NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 665 N 4.7134 8.3829 117.7870 52.3527 39.1813 175.7650 *666 F 4.4506 9.0356 117.7341 57.9389 39.0803 174.8307 667 E 4.6348 7.8752 119.3694 57.7818 30.9707 177.5047 668 Q 4.1760 8.3568 121.8412 56.9243 29.4037 179.9194 669 S 4.8641 7.7872 112.9468 57.2628 62.4059 177.3559 670 L 4.7627 7.4088 124.2037 53.5629 43.3316 177.8836 671 K 4.1102 9.3272 130.3771 57.8237 32.4492 176.1156 672 N 4.6870 8.9301 117.5628 54.8111 38.2124 178.0746 673 L 4.7821 7.8453 117.3332 53.6007 43.5837 177.0307 674 V 4.1465 8.5922 121.7522 61.2707 33.7348 174.0919 675 V 4.4540 8.0915 128.4343 61.5271 32.6037 175.8432 676 S 4.6130 8.7660 125.9370 57.9592 64.5018 174.5752 677 E 4.2551 8.7129 114.6176 57.5126 30.1550 173.9758 678 K 4.2328 7.9149 120.3516 57.1388 33.3238 175.7378 679 I 4.3261 8.2204 128.4552 59.9653 37.5643 175.6289 680 L 4.0723 8.9236 129.0957 57.0612 42.2949 177.5710 681 G 3.8419 7.0447 103.4213 46.3399 0.0000 172.2387 682 Y 5.0384 8.6806 117.9567 56.2854 40.0606 175.8561 683 G 4.1021 9.0142 112.8506 44.8615 0.0000 172.6776 684 S 4.1083 8.4474 115.6235 59.2006 62.9903 169.5482 685 S 3.6559 8.8102 119.5607 59.0873 58.3774 170.6166 686 G 4.6693 7.8844 101.8640 46.6706 0.0000 171.7326 687 T 4.6192 7.3307 116.4110 61.8971 69.5632 174.0603 688 V 4.4473 8.3984 126.5010 60.8445 34.7409 174.1398 689 V 4.6227 8.4853 127.5397 61.3524 33.3074 174.6790 690 F 5.1725 9.1866 126.9695 55.7623 41.9656 175.1367 691 Q 4.4110 8.9328 122.1530 56.7187 30.4449 175.7717 692 G 4.5734 8.4964 109.0631 46.5270 0.0000 172.1137 693 S 5.2079 8.5454 113.5948 57.0126 67.4680 173.6432 694 F 4.9804 9.2461 122.6004 57.0794 40.5468 174.6924 695 Q 3.4897 9.7110 129.0599 56.8072 26.3306 173.9766 696 G 4.1535 8.4472 106.9086 45.9304 0.0000 175.4951 697 R 3.8278 7.4419 119.2171 55.5497 30.3818 174.1161 698 P 4.8666 0.0000 0.0000 62.6129 32.1006 176.2476 699 V 4.7505 8.8313 116.8201 59.4799 36.6579 174.4782 700 A 4.8074 8.7072 125.6720 51.3192 19.9030 176.5700 701 V 4.4896 8.8606 123.9597 62.0520 33.4384 174.6591 702 K 4.7481 9.4121 130.2852 54.9625 33.7372 174.6622 703 R 4.4857 9.0242 129.7729 55.3934 31.4755 175.1556 704 M 4.9511 8.5103 125.2384 53.0598 36.3470 175.2943 705 L 4.4044 8.7456 122.6562 55.1685 42.4218 179.3266 706 I 3.7579 8.3245 123.3980 63.6232 35.6217 177.2788 707 D 4.4494 7.9963 117.2699 56.2291 39.7874 180.0363 708 F 4.7851 8.2404 120.0281 58.7218 39.4728 178.6116 709 C 4.2439 7.9677 124.8789 63.7458 27.8248 177.7777 710 D 4.6408 8.1912 124.9825 59.2698 39.3632 181.9583 711 I 4.1117 7.9442 120.9304 64.1092 35.4541 179.5684 712 A 4.3036 7.7215 122.1824 55.8278 18.9490 180.1376 713 L 4.1791 7.8234 123.1822 60.4979 40.3630 181.8571 714 M 4.3704 7.7324 118.6410 59.2619 31.2536 181.5641 715 E 4.2973 7.5813 118.4601 59.6558 29.7978 178.9665 716 I 3.2020 8.2488 122.6703 64.6488 36.8725 179.1288 717 K 3.9129 7.9091 124.5397 59.9008 31.3699 180.9443 718 L 4.2585 7.5892 119.1521 57.1760 41.5456 179.5822 719 L 3.4664 7.8397 119.1277 57.9788 41.3200 179.2698 720 T 3.8668 7.6928 114.6166 67.0795 68.4979 175.7464 721 E 4.0796 7.7725 119.4646 58.5882 30.0668 178.0164 722 S 4.7705 7.6369 114.3022 59.2263 64.1963 175.8841 723 D 4.5004 8.5015 121.4332 55.9801 38.9326 177.1248 724 D 4.3818 8.1261 119.0918 57.2019 41.7246 176.1534 725 H 4.3287 7.9942 118.9280 54.9874 30.3166 174.2668 726 P 4.3803 0.0000 0.0000 65.1772 31.6497 176.5415 727 N 5.5692 8.0170 115.2344 52.2845 39.8211 173.9851 728 V 4.6869 7.5090 119.1647 60.6341 33.3107 175.4368 729 I 3.8250 8.7212 128.6072 61.8766 38.9026 174.5557 730 R 4.4225 8.4493 127.1096 54.9037 31.9579 173.9951 731 Y 4.6102 8.0406 126.5182 57.1669 39.4647 173.4647 732 Y 4.4219 7.7483 123.3557 58.2835 39.2094 175.6662 733 C 4.1880 6.6478 110.4913 57.7089 32.9220 171.7167 734 S 5.4081 8.5396 114.3601 56.9658 66.1503 173.4633 735 E 4.8116 9.0458 121.6190 55.1711 33.4189 173.8327 736 T 5.2351 8.6973 122.3573 62.1308 69.7290 174.0106 737 T 4.6128 8.6351 116.5377 59.5803 71.0939 175.3188 738 D 4.5037 8.7622 122.9983 56.4779 39.8610 178.1012 739 R 4.1514 7.6927 119.5370 58.0496 31.3471 180.9143 740 F 5.2850 8.6393 116.9390 55.2859 44.1109 174.1960 741 L 4.6434 8.9648 120.8783 53.8691 44.5488 174.5561 742 Y 5.0181 9.2541 125.2050 57.0498 40.1373 175.0824 743 I 4.7753 8.8784 123.7387 59.4262 40.7049 174.5694 744 A 4.6277 9.1220 130.6253 51.6622 19.8474 176.2157 745 L 5.4604 9.0347 121.3631 52.3201 47.0708 175.3908 746 E 4.5150 8.7799 121.5930 56.7598 29.9469 176.1722 747 L 4.2284 8.8100 129.6126 54.7588 42.2801 175.9171 748 C 4.5810 8.3534 123.9143 58.4113 30.1252 173.5112 749 N 4.5427 8.4558 117.7131 55.7943 38.7634 175.6001 750 L 4.3062 7.5221 115.6234 53.7106 43.5105 173.6115 751 N 4.9732 8.2963 118.1969 51.9520 39.8319 175.9887 752 L 3.9743 8.8400 122.5612 58.2565 41.9531 178.7449 753 Q 4.3096 8.0293 120.4764 58.6386 28.7999 177.8160 754 D 4.3282 8.6968 119.2787 57.2988 40.9983 178.1054 755 L 3.9558 7.5259 119.1400 58.4229 42.1729 178.9838 756 V 3.7117 8.0852 117.1350 64.5757 32.8214 176.9173 757 E 4.5195 7.9489 119.4645 53.2533 27.4789 176.8704 758 S 4.5693 8.2252 126.4541 58.3225 62.3632 177.4392 *772 Y 4.4883 8.4737 126.3960 58.5160 37.9549 170.8254 773 N 4.4237 7.9386 121.2619 51.1059 39.5924 173.8973 774 P 3.9519 0.0000 0.0000 65.8975 31.3230 178.4851 775 I 3.6655 7.5421 119.0974 63.8140 36.9333 178.0777 776 S 4.0662 7.8117 113.7862 61.4466 62.1832 175.9819 777 L 3.9626 7.9179 121.0436 57.9101 41.2850 179.4059 778 L 3.4642 7.5102 118.2417 57.6205 41.5257 179.4195 779 R 3.1719 8.1124 118.5265 59.3906 29.9724 178.3763 780 Q 3.9577 8.3161 117.9684 59.1088 28.7742 178.9174 781 I 3.7233 8.0256 120.6678 64.3627 37.1603 178.2864 782 A 4.0106 8.3030 121.5157 55.3348 18.1461 179.2839 783 S 4.1296 8.4930 112.2049 61.7521 62.3293 176.8924 784 G 3.5169 8.2273 108.0159 47.7644 0.0000 175.9207 785 V 3.5050 7.8557 120.8734 65.5181 31.5507 177.6292 786 A 3.9264 8.3088 120.9754 55.6141 18.0987 179.0918 787 H 4.0226 7.8544 116.2497 59.4089 29.9487 177.4359 788 L 4.0608 7.8730 120.6845 58.3679 41.5007 179.3916 789 H 4.4520 8.6756 116.6178 58.6901 28.3612 178.0123 790 S 4.2759 7.9940 115.4763 60.5969 62.8700 175.4545 791 L 4.4441 7.3135 120.2536 53.3394 41.9150 176.2936 792 K 3.9075 8.0279 117.6360 57.7673 30.0572 175.0330 793 I 4.7655 8.2081 119.6080 59.6173 39.0028 175.4705 794 I 4.5255 8.4987 127.2228 59.9421 39.0334 176.4191 795 H 3.7715 9.3628 125.6438 58.5746 29.8096 177.5541 796 R 4.2610 9.0875 114.6735 56.6862 28.7849 176.3065 797 D 4.7378 7.5476 116.8968 52.7999 41.4973 175.0820 798 L 4.0286 8.0853 118.5682 54.0440 42.5088 176.7494 799 K 3.6187 7.8199 120.7349 54.8243 35.2377 174.6111 800 P 4.0188 0.0000 0.0000 65.3894 31.1715 178.6936 801 Q 4.1449 7.6154 115.3006 57.5958 29.1861 176.0079 802 N 4.8480 8.0400 114.3843 52.7649 40.3990 174.1132 803 I 4.7252 7.3854 120.0939 59.7154 39.4432 175.1520 804 L 4.8360 9.0285 127.8556 53.3488 44.5585 175.9604 805 V 4.7810 8.9610 119.7998 61.2963 35.2593 173.9953 806 S 5.0592 8.8135 122.1555 56.8021 64.7091 174.4146 807 T 4.4581 9.8067 117.4278 62.1947 69.6610 175.7623 808 S 4.3392 7.5159 116.5820 58.6399 64.3267 174.8428 809 S 4.1734 8.7068 121.3875 61.6305 62.5365 176.5993 810 R 3.8300 8.1225 120.4595 58.9782 29.7495 178.1405 811 F 4.4524 8.2102 115.7813 59.7677 39.7517 177.4325 812 T 4.4037 8.0525 106.4504 62.5218 69.3995 175.8219 813 A 4.0845 7.8701 124.7559 54.8690 18.6690 177.5606 814 D 4.6225 7.9105 114.8547 54.3133 41.8682 175.6876 815 Q 5.1543 8.6572 123.4776 54.5293 30.5234 176.4811 816 Q 4.0763 8.6320 121.1618 59.8781 29.0016 177.8973 817 T 4.4178 7.7396 110.3131 59.8196 68.9755 177.0875 818 G 3.8817 8.1488 110.3063 46.2954 0.0000 173.1439 819 A 4.3157 8.2979 125.5322 51.5775 17.9774 176.6947 820 E 4.7243 8.4155 121.2928 55.2371 32.5737 176.3905 821 N 4.4976 9.1254 121.6918 55.8439 38.9751 175.2664 822 L 4.7915 7.6376 115.5174 53.0270 44.4827 176.1406 823 R 4.7091 8.3198 120.8762 54.7070 33.3153 174.0841 824 I 4.5400 9.2243 128.2845 60.6183 38.9410 174.7728 825 L 5.1520 8.8240 127.0065 52.9616 44.7991 175.5227 826 I 4.6134 8.7805 125.6545 60.6540 38.7099 175.3397 827 S 4.7753 8.2511 121.2393 57.8951 66.4437 171.5126 828 D 4.3887 9.1503 120.3258 55.0188 37.8839 173.3359 829 F 4.5885 8.4211 125.2794 56.6629 40.0442 178.9195 830 G 3.5105 7.9768 112.2193 48.6156 0.0000 176.0788 831 L 4.1313 7.6305 117.9995 55.9691 42.2278 176.8679 832 C 4.1023 6.8588 115.6735 60.2865 28.8695 173.6494 833 K 4.4377 8.9444 123.2890 54.4136 35.0940 174.8108 834 K 4.7822 8.5527 128.5049 55.5852 33.1684 176.2956 835 L 4.4131 8.8158 129.8718 54.8338 42.7093 176.9781 836 D 4.6177 8.5333 119.8635 52.7209 40.6863 177.0020 837 S 4.3093 8.8518 111.4777 62.6628 62.5584 175.2602 838 G 4.3298 7.7956 107.5330 44.8050 0.0000 171.1298 839 Q 4.2449 7.3028 124.3675 54.0396 30.2928 178.0823 *842 F 4.9841 8.9849 111.2998 59.5045 39.6216 177.4735 843 R 5.0289 7.8903 120.0960 58.1976 27.4747 179.0309 *852 T 4.5842 7.9856 112.1176 61.3517 70.6361 178.0573 853 S 4.9393 7.9017 116.0592 58.0630 63.3915 175.8257 854 G 3.5260 8.2927 111.4422 47.2896 0.0000 175.2956 855 W 4.8212 8.1908 118.3735 56.4682 29.6569 175.5630 856 R 4.5906 7.8290 116.5196 54.4388 31.6067 176.3372 857 A 2.6506 7.9988 123.4161 50.4570 19.3392 176.9559 858 P 4.0604 0.0000 0.0000 65.9141 30.8802 178.7245 859 E 3.6427 7.7263 115.7682 58.7707 29.6134 178.4292 860 L 4.1481 7.4425 118.4155 56.4318 41.8295 178.5569 861 L 4.3269 7.5526 120.4246 56.3945 42.4412 177.3269 862 E 3.6968 8.2462 115.9006 57.1678 29.8998 179.2945 863 E 4.4433 8.6376 120.7410 53.6402 29.9548 173.3382 864 S 4.4952 8.4063 119.4000 56.9069 64.3262 172.8753 865 N 5.0592 8.1702 118.3571 51.4276 41.5455 174.7725 866 N 4.2627 8.9418 121.6254 56.5071 38.6829 176.0242 867 L 4.4827 7.7074 114.1753 54.6722 43.7811 177.4586 868 Q 3.9396 8.4766 124.1957 57.8598 27.6038 179.6286 *893 T 3.9503 9.0133 113.1724 61.2759 69.1230 175.1689 894 K 4.7580 7.9477 131.7589 53.9604 34.5764 174.2118 895 R 4.1106 7.8481 126.5472 56.0169 30.0620 174.2373 896 R 4.8353 7.9336 116.5422 54.6817 32.5749 176.3877 897 L 4.1023 7.2220 123.4536 53.1448 42.9661 175.4994 898 T 4.5869 7.5894 109.5026 59.4664 71.5029 174.8741 899 R 3.8400 8.5701 119.3255 59.7058 29.6242 178.9012 900 S 4.1064 7.7293 112.3748 61.3631 62.6654 176.3022 901 I 3.6424 7.6361 122.1870 64.5520 37.6099 177.4627 902 D 4.6355 8.4603 121.0691 56.8075 40.6566 178.7995 903 I 3.7856 7.6375 120.3298 64.0236 37.0406 178.1823 904 F 4.3915 8.4751 122.6826 60.9254 38.8705 177.2201 905 S 4.3677 7.9906 112.5486 61.6964 62.6556 176.0631 906 M 4.1155 8.6987 122.3721 58.3389 31.5124 178.3523 907 G 3.3312 8.1788 106.2160 47.8549 0.0000 175.5244 908 C 4.2188 7.9596 118.8511 62.7431 28.2170 176.2469 909 V 3.8320 8.2201 119.8806 65.9472 30.9725 177.9788 910 F 4.2670 8.8917 118.0269 60.9774 38.8168 177.0244 911 Y 4.1105 7.9975 117.8520 60.8164 38.3057 177.1226 912 Y 4.9467 8.6360 122.1770 60.2846 38.9296 178.4457 913 I 3.6933 8.1945 120.5868 64.5853 37.2263 178.5883 914 L 3.9651 8.0856 119.8143 57.1561 41.6270 178.9764 915 S 4.4155 8.1924 113.5383 57.6946 63.6805 174.4211 916 K 3.5939 7.9199 121.2908 55.5548 28.9069 180.6735 917 G 3.4479 7.3342 112.5258 46.1933 0.0000 175.3034 918 K 4.3599 7.8947 119.3595 56.3649 33.1248 175.1784 919 H 5.3741 8.5914 119.9919 53.6658 32.1774 173.4126 920 P 3.9613 0.0000 0.0000 64.7234 31.2046 177.8022 921 F 4.4421 8.2204 113.5665 57.0190 39.6479 174.4294 922 G 3.8319 7.8548 108.0564 44.5084 0.0000 174.1234 923 D 4.5266 8.9190 119.4456 53.6759 40.3009 174.1855 924 K 3.8868 8.5388 121.7568 58.0285 32.0675 179.1725 925 Y 4.4257 7.8526 115.2989 61.5763 37.9579 177.4134 926 S 4.5948 7.8419 110.9743 59.0289 63.3542 175.9098 927 R 4.1635 7.9775 122.2522 59.8317 29.7784 178.0701 928 E 3.8785 8.0109 118.5643 59.0693 29.6405 178.6273 929 S 4.1062 7.9695 112.8847 61.5227 62.6429 175.7416 930 N 4.5063 7.9725 118.7886 56.2379 37.7037 177.5930 931 I 3.1444 7.7821 121.3531 64.2123 36.9330 178.4412 932 I 3.7204 7.1188 119.1748 64.6112 37.0639 178.5499 933 R 4.1118 8.0894 117.3064 56.6371 30.5179 176.4538 934 G 3.8844 7.8258 105.0998 46.9519 0.0000 174.3970 935 I 4.4445 8.6014 120.6841 59.2533 38.8550 176.2284 936 F 4.7980 7.7859 120.9642 54.8034 41.2480 174.1089 937 S 4.4962 8.8384 113.3106 56.0454 65.8310 174.3324 938 L 4.0959 8.2809 127.3380 54.4579 42.2502 176.9499 939 D 4.6662 7.7438 118.0699 55.3303 42.0967 177.1295 940 E 4.7917 8.3901 119.6185 55.9103 29.8876 177.2268 941 M 4.1870 7.6938 118.9433 54.1202 31.0999 176.9976 942 K 4.0162 8.1251 121.5188 59.8431 32.9144 178.4638 943 C 3.8163 7.4749 115.1315 62.9026 28.1193 174.8438 944 L 4.0845 7.6149 118.2669 55.1776 41.6005 176.8470 945 H 4.4116 8.6997 120.5303 57.3449 29.6460 175.5438 946 D 4.4584 7.9293 119.2002 53.9410 41.7495 176.8207 947 R 3.9364 8.6027 127.5174 59.0323 30.1761 179.0237 948 S 4.4462 7.9826 115.3237 60.9754 62.8347 176.5207 949 L 3.9488 7.9359 122.2675 57.5202 41.3198 179.4136 950 I 3.6096 7.4344 119.2463 64.2630 36.9307 178.3090 951 A 4.0241 8.0186 121.5436 55.1858 18.2267 179.5666 952 E 3.8426 8.2851 116.7440 59.6609 29.5925 179.5683 953 A 3.9467 8.6465 121.4264 55.2233 18.3423 179.8983 954 T 3.8316 8.1614 114.6986 66.7245 68.3502 176.1922 955 D 4.3487 7.8693 119.7185 57.3057 41.2665 178.1372 956 L 3.8411 7.6766 120.4779 58.1975 42.0912 178.9332 957 I 3.6206 7.8147 119.9121 64.4459 36.8937 178.7222 958 S 3.9438 7.8415 113.4608 61.1616 63.0502 176.4352 959 Q 4.1228 7.7824 121.8148 59.3061 28.4244 178.3354 960 M 3.9993 7.9587 119.8184 57.9303 32.1109 177.9516 961 I 4.2054 7.5837 110.1890 60.2619 37.8799 175.2540 962 D 4.6218 7.7134 120.1701 54.9525 41.4836 176.1270 963 H 4.2868 9.0585 124.6233 58.4007 30.3116 174.5789 964 D 4.7231 9.0819 120.5202 51.9826 41.4025 175.2047 965 P 4.2980 0.0000 0.0000 65.4804 31.6085 178.5436 966 L 4.1308 7.7089 117.4099 56.9144 41.7314 178.3110 967 K 4.1988 7.6538 117.1824 58.0904 32.3838 177.6650 968 R 4.2807 7.4672 118.8421 54.9682 30.3970 174.9552 969 P 4.4792 0.0000 0.0000 62.5849 32.2207 176.5848 970 T 4.2656 8.2314 110.0501 61.0989 70.6590 175.3191 971 A 3.9878 8.5258 122.8582 55.6207 18.0185 179.6464 972 M 4.0282 7.9879 116.2041 58.6321 32.2445 178.2098 973 K 4.0590 7.8901 118.5666 59.2906 32.5753 178.6540 974 V 3.8804 7.8797 118.7897 66.1330 31.2882 178.0787 975 L 3.8719 7.5207 116.7885 57.6330 41.5078 179.1499 976 R 4.3530 7.6542 115.9589 56.9745 30.8384 176.5658 977 H 3.9505 8.0166 120.0928 55.2368 30.6385 174.2829 978 P 2.0000 0.0000 0.0000 64.0856 31.1021 178.0052 979 L 3.7635 7.5957 120.4728 57.9952 41.7494 177.5709 980 F 4.6886 7.4432 114.2313 57.9007 39.3638 176.1503 981 W 4.5468 7.6306 121.5210 55.7254 29.6943 174.8938 982 P 4.6208 0.0000 0.0000 62.3942 33.0808 177.7164 983 K 3.6100 8.4424 117.5854 59.0482 31.8871 179.8641 984 S 4.0870 7.9187 114.6021 61.2320 62.9874 176.3152 985 K 3.9854 7.9196 122.8736 59.0356 32.0123 178.8057 986 K 4.2886 7.9618 118.5443 59.3683 31.8985 178.9809 987 L 4.1176 7.9694 120.7650 58.3008 42.1055 178.3559 988 E 3.7432 8.2086 119.1491 59.3103 29.4461 178.3675 989 F 3.0590 8.3991 120.7559 61.3139 39.3615 177.2411 990 L 3.8303 8.0532 118.2566 57.4988 41.3748 179.6069 991 L 3.7929 7.9676 119.2018 57.7043 41.6894 179.6240 992 K 3.8339 8.1736 118.7745 59.3890 31.9580 179.5801 993 V 3.3363 7.4593 118.5592 65.7882 31.1627 178.0429 994 S 3.8490 7.7745 112.8710 61.5365 61.9850 175.9859 995 D 4.3945 7.9229 121.2971 56.9027 40.2115 178.8125 996 R 3.9059 7.6381 119.3839 59.3025 29.8038 178.2349 997 L 4.0219 7.6526 117.4890 56.5819 41.3175 178.8652 998 E 3.7458 7.3986 117.0301 58.8395 29.4583 178.0983 999 I 3.9131 7.2445 119.2606 63.6626 37.5500 176.7612 1000 E 4.0477 7.3257 118.9109 56.0275 30.1390 176.1418 1001 N 4.4418 8.7635 123.5307 54.2847 39.7041 176.3520 1002 R 4.1154 8.7075 126.1710 58.8300 30.2373 174.4889 1003 D 4.4144 7.9590 115.8284 55.1307 39.9024 176.7047 1004 P 4.7994 0.0000 0.0000 59.6711 32.3901 173.6473 1005 P 4.4479 0.0000 0.0000 62.6532 31.8485 176.3748 1006 S 4.3606 8.4528 115.7410 57.5344 63.9029 174.8722 1007 A 4.0100 8.6546 122.6108 55.3757 18.1122 179.4531 1008 L 4.1136 7.8491 118.0117 58.4479 42.3242 178.9498 1009 L 4.1310 7.6903 118.7327 58.2551 41.5457 179.5121 1010 M 4.1813 8.0712 118.1289 58.2817 31.6066 178.9555 1011 K 4.0032 7.6933 117.6524 59.3077 32.4710 179.1988 1012 F 4.0959 8.2126 117.6682 60.5667 39.1502 176.9482 1013 D 4.4438 8.7221 117.9235 57.5492 40.7126 178.3161 1014 A 4.2094 8.1077 120.4388 54.7158 18.5586 178.9777 1015 G 3.8593 8.0671 102.3652 45.8074 0.0000 175.8412 1016 S 4.2728 8.0241 118.3649 61.5074 62.8782 175.9801 1017 D 4.4508 8.2815 121.2563 57.4914 40.3916 178.6052 1018 F 4.3341 8.2253 118.9962 61.4799 39.6100 176.8267 1019 V 3.8499 7.6154 116.5538 64.2261 32.9049 176.0559 1020 I 4.7713 8.3283 119.9400 58.6442 37.0105 174.1312 1021 P 4.5543 0.0000 0.0000 64.5408 31.8685 178.4409 1022 S 4.1347 8.1291 112.1047 59.3519 63.3811 175.3505 1023 G 3.9021 9.4939 108.7564 45.5980 0.0000 172.7768 1024 D 4.8183 7.8963 119.2519 51.8472 41.9704 175.5171 1025 W 4.8646 8.8476 125.2509 58.5914 28.4676 178.2046 1026 T 3.9096 7.5936 119.6802 67.6342 67.6578 176.8094 1027 V 3.7020 7.4332 119.3826 66.0854 31.5997 179.7892 1028 K 4.0984 7.7759 115.6662 56.9312 32.1274 176.8190 1029 F 4.6273 7.3213 119.7763 55.6881 41.8319 176.2160 1030 D 4.7689 8.5432 126.5334 55.5706 41.5904 179.1702 1031 K 4.3694 8.6070 124.1326 61.1058 31.9121 180.5193 1032 T 4.1636 7.9566 110.8381 64.3103 67.9769 176.1609 1033 F 4.1875 8.5710 125.6281 62.2643 39.3026 177.4520 1034 M 4.4039 8.1484 120.6062 59.9341 31.1001 180.5029 1035 D 4.6030 7.7789 120.6026 58.3332 39.8085 181.0571 1036 N 4.7631 7.8495 118.5406 55.9273 37.4434 178.3531 1037 L 3.9157 7.2213 127.5000 59.9398 40.8807 182.5415 1038 E 4.4843 8.2378 120.3023 60.6085 29.7237 181.2744 1039 R 4.3695 7.3781 121.4700 62.9102 29.4160 183.7353 *1040 Y 4.2743 7.4979 115.3858 58.9411 37.2741 178.6929 1041 R 4.7436 7.8990 120.8181 54.3029 33.2009 175.4052 1042 K 4.3296 8.2108 119.6337 54.1939 32.3772 172.6036 1043 Y 5.0817 8.0682 118.7643 54.7632 39.5189 174.6503 1044 H 4.3973 9.0014 123.4488 55.5180 29.2762 176.9779 1045 S 3.7697 8.8044 119.5668 59.4458 63.3963 175.5849 1046 S 4.8896 7.8828 113.8439 58.3884 64.5790 175.3462 1047 K 4.3665 7.8879 120.2291 55.9983 33.7872 177.7973 1048 L 4.1372 8.7834 126.8877 58.5703 42.0572 179.8886 1049 M 3.8786 8.0960 120.2856 59.9690 31.2241 182.1346 1050 D 4.6492 8.0760 119.5274 56.5146 41.2821 178.4191 1051 L 2.4400 7.0016 119.6128 57.4231 41.9025 178.8969 1052 L 3.7331 7.4957 120.1332 58.0604 41.9431 178.9125 1053 R 3.9042 8.2828 119.8303 58.6033 30.1042 178.1284 1054 A 4.1122 8.5179 121.0581 55.3313 18.2347 179.3306 1055 L 3.6194 7.8011 118.6316 58.0597 41.9071 179.2662 1056 R 3.9442 7.8283 118.4585 59.5696 30.0299 178.1375 1057 N 4.4454 8.5797 116.6763 56.5288 38.3567 177.5376 1058 K 4.1458 8.0387 118.3657 59.5181 32.4334 178.6643 1059 Y 3.8216 8.0766 119.9483 61.1327 38.5983 177.6231 1060 H 4.1960 8.6536 115.9341 58.1614 29.0502 176.4557 1061 H 5.0551 8.4110 117.5563 55.5524 29.5217 176.9562 1062 F 4.1528 8.0032 126.1628 61.3600 39.5337 176.9918 1063 M 4.0887 8.0954 119.3606 58.4475 32.1799 176.8032 1064 D 4.4947 7.7961 117.4026 56.1672 41.3303 176.9853 1065 L 4.0472 7.0356 118.6091 53.7263 42.3468 175.9035 1066 P 4.4035 0.0000 0.0000 62.8551 33.2409 177.9886 1067 E 3.9463 8.8575 121.3582 61.7718 29.4443 179.3599 1068 D 4.6306 8.0088 119.4974 56.0443 39.5602 178.5860 1069 I 3.7822 7.6675 120.7227 63.9176 37.0708 177.7504 1070 A 3.6359 7.6774 120.7301 54.9741 18.2814 178.7500 1071 E 4.1081 8.1224 117.7233 59.8336 29.4790 179.3221 1072 L 4.2060 7.5127 116.9470 57.4098 41.4680 177.7213 1073 M 4.1382 8.5111 118.8357 55.8847 33.1684 178.0188 1074 G 4.1907 7.9532 110.8980 44.0575 0.0000 172.1042 1075 P 4.7443 0.0000 0.0000 61.8970 32.9482 176.7917 1076 V 3.9779 8.3577 113.9323 63.0938 31.1114 177.0634 1077 P 3.4949 0.0000 0.0000 64.5778 35.0591 177.2965 1078 D 4.5969 8.0812 116.9565 56.6802 41.1292 179.1432 1079 G 3.7449 8.1546 105.1904 47.9610 0.0000 175.0186 1080 F 4.4319 8.5750 125.0751 60.5358 39.4081 176.5210 1081 Y 4.3435 9.0054 119.4900 61.1387 38.6745 177.8490 1082 D 4.5829 8.8776 121.5137 56.8720 39.2697 177.9977 1083 Y 3.8718 8.4801 120.5191 60.6859 38.7152 178.2223 1084 F 4.5655 8.0050 118.1226 60.2117 38.8894 178.0884 1085 T 4.2551 8.1036 111.5258 64.6206 68.4100 177.7678 1086 K 3.9039 7.8136 126.4981 59.8979 31.8162 183.9383 1087 R 3.9323 6.9206 117.2216 57.2917 31.0992 177.0967 1088 F 4.7311 8.0627 117.3531 54.3131 40.0372 173.0796 1089 P 4.4198 0.0000 0.0000 65.0174 31.6616 178.4579 1090 N 4.7696 7.9939 114.1602 53.3186 38.7474 176.4769 1091 L 3.9619 8.0989 122.0788 58.2128 42.0960 178.8371 1092 L 4.1567 7.9150 119.5989 58.4271 42.2466 178.6732 1093 I 3.8341 7.9476 118.2513 63.7684 38.0412 177.9445 1094 G 3.8076 8.4363 106.9610 47.9812 0.0000 175.9792 1095 V 3.8034 8.2041 121.2280 65.5517 31.4724 177.4546 1096 Y 4.3072 8.6426 119.7586 61.0962 38.5973 177.8722 1097 M 3.9032 8.3552 119.6784 58.6393 32.0711 178.9222 1098 I 3.4839 7.4679 119.2440 64.1526 37.0883 178.7818 1099 V 3.5898 8.0831 119.5658 65.8497 31.2507 178.0576 1100 K 4.0292 8.4390 120.7832 59.1698 31.9266 178.9268 1101 E 4.2132 7.6269 117.7183 60.5625 30.1878 182.5246 1102 N 5.0428 8.0400 114.9756 52.7510 39.9785 175.4519 1103 L 4.9103 8.0716 120.9691 54.2931 42.6647 177.9317 1104 S 4.5284 8.3251 115.3885 60.4767 63.8024 173.5677 1105 D 4.6938 7.9591 120.0535 53.5326 39.7083 176.5539 1106 D 4.7353 8.0174 121.1523 54.0999 41.0860 176.5943 1107 Q 3.9780 8.5752 125.5560 59.1136 29.0305 180.3293 1108 I 3.9832 7.9896 118.2116 64.5105 37.2364 178.3493 1109 L 4.5854 8.0340 118.6971 57.1120 41.5919 179.2553 1110 R 4.2328 9.9718 118.6725 59.5875 30.1662 178.6145 1111 E 4.1542 7.9219 118.1687 58.8775 29.1794 179.5720 1112 F 3.9223 8.2127 116.3729 60.3416 39.2258 177.4497 1113 L 4.3621 8.3030 117.6875 57.3569 41.5085 177.7397 1114 Y 4.9684 8.1438 112.7043 57.3390 39.0978 175.9194 1115 S 4.2434 8.0103 120.3798 58.9399 63.1003 174.3385 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 4.71 0.00 2.67 2.64 0.00 0.00 6.90 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 9.04 4.45 0.00 2.38 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 0.00 0.00 0.00 667 E 7.88 4.63 0.00 1.75 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 1.91 2.12 0.00 668 Q 8.36 4.18 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.46 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 669 S 7.79 4.86 0.00 3.59 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 670 L 7.41 4.76 0.00 1.50 1.54 0.28 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 671 K 9.33 4.11 0.00 1.73 1.63 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.25 7.81 672 N 8.93 4.69 0.00 2.75 2.75 0.00 0.00 7.21 7.11 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 0.00 673 L 7.85 4.78 0.00 1.39 1.53 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 674 V 8.59 4.15 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 0.90 0.00 0.00 0.89 0.00 0.00 675 V 8.09 4.45 1.80 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 0.52 0.00 0.00 0.68 0.00 0.00 676 S 8.77 4.61 0.00 3.92 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 0.00 677 E 8.71 4.26 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 2.21 1.86 0.00 678 K 7.91 4.23 0.00 1.83 1.77 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.44 7.81 679 I 8.22 4.33 1.66 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 0.84 0.79 0.13 0.00 0.00 680 L 8.92 4.07 0.00 1.49 1.65 0.93 0.87 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 0.00 681 G 7.04 3.84 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 0.00 0.00 0.00 682 Y 8.68 5.04 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 0.00 683 G 9.01 4.10 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 0.00 0.00 0.00 684 S 8.45 4.11 0.00 3.64 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 685 S 8.81 3.66 0.00 3.45 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 686 G 7.88 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 687 T 7.33 4.62 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 1.23 0.00 0.00 688 V 8.40 4.45 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 0.17 0.00 0.00 1.00 0.00 0.00 689 V 8.49 4.62 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 0.88 0.00 0.00 0.86 0.00 0.00 690 F 9.19 5.17 0.00 3.02 3.08 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 0.00 0.00 0.00 691 Q 8.93 4.41 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 692 G 8.50 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 5.21 0.00 3.92 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 0.00 694 F 9.25 4.98 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 695 Q 9.71 3.49 0.00 1.49 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.28 0.00 0.00 0.00 0.00 0.00 1.90 1.19 0.00 696 G 8.45 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 0.00 0.00 0.00 697 R 7.44 3.83 0.00 1.83 1.64 0.00 3.04 0.00 0.00 2.93 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 698 P 0.00 4.87 0.00 1.95 1.99 0.00 3.59 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 2.03 2.10 0.00 699 V 8.83 4.75 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 0.50 0.00 0.00 1.00 0.00 0.00 700 A 8.71 4.81 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 701 V 8.86 4.49 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.99 0.00 0.00 702 K 9.41 4.75 0.00 1.87 1.85 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 703 R 9.02 4.49 0.00 1.99 1.95 0.00 2.21 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 704 M 8.51 4.95 0.00 2.07 1.97 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 2.51 2.45 0.00 705 L 8.75 4.40 0.00 2.03 1.60 1.13 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 706 I 8.32 3.76 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 8.00 4.45 0.00 2.69 2.62 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 0.00 708 F 8.24 4.79 0.00 3.24 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 709 C 7.97 4.24 0.00 2.88 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 0.00 710 D 8.19 4.64 0.00 2.68 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 0.00 711 I 7.94 4.11 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 1.57 0.54 0.91 0.00 0.00 712 A 7.72 4.30 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 0.00 713 L 7.82 4.18 0.00 1.62 1.70 0.92 1.28 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 0.00 714 M 7.73 4.37 0.00 2.09 2.10 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 2.53 2.41 0.00 715 E 7.58 4.30 0.00 2.19 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 0.00 2.21 2.47 0.00 716 I 8.25 3.20 1.68 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.45 0.45 0.00 0.00 717 K 7.91 3.91 0.00 1.78 1.82 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 718 L 7.59 4.26 0.00 1.78 1.86 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 719 L 7.84 3.47 0.00 1.50 1.39 0.68 -0.50 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 0.00 720 T 7.69 3.87 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 721 E 7.77 4.08 0.00 2.10 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 2.33 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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 8.85 4.86 0.00 4.01 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1026 T 7.59 3.91 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 1.15 0.00 0.00 1027 V 7.43 3.70 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 0.78 0.00 0.00 0.93 0.00 0.00 1028 K 7.78 4.10 0.00 1.49 1.08 0.00 1.02 0.00 0.00 1.35 0.00 0.00 2.80 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.26 0.89 7.81 1029 F 7.32 4.63 0.00 2.99 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.77 0.00 2.68 2.55 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 1031 K 8.61 4.37 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.07 7.81 1032 T 7.96 4.16 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 1.24 0.00 0.00 1033 F 8.57 4.19 0.00 3.30 3.42 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 1034 M 8.15 4.40 0.00 2.12 2.05 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 2.52 2.42 0.00 1035 D 7.78 4.60 0.00 2.73 2.62 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 1036 N 7.85 4.76 0.00 2.90 3.01 0.00 0.00 7.04 6.55 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 1037 L 7.22 3.92 0.00 1.87 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 1038 E 8.24 4.48 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 1039 R 7.38 4.37 0.00 2.02 1.88 0.00 3.23 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 *1040 Y 7.50 4.27 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1041 R 7.90 4.74 0.00 1.76 1.60 0.00 3.07 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.50 0.00 1042 K 8.21 4.33 0.00 1.82 1.57 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.34 1.02 7.81 1043 Y 8.07 5.08 0.00 2.94 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 1044 H 9.00 4.40 0.00 3.32 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1045 S 8.80 3.77 0.00 3.87 3.85 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 1046 S 7.88 4.89 0.00 4.08 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 1047 K 7.89 4.37 0.00 2.05 1.86 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.54 7.81 1048 L 8.78 4.14 0.00 1.86 1.77 0.85 1.18 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 1049 M 8.10 3.88 0.00 2.06 2.07 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 2.61 2.21 0.00 1050 D 8.08 4.65 0.00 3.23 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1051 L 7.00 2.44 0.00 0.27 1.12 0.43 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 1052 L 7.50 3.73 0.00 1.86 1.60 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 1053 R 8.28 3.90 0.00 1.90 2.05 0.00 3.31 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 1054 A 8.52 4.11 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 1055 L 7.80 3.62 0.00 1.11 1.60 0.28 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 1056 R 7.83 3.94 0.00 1.87 2.07 0.00 3.31 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 1057 N 8.58 4.45 0.00 2.90 2.98 0.00 0.00 7.10 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 1058 K 8.04 4.15 0.00 2.49 2.40 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.72 1.93 7.81 1059 Y 8.08 3.82 0.00 2.74 3.07 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 0.00 1060 H 8.65 4.20 0.00 3.15 3.27 0.00 5.88 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1061 H 8.41 5.06 0.00 3.37 3.38 0.00 5.82 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1062 F 8.00 4.15 0.00 3.20 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1063 M 8.10 4.09 0.00 2.00 2.09 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 2.59 2.63 0.00 1064 D 7.80 4.49 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1065 L 7.04 4.05 0.00 1.35 1.38 0.56 0.84 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 1066 P 0.00 4.40 0.00 2.11 1.93 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 1067 E 8.86 3.95 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 1.98 0.00 1068 D 8.01 4.63 0.00 2.87 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 1069 I 7.67 3.78 1.80 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 1.56 0.94 0.91 0.00 0.00 1070 A 7.68 3.64 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1071 E 8.12 4.11 0.00 2.22 2.23 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 2.35 2.46 0.00 1072 L 7.51 4.21 0.00 1.84 1.87 1.01 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 1073 M 8.51 4.14 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.81 0.00 1074 G 7.95 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1075 P 0.00 4.74 0.00 2.29 2.28 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 1076 V 8.36 3.98 1.88 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 -0.15 0.00 0.00 0.79 0.00 0.00 1077 P 0.00 3.49 0.00 2.31 2.34 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 1078 D 8.08 4.60 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1079 G 8.15 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 8.57 4.43 0.00 3.25 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1081 Y 9.01 4.34 0.00 3.35 3.39 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 1082 D 8.88 4.58 0.00 2.99 2.78 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 0.00 0.00 0.00 1083 Y 8.48 3.87 0.00 3.05 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 1084 F 8.00 4.57 0.00 3.17 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 1085 T 8.10 4.26 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 1086 K 7.81 3.90 0.00 1.88 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.35 7.81 1087 R 6.92 3.93 0.00 1.47 0.80 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.02 0.00 1088 F 8.06 4.73 0.00 3.05 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1089 P 0.00 4.42 0.00 2.16 2.26 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.86 0.00 1090 N 7.99 4.77 0.00 2.44 2.19 0.00 0.00 6.79 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 8.10 3.96 0.00 1.97 1.78 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 1092 L 7.91 4.16 0.00 1.99 1.79 0.70 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 1093 I 7.95 3.83 1.91 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 1.64 1.37 1.20 0.00 0.00 1094 G 8.44 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 0.00 0.00 0.00 1095 V 8.20 3.80 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 1.26 0.00 0.00 1.18 0.00 0.00 1096 Y 8.64 4.31 0.00 3.11 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 1097 M 8.36 3.90 0.00 1.97 2.21 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 2.79 2.58 0.00 1098 I 7.47 3.48 1.49 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.57 -0.33 0.00 0.00 1099 V 8.08 3.59 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.12 0.00 0.00 1100 K 8.44 4.03 0.00 1.08 1.52 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.19 7.81 1101 E 7.63 4.21 0.00 2.08 1.83 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 2.23 2.21 0.00 1102 N 8.04 5.04 0.00 2.71 2.87 0.00 0.00 6.92 7.46 0.00 0.00 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 8.07 4.91 0.00 1.74 1.85 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 1104 S 8.33 4.53 0.00 4.20 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1105 D 7.96 4.69 0.00 2.82 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 1106 D 8.02 4.74 0.00 2.99 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 1107 Q 8.58 3.98 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 1108 I 7.99 3.98 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.19 1.05 0.00 0.00 1109 L 8.03 4.59 0.00 1.98 1.93 0.88 0.94 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 1110 R 9.97 4.23 0.00 2.15 2.18 0.00 3.72 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 1111 E 7.92 4.15 0.00 1.97 1.80 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 2.62 2.32 0.00 1112 F 8.21 3.92 0.00 3.39 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1113 L 8.30 4.36 0.00 1.50 0.36 1.24 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 1114 Y 8.14 4.97 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 1115 S 8.01 4.24 0.00 4.04 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 * Residues marked with a * may have inaccurate shift predictions.