6665 861 L 4.0979 7.5413 119.9029 57.5128 42.0873 178.6690 862 E 4.0330 7.9356 116.6468 56.1980 30.2376 179.1418 863 E 4.2896 8.4145 118.5005 54.6608 30.6104 176.0849 864 S 4.1881 8.6135 117.5116 59.3644 63.8814 173.9719 865 N 4.9778 8.4511 121.1172 50.1781 39.5697 172.8378 866 N 4.5709 8.7719 121.1757 55.0975 38.9059 176.5222 867 L 4.1560 7.8942 116.9543 56.3646 42.1159 176.8241 868 Q 4.4878 7.4183 117.8677 54.7608 31.1439 175.8087 *893 T 4.1259 8.2256 114.5878 60.6630 70.0211 174.7285 894 K 4.0264 8.5879 126.9147 55.1259 32.2349 178.5167 895 R 3.9935 8.5040 124.3419 56.2063 29.8543 175.6670 896 R 4.1953 8.3157 122.8797 55.9586 30.5321 173.2877 897 L 4.4431 7.3446 120.0886 53.2789 43.5833 176.0475 898 T 4.6778 8.1460 117.6155 59.8519 70.5999 174.8452 899 R 3.9807 8.6951 121.4508 58.9110 30.4184 179.3651 900 S 4.1196 8.2522 113.1376 61.4786 62.1459 175.9494 901 I 3.6530 7.5984 122.1830 64.5223 37.4450 177.4164 902 D 4.3316 8.5930 119.7555 57.3997 40.7238 178.7271 903 I 3.7422 7.8466 120.3680 64.0273 37.0074 178.2439 904 F 4.2322 8.1414 122.5033 60.9458 39.2814 177.1530 905 S 4.2800 7.8567 114.3678 61.8432 62.5795 176.3339 906 M 4.0941 8.4194 121.9514 58.5686 31.6539 178.8339 907 G 3.3194 8.1125 105.7387 48.0480 0.0000 175.3501 908 C 3.9864 7.7253 119.1453 62.5081 28.1198 176.4245 909 V 3.8750 8.2723 120.0247 65.9598 30.9849 177.8281 910 F 4.2558 8.9256 118.0991 60.9444 38.6486 176.5141 911 Y 4.1319 8.0884 118.5273 61.3614 38.0611 177.7021 912 Y 5.2190 8.5641 121.7740 61.2726 38.9801 178.1886 913 I 3.6653 8.1883 120.8839 64.2431 37.1930 178.3974 914 L 3.9549 8.3760 120.2833 57.3412 41.3593 178.9420 915 S 4.2327 8.4990 116.7614 57.2806 63.2950 174.5554 916 K 3.6100 8.8110 122.6705 56.4369 29.3211 180.3651 917 G 3.7561 7.6435 105.9219 45.9465 0.0000 175.2137 918 K 4.5004 8.0472 120.1740 56.0055 33.5303 175.0638 919 H 5.2506 8.4612 118.2472 53.7906 32.6859 172.6412 920 P 3.9869 0.0000 0.0000 64.9774 31.2419 178.0024 921 F 4.7848 7.7866 114.4171 56.8724 39.9598 174.4086 922 G 3.8986 7.5615 106.9016 44.4100 0.0000 173.8180 923 D 4.4656 9.1423 120.9878 53.9432 40.3501 174.5650 924 K 3.8440 8.7815 127.9011 59.8637 31.4690 176.9691 925 Y 4.4164 7.6905 115.2939 61.1346 38.3112 177.8297 926 S 4.3533 8.6076 116.0837 61.1530 62.8048 176.3413 927 R 3.9714 7.9049 121.2274 58.8179 29.6696 177.8531 928 E 3.8028 8.0503 118.1742 59.6551 29.5293 179.0580 929 S 4.0636 7.9583 112.0584 61.5392 62.6050 175.3138 930 N 4.2312 8.0291 119.0573 56.6173 38.1335 177.1738 931 I 2.6048 7.3666 119.8207 64.3888 37.2545 178.2995 932 I 3.7884 6.9748 118.9857 64.2745 36.9576 178.4292 933 R 4.1243 8.1107 118.4349 56.7957 29.9896 177.1580 934 G 3.8434 8.4604 106.4072 46.3321 0.0000 173.2130 935 I 4.2145 7.8374 120.9971 59.2549 37.7331 175.1522 936 F 5.2229 7.7760 119.2509 55.1718 41.0716 173.6917 937 S 4.7391 8.5375 114.4302 56.9747 65.1985 173.4272 938 L 4.3764 8.2859 124.9932 54.5877 42.2639 177.3747 939 D 4.6388 8.0229 118.7997 56.1113 40.7297 176.4456 940 E 4.8301 8.7359 120.0643 56.1301 30.6280 176.9937 941 M 4.4792 7.7799 119.2179 54.1880 30.6516 177.6429 942 K 3.9961 7.8241 121.1291 59.3360 32.8554 178.6666 943 C 4.0468 8.1788 115.9706 61.4103 28.2170 173.4914 944 L 4.4334 6.9929 119.5150 53.3960 41.9969 176.5216 945 H 4.3249 8.6833 121.5569 57.9134 29.2007 175.5857 946 D 4.6780 7.8762 119.3427 52.9923 42.1464 176.7905 947 R 3.9422 8.6585 127.0457 59.2725 30.1283 179.0927 948 S 4.3103 8.5950 115.5806 61.2154 63.1343 176.4378 949 L 4.0615 8.0572 122.9510 57.2049 41.2730 179.6119 950 I 3.6191 7.5935 119.4607 64.2536 37.1413 177.8901 951 A 4.0177 7.8636 121.5697 55.4888 18.2753 179.3587 952 E 3.8493 8.6166 116.7855 59.5397 29.5817 179.5699 953 A 3.8412 8.3562 120.7127 55.4700 18.4149 179.4048 954 T 3.7940 8.3070 114.6478 67.0542 68.5977 175.7098 955 D 4.3643 7.8739 118.9400 57.5345 41.1123 178.0579 956 L 3.7640 7.6339 120.0054 58.1968 42.0768 178.8223 957 I 3.4960 8.2135 120.0041 64.3799 36.8980 178.3043 958 S 3.7415 7.8623 113.6813 61.8185 62.7186 176.3858 959 Q 4.1561 7.8841 121.1201 58.8430 27.9321 178.5480 960 M 4.0808 8.2000 120.1717 57.4233 31.6309 177.8195 961 I 4.1984 7.1760 111.2044 59.6820 39.1143 175.2513 962 D 4.6776 7.4412 119.9110 55.0428 41.5851 175.9563 963 H 4.1169 9.1702 125.1888 58.2827 30.2531 174.2074 964 D 4.7952 8.6978 119.8799 51.7175 41.6760 174.5224 965 P 4.2828 0.0000 0.0000 65.8992 31.5244 178.7934 966 L 4.0721 8.0360 116.8572 57.2328 41.6753 178.4700 967 K 4.2143 7.8974 117.1517 58.1891 32.4144 177.7368 968 R 4.3299 7.4079 119.0926 54.9630 30.4500 174.9339 969 P 4.4687 0.0000 0.0000 62.5861 32.2417 176.5627 970 T 4.2706 8.2416 110.2566 61.0745 70.8219 175.5047 971 A 4.0025 8.4232 122.8043 55.5801 18.7408 179.1785 972 M 4.1468 8.0517 116.2834 58.6831 32.1900 178.0663 973 K 4.0145 7.9747 119.9762 59.5122 32.3316 178.7920 974 V 3.7525 7.7903 118.1392 66.0149 31.2741 177.6694 975 L 4.1593 7.9457 116.3553 56.4683 41.7493 177.6575 976 R 4.6694 7.6433 116.5400 56.0808 30.6421 176.1828 977 H 4.1276 8.1427 119.1815 55.3196 30.3983 174.5245 978 P 2.0000 0.0000 0.0000 63.5379 31.3041 178.3353 979 L 3.6007 7.6228 119.7846 57.8632 41.7178 177.5797 980 F 4.7358 7.4386 113.6681 57.5015 39.3258 176.1504 981 W 4.6423 7.4444 121.6444 55.7201 29.7448 174.8192 982 P 4.6570 0.0000 0.0000 62.2783 33.3715 177.5413 983 K 3.5446 8.4902 119.1637 59.2629 31.8414 179.4075 984 S 4.0821 8.1124 114.2939 61.7536 62.4343 176.7125 985 K 3.9784 7.8196 122.6695 58.8381 32.0913 178.7537 986 K 4.3541 7.9917 118.8807 59.4090 31.9357 178.9064 987 L 4.1506 8.2644 120.8984 58.2579 42.0572 178.3534 988 E 3.7696 7.9372 119.0005 59.4236 29.4840 178.1913 989 F 3.2353 8.4902 120.7765 61.3996 39.2933 177.1765 990 L 3.7296 7.9689 117.8724 57.6968 41.4661 179.3791 991 L 3.7629 7.7870 118.8122 57.7926 41.5525 179.7858 992 K 3.7697 8.2193 118.3311 59.4196 32.1175 179.3996 993 V 3.3215 7.5497 118.7435 66.0444 31.1061 177.9475 994 S 3.8705 7.9172 111.8036 61.5204 62.3684 175.6233 995 D 4.3813 7.9770 121.5620 57.0563 39.9708 178.6580 996 R 3.8466 7.8764 119.4538 59.2644 29.8827 177.7667 997 L 4.2463 7.2156 114.7652 55.3729 41.6590 178.2675 998 E 4.0737 7.6649 120.1928 59.0622 29.5548 178.1775 999 I 3.8753 7.2665 118.1253 63.4384 37.5283 176.5773 1000 E 3.9333 7.9395 119.2385 56.3758 29.9726 176.0260 1001 N 4.4969 8.7453 123.5011 53.8479 39.1670 176.4072 1002 R 4.1026 8.6856 127.0846 58.7161 29.9166 174.1742 1003 D 4.4242 7.0907 114.2545 55.4474 40.0311 178.5665 1004 P 4.8286 0.0000 0.0000 59.7491 32.8515 173.4991 1005 P 4.2535 0.0000 0.0000 62.7100 31.6981 176.3523 1006 S 4.2650 8.6272 117.5959 57.9884 63.6252 175.1108 1007 A 3.9714 8.7711 122.8006 55.5737 18.0774 179.1764 1008 L 4.0857 7.8055 118.1553 58.7546 42.1401 179.1544 1009 L 4.0796 7.9952 117.9768 58.2355 41.7054 179.2287 1010 M 4.1702 7.9529 118.4035 58.4819 31.6401 179.0251 1011 K 3.9812 8.1291 117.9399 59.3935 32.6500 179.1610 1012 F 4.0151 8.2881 117.5683 60.4859 38.8689 176.5432 1013 D 4.4284 8.7359 117.8585 57.8560 40.7140 178.2510 1014 A 3.8617 7.8442 119.6178 55.5657 18.5616 179.4097 1015 G 3.7883 8.0777 103.4138 47.9181 0.0000 175.8150 1016 S 4.2451 8.9618 118.6901 61.9564 62.7910 176.4571 1017 D 4.4605 8.3920 120.7063 57.7144 40.3357 178.9219 1018 F 4.1936 8.5077 120.0303 61.3242 39.5337 177.1054 1019 V 3.9270 8.0016 116.2916 64.2089 33.0401 175.8681 1020 I 4.7463 8.5058 120.9261 58.2871 37.0380 174.0031 1021 P 4.6447 0.0000 0.0000 64.7869 31.8015 179.1012 1022 S 4.0976 8.0987 113.1046 59.3895 62.9149 175.4593 1023 G 3.9400 9.1010 108.0474 45.2955 0.0000 172.2791 1024 D 4.8742 8.6754 120.2919 52.3007 43.4100 175.7869 1025 W 4.8788 8.5668 125.0917 59.0416 29.1056 178.6994 1026 T 3.7286 7.6574 118.9012 67.2011 68.0242 176.9362 1027 V 3.5665 7.1299 116.2556 63.7694 31.5552 178.9558 1028 K 4.3187 7.9073 116.1858 55.9473 31.8418 176.2396 1029 F 4.4607 8.0777 119.8905 55.5512 42.2847 175.4618 1030 D 4.4919 8.9127 124.9551 54.3489 40.2655 177.5082 1031 K 4.1306 8.9236 127.7691 59.4304 31.5892 178.1059 1032 T 4.0540 7.9684 109.5073 65.1185 68.1842 175.9598 1033 F 4.1919 8.0569 124.8282 60.3515 39.2039 177.1082 1034 M 4.2799 8.3473 120.0092 59.2325 31.9617 179.0113 1035 D 4.4144 7.9332 119.6674 57.8362 39.6708 180.0053 1036 N 4.7080 8.2253 118.8531 57.0052 37.2929 178.2113 1037 L 3.7664 7.4375 126.3460 59.6681 40.9445 181.4063 1038 E 3.8303 8.5960 120.3516 60.2017 29.6035 181.1799 1039 R 4.3652 7.2242 121.1619 63.7378 29.4616 183.4005 *1040 Y 4.2503 7.3910 116.8786 58.0427 37.3733 178.4290 1041 R 4.8304 7.8189 120.9713 54.4034 33.6095 176.3725 1042 K 4.4851 8.5138 120.9093 54.2174 32.5380 176.2293 1043 Y 4.6887 8.6183 121.0389 55.5956 40.3633 175.2692 1044 H 4.5910 9.1257 123.0904 54.7559 28.4607 176.1398 1045 S 3.6476 8.7418 121.2853 60.6593 62.8264 176.3832 1046 S 4.7126 7.8980 112.7635 58.2625 63.4373 174.7451 1047 K 4.5875 7.8971 121.0243 55.3273 34.5074 177.3545 1048 L 4.0225 8.4481 123.8283 58.3602 42.2683 179.1173 1049 M 3.9939 8.0523 116.5750 58.4493 30.8728 178.2283 1050 D 4.2043 7.9791 119.3773 56.8059 41.2539 177.8855 1051 L 2.0000 7.1583 119.8250 57.5642 41.7817 178.8553 1052 L 3.7355 7.9227 120.2446 58.2100 42.0179 178.9990 1053 R 3.8246 7.8274 118.3538 58.9890 29.9365 178.0655 1054 A 4.1981 8.3465 121.2501 55.2898 18.2758 179.0554 1055 L 3.9875 7.9131 118.4791 58.5901 41.9802 179.3308 1056 R 3.9225 8.0760 118.2998 59.3747 29.9398 178.1390 1057 N 4.4604 8.9025 116.6271 56.3636 38.3795 177.2016 1058 K 4.0009 8.2669 119.8655 59.9791 32.0424 178.4819 1059 Y 4.1843 8.0207 118.0394 61.2914 38.7345 177.7464 1060 H 4.4412 8.7659 116.0448 58.4915 29.0994 176.6234 1061 H 4.9245 8.5370 117.0905 55.6702 29.5039 177.1444 1062 F 4.3359 8.0065 126.4157 61.2713 39.4209 176.8849 1063 M 4.1618 8.1191 118.9680 57.8807 32.1793 176.3333 1064 D 4.5877 8.1724 117.4166 55.3435 41.5723 176.9199 1065 L 4.0498 7.1306 119.7307 53.4324 42.3489 175.2754 1066 P 4.2395 0.0000 0.0000 63.3745 32.1497 177.8179 1067 E 3.8957 8.9173 121.1330 61.7524 29.3604 178.8349 1068 D 4.5659 8.0618 119.1732 57.0642 40.7109 178.5642 1069 I 3.8093 7.8297 112.9803 63.1342 37.8640 177.5495 1070 A 3.5618 7.7728 121.2993 55.0357 18.0961 178.3688 1071 E 4.0473 8.2004 116.3760 59.9261 29.7138 179.0288 1072 L 4.2189 7.2704 116.9959 57.2720 42.1294 177.9236 1073 M 3.5415 10.1367 118.7210 55.9308 32.7236 177.7064 1074 G 4.0148 8.1528 109.0712 44.7951 0.0000 171.6712 1075 P 4.5209 0.0000 0.0000 62.0353 32.1171 176.1923 1076 V 3.7708 8.2544 119.8252 62.6570 33.0934 178.0278 1077 P 3.4201 0.0000 0.0000 63.1503 32.6244 177.2698 1078 D 4.5553 8.9155 126.6557 58.0453 41.4941 178.1677 1079 G 3.7403 8.1214 104.2097 47.8526 0.0000 174.6746 1080 F 4.6698 8.9198 125.3271 60.6472 39.4364 176.3188 1081 Y 4.5440 9.0961 119.2918 61.3288 38.5013 177.9977 1082 D 4.5058 8.9153 119.8071 57.6192 40.6774 177.9827 1083 Y 4.2014 8.1376 119.3149 60.7281 38.9069 178.0243 1084 F 4.2292 8.4550 117.9820 60.1984 39.3643 177.9917 1085 T 4.0824 7.7415 110.6568 65.2133 68.5164 176.6196 1086 K 3.9713 8.0023 126.0564 60.0632 31.7264 180.8764 1087 R 4.0563 7.6392 117.0782 57.2413 31.4022 177.0612 1088 F 4.7503 8.1855 117.1328 54.3927 39.9339 172.9157 1089 P 4.3003 0.0000 0.0000 65.6465 31.8270 177.8243 1090 N 4.7441 8.0399 112.7312 53.6367 38.5278 176.5020 1091 L 4.0252 8.1183 121.7904 58.0838 42.1672 178.6556 1092 L 4.1266 7.8704 119.3710 58.3372 42.3358 178.7491 1093 I 3.7924 7.9912 118.2584 63.9733 37.9939 177.8207 1094 G 3.7508 8.3579 106.5239 48.0232 0.0000 175.7214 1095 V 3.7297 8.1752 121.6300 65.6634 31.4884 177.3131 1096 Y 4.3625 8.3759 119.1630 61.1872 38.6414 178.0714 1097 M 3.9346 8.3063 119.4971 58.5042 32.0538 178.8800 1098 I 3.4729 7.4392 119.3356 64.3339 37.1010 178.7636 1099 V 3.6612 8.1103 119.4747 65.5613 31.0987 178.1003 1100 K 3.8866 8.1650 121.8891 59.9907 32.0827 179.0844 1101 E 4.1074 7.9726 117.6571 60.3468 29.6833 179.6205 1102 N 4.9969 7.9401 115.1192 54.2320 40.4616 176.3575 1103 L 4.5838 7.8709 118.3069 54.2711 41.9377 178.1873 1104 S 4.4520 8.1191 114.1736 60.1671 62.8415 174.3793 1105 D 4.6856 7.8535 119.2344 53.1812 40.1044 175.7323 1106 D 4.5605 8.6659 122.3591 53.8387 41.7360 176.8657 1107 Q 4.0639 8.8593 125.8613 59.3388 29.2208 178.9053 1108 I 3.9631 8.0910 118.3184 64.5758 37.3686 178.3017 1109 L 4.4221 8.9881 119.5454 57.2426 41.3594 179.5870 1110 R 4.3826 7.9844 118.8267 59.3806 29.9462 178.3428 1111 E 3.9342 8.1212 118.4180 59.7371 29.2557 179.7542 1112 F 3.7078 8.3079 115.5856 60.4111 39.2974 177.3819 1113 L 4.3801 8.2190 117.0685 57.5063 41.4368 178.1301 1114 Y 4.8277 8.5281 114.0145 57.4841 38.5018 176.0862 1115 S 4.2025 7.8058 121.8468 59.0814 64.2281 173.9713 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 665 N 8.38 4.75 0.00 2.67 2.79 0.00 0.00 6.88 7.23 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 *666 F 8.03 4.09 0.00 2.37 2.25 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 0.00 667 E 8.31 4.34 0.00 1.92 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 2.00 2.16 0.00 668 Q 8.12 3.96 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 669 S 7.93 4.35 0.00 3.62 3.81 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 0.00 0.00 0.00 670 L 7.19 4.15 0.00 1.53 1.54 0.05 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 671 K 8.71 4.34 0.00 1.78 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.22 7.81 672 N 8.08 4.75 0.00 2.70 2.76 0.00 0.00 6.87 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 0.00 673 L 7.61 5.11 0.00 1.52 1.48 0.93 1.00 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 0.00 674 V 8.49 4.34 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 0.69 0.00 0.00 0.98 0.00 0.00 675 V 8.14 4.55 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 0.35 0.00 0.00 0.70 0.00 0.00 676 S 8.89 4.55 0.00 3.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 677 E 8.79 4.31 0.00 2.01 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 2.22 1.86 0.00 678 K 7.83 4.27 0.00 1.87 1.76 0.00 1.56 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81 679 I 8.10 4.27 1.71 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.72 0.22 0.00 0.00 680 L 8.82 4.09 0.00 1.43 1.67 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 681 G 7.11 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 0.00 682 Y 8.71 5.11 0.00 2.82 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 0.00 683 G 9.39 4.36 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 0.00 684 S 8.56 4.38 0.00 3.67 3.76 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 0.00 685 S 9.39 3.68 0.00 4.40 4.39 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 0.00 686 G 8.63 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 0.00 687 T 7.65 4.42 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 1.30 0.00 0.00 688 V 8.43 4.45 2.03 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 0.09 0.00 0.00 1.03 0.00 0.00 689 V 8.28 4.55 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 0.98 0.00 0.00 0.89 0.00 0.00 690 F 9.74 5.12 0.00 3.01 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 0.00 691 Q 8.70 4.54 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.44 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 692 G 8.52 4.68 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 0.00 693 S 9.08 5.24 0.00 3.88 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 0.00 694 F 9.62 4.89 0.00 2.90 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 0.00 695 Q 9.34 3.14 0.00 1.26 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 1.85 1.17 0.00 696 G 8.19 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 0.00 0.00 0.00 697 R 7.52 3.94 0.00 1.97 1.69 0.00 2.97 0.00 0.00 2.91 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 698 P 0.00 5.02 0.00 1.96 2.02 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 699 V 8.76 4.82 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 0.78 0.00 0.00 1.09 0.00 0.00 700 A 9.29 4.94 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 0.00 701 V 9.08 4.74 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 1.02 0.00 0.00 702 K 9.30 4.69 0.00 1.86 1.85 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.37 7.81 703 R 8.97 4.71 0.00 1.06 1.73 0.00 2.21 0.00 0.00 2.48 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.02 0.00 704 M 8.80 5.18 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 705 L 8.71 4.42 0.00 1.62 1.30 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 706 I 8.04 3.34 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 0.72 0.91 0.00 0.00 707 D 7.87 4.64 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 708 F 8.85 5.35 0.00 3.16 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 709 C 8.21 4.07 0.00 2.78 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 0.00 710 D 8.53 4.65 0.00 2.67 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 0.00 711 I 8.17 3.90 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 1.45 0.54 0.91 0.00 0.00 712 A 7.93 4.37 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 0.00 713 L 7.78 3.95 0.00 1.69 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 714 M 7.69 4.23 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 715 E 7.54 4.08 0.00 2.09 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 0.00 2.17 2.28 0.00 716 I 8.37 3.20 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.22 0.79 0.00 0.00 717 K 8.26 3.85 0.00 1.72 1.84 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.38 7.81 718 L 7.78 4.18 0.00 1.91 1.73 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 719 L 8.06 3.48 0.00 1.39 1.51 0.70 -0.30 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 0.00 720 T 7.81 3.97 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 1.25 0.00 0.00 721 E 7.88 4.10 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 2.30 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0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 *893 T 8.23 4.13 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 0.00 894 K 8.59 4.03 0.00 1.77 1.64 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.01 7.81 895 R 8.50 3.99 0.00 1.82 1.76 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 896 R 8.32 4.20 0.00 1.59 1.74 0.00 3.19 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 897 L 7.34 4.44 0.00 0.27 0.86 0.52 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 898 T 8.15 4.68 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 1.20 0.00 0.00 899 R 8.70 3.98 0.00 1.84 1.63 0.00 3.14 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 900 S 8.25 4.12 0.00 4.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 1025 W 8.57 4.88 0.00 4.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1026 T 7.66 3.73 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1027 V 7.13 3.57 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 0.71 0.00 0.00 0.93 0.00 0.00 1028 K 7.91 4.32 0.00 1.40 1.26 0.00 1.23 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.23 0.89 7.81 1029 F 8.08 4.46 0.00 2.84 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1030 D 8.91 4.49 0.00 2.60 2.58 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 1031 K 8.92 4.13 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.08 7.81 1032 T 7.97 4.05 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1033 F 8.06 4.19 0.00 3.37 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 1034 M 8.35 4.28 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 1035 D 7.93 4.41 0.00 2.80 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 1036 N 8.23 4.71 0.00 2.87 3.12 0.00 0.00 6.93 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1037 L 7.44 3.77 0.00 1.71 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 1038 E 8.60 3.83 0.00 2.02 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 2.26 2.19 0.00 1039 R 7.22 4.37 0.00 1.73 1.90 0.00 3.24 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 *1040 Y 7.39 4.25 0.00 2.41 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 1041 R 7.82 4.83 0.00 2.02 1.93 0.00 3.19 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 1042 K 8.51 4.49 0.00 1.77 1.59 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.02 7.81 1043 Y 8.62 4.69 0.00 2.89 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 1044 H 9.13 4.59 0.00 3.42 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1045 S 8.74 3.65 0.00 3.97 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 1046 S 7.90 4.71 0.00 4.07 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 1047 K 7.90 4.59 0.00 1.98 1.84 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.84 1.53 7.81 1048 L 8.45 4.02 0.00 1.86 1.77 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 1049 M 8.05 3.99 0.00 2.16 2.10 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 2.53 2.57 0.00 1050 D 7.98 4.20 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 1051 L 7.16 2.00 0.00 0.27 1.20 0.11 -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 1052 L 7.92 3.74 0.00 1.79 1.54 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 1053 R 7.83 3.82 0.00 1.80 1.87 0.00 3.04 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 1054 A 8.35 4.20 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 1055 L 7.91 3.99 0.00 1.44 1.73 0.40 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 1056 R 8.08 3.92 0.00 1.82 2.03 0.00 3.28 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 1057 N 8.90 4.46 0.00 3.11 2.95 0.00 0.00 7.02 7.91 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 1058 K 8.27 4.00 0.00 2.28 2.22 0.00 1.56 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.83 1.78 7.81 1059 Y 8.02 4.18 0.00 2.80 3.18 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 1060 H 8.77 4.44 0.00 3.30 3.40 0.00 5.89 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1061 H 8.54 4.92 0.00 3.27 3.47 0.00 5.82 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1062 F 8.01 4.34 0.00 3.30 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 1063 M 8.12 4.16 0.00 2.02 2.12 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 2.60 2.64 0.00 1064 D 8.17 4.59 0.00 2.74 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 1065 L 7.13 4.05 0.00 1.23 1.36 0.68 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 1066 P 0.00 4.24 0.00 2.28 1.94 0.00 3.55 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 1067 E 8.92 3.90 0.00 1.97 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 2.33 2.02 0.00 1068 D 8.06 4.57 0.00 2.66 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 1069 I 7.83 3.81 1.75 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 1.43 1.01 0.92 0.00 0.00 1070 A 7.77 3.56 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1071 E 8.20 4.05 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 1072 L 7.27 4.22 0.00 1.76 1.61 0.99 0.98 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 1073 M 10.14 3.54 0.00 1.90 2.13 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.56 0.00 1074 G 8.15 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 0.00 0.00 0.00 1075 P 0.00 4.52 0.00 2.28 2.24 0.00 3.81 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 2.15 2.01 0.00 1076 V 8.25 3.77 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 -0.04 0.00 0.00 1077 P 0.00 3.42 0.00 2.32 2.20 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 1078 D 8.92 4.56 0.00 2.84 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 1079 G 8.12 3.74 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 0.00 0.00 0.00 1080 F 8.92 4.67 0.00 3.19 3.25 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 1081 Y 9.10 4.54 0.00 3.28 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 1082 D 8.92 4.51 0.00 3.13 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 1083 Y 8.14 4.20 0.00 2.92 3.27 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 1084 F 8.46 4.23 0.00 3.14 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 1085 T 7.74 4.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 1086 K 8.00 3.97 0.00 1.86 1.81 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 1087 R 7.64 4.06 0.00 1.63 1.26 0.00 2.21 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.16 0.00 1088 F 8.19 4.75 0.00 2.98 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 1089 P 0.00 4.30 0.00 2.12 2.05 0.00 3.50 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 1090 N 8.04 4.74 0.00 2.49 2.36 0.00 0.00 6.78 6.74 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 1091 L 8.12 4.03 0.00 1.93 1.75 0.91 0.30 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 1092 L 7.87 4.13 0.00 1.97 1.80 0.70 1.27 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 1093 I 7.99 3.79 1.92 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 1.62 1.14 1.21 0.00 0.00 1094 G 8.36 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 0.00 0.00 0.00 1095 V 8.18 3.73 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 1.20 0.00 0.00 1.13 0.00 0.00 1096 Y 8.38 4.36 0.00 3.19 3.18 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 1097 M 8.31 3.93 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.61 0.00 1098 I 7.44 3.47 1.51 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.33 -0.18 0.00 0.00 1099 V 8.11 3.66 2.28 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 1.26 0.00 0.00 1.08 0.00 0.00 1100 K 8.17 3.89 0.00 1.19 1.55 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.30 7.81 1101 E 7.97 4.11 0.00 2.13 1.85 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 2.26 2.22 0.00 1102 N 7.94 5.00 0.00 2.65 2.87 0.00 0.00 7.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1103 L 7.87 4.58 0.00 1.87 1.75 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 1104 S 8.12 4.45 0.00 4.13 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 0.00 1105 D 7.85 4.69 0.00 2.80 2.81 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 0.00 0.00 0.00 1106 D 8.67 4.56 0.00 2.70 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 1107 Q 8.86 4.06 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 1108 I 8.09 3.96 2.06 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 1.70 0.70 1.04 0.00 0.00 1109 L 8.99 4.42 0.00 1.83 1.94 0.96 0.98 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 1110 R 7.98 4.38 0.00 1.93 2.17 0.00 3.47 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 1111 E 8.12 3.93 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 1112 F 8.31 3.71 0.00 3.36 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 1113 L 8.22 4.38 0.00 1.79 0.53 0.87 0.98 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 1114 Y 8.53 4.83 0.00 2.90 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 1115 S 7.81 4.20 0.00 4.09 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.