NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 801 M 4.4100 8.1627 120.2254 55.2169 34.5815 173.0706 802 K 4.8737 9.1804 121.4626 53.9493 34.5553 172.8742 803 I 4.9699 9.3078 129.9188 59.0763 41.2675 173.4171 804 A 5.2628 9.0150 130.3905 50.1550 22.6900 174.8566 805 I 5.1366 8.9208 121.4597 57.9851 40.4095 173.8192 806 P 4.9144 0.0000 0.0000 60.8350 33.5606 175.2409 807 K 4.1530 8.9103 121.5597 55.9675 32.6428 176.0996 808 E 4.2000 8.5702 124.6862 56.3448 29.9106 176.9865 809 R 4.4435 8.3643 121.5764 56.2889 31.8520 177.0530 810 R 4.0899 7.6845 117.9263 54.7325 30.7529 174.0952 811 P 4.2850 0.0000 0.0000 64.7357 31.2003 176.9382 812 G 3.8151 8.8973 110.3345 45.3168 0.0000 172.8105 813 E 4.0442 7.7618 120.3328 56.1965 28.9642 175.7681 814 D 4.7333 8.8003 126.2904 54.1137 41.7277 177.2444 815 R 4.3342 8.0569 119.3025 55.4658 31.0636 176.0351 816 V 4.3645 8.0861 117.7277 60.3050 34.6421 175.4031 817 A 4.4321 8.3338 125.9639 51.0191 18.0778 176.0162 818 I 4.4308 7.2352 119.3669 60.1818 41.3320 173.1245 819 S 4.6903 8.0359 116.5720 55.5512 66.5662 173.5893 820 P 4.2361 0.0000 0.0000 66.0111 31.2597 178.6908 821 E 3.9867 8.2082 116.6762 59.6508 29.3758 179.5905 822 V 3.7165 7.7606 117.6853 65.7259 31.5203 178.2266 823 V 3.5569 8.0080 118.4550 65.8777 31.3603 178.0698 824 K 3.9555 8.1194 118.1505 59.5271 31.7752 179.4751 825 K 4.0232 7.9918 118.2232 59.3877 31.9831 179.4632 826 L 3.9727 8.1436 119.4081 57.8306 41.5625 179.6686 827 V 4.1008 7.5106 119.7107 65.5220 31.2173 178.3403 828 G 3.7010 8.0068 104.3474 47.2248 0.0000 174.7897 829 L 4.4358 7.5017 118.8490 54.9672 42.0190 177.5340 830 G 3.9711 7.9713 107.6189 44.8289 0.0000 173.8815 831 F 4.4839 8.4512 118.7699 56.9798 40.7602 174.3903 832 E 4.6133 9.2764 123.6860 54.9115 31.0601 174.6993 833 V 4.6233 8.2995 127.9074 61.5058 33.5754 174.2864 834 I 5.0460 8.6260 128.7583 59.4694 40.2662 174.6971 835 V 4.8429 8.5230 126.4403 60.6107 34.8544 174.2921 836 E 4.6015 8.9018 129.2966 55.8774 30.6646 175.9399 837 Q 4.3618 9.0418 125.8733 57.8357 29.0443 177.3459 838 G 3.8902 10.2041 110.1447 46.0820 0.0000 175.1783 839 A 4.1460 7.9601 122.0582 54.2745 18.5028 179.2401 840 G 3.9375 7.7532 103.1361 43.7268 0.0000 175.2916 841 V 3.6855 7.5497 121.7200 66.3733 31.2620 178.3338 842 G 3.6766 8.1458 102.5373 46.8672 0.0000 173.6517 843 A 4.4801 7.5992 121.1433 51.2932 19.2267 176.6194 844 S 3.6940 7.8439 111.4053 60.1618 60.6991 172.2965 845 I 4.3188 7.8252 122.3760 59.7054 38.0399 175.8679 846 T 4.1823 8.1306 116.5528 61.0422 71.0804 175.0946 847 D 4.3774 8.5641 122.1187 57.8504 40.8272 178.8353 848 D 4.3720 8.1418 118.5754 57.3074 40.8529 178.6024 849 A 3.9918 8.1002 121.3087 55.0781 18.3745 179.7526 850 L 3.9500 7.8497 117.0972 58.2143 41.7223 179.8095 851 T 4.4357 8.5685 117.2130 66.1707 68.1715 176.5206 852 A 4.0111 8.1304 121.5861 55.0827 18.5049 179.2231 853 A 4.1495 7.6952 117.7544 52.9902 18.5505 177.7281 854 G 3.7261 7.4321 103.5917 45.0830 0.0000 173.9944 855 A 4.7454 8.2059 123.2144 51.2522 21.1023 176.1905 856 T 4.8243 8.7519 109.3708 60.0220 71.4926 173.4303 857 I 4.7618 8.4212 125.5120 60.4626 38.6231 174.7981 858 A 4.6812 8.8251 128.8741 50.3362 20.7060 178.3511 859 S 4.1540 8.8998 118.1237 60.8700 63.4906 175.0916 860 T 4.7391 7.4839 108.7573 58.8156 72.9090 174.7563 861 A 4.0476 8.4627 122.8071 55.2327 18.4400 179.6922 862 A 3.9455 7.9933 118.7123 55.7305 18.2941 179.8506 863 Q 3.9786 7.9522 114.6553 58.7441 28.7556 178.6756 864 A 4.1282 7.7811 121.3574 55.1825 18.8389 179.3297 865 L 4.1860 8.6388 116.6259 58.0205 41.6344 179.5618 866 S 3.4163 7.6522 107.5310 58.2341 63.3939 173.1217 867 Q 4.5459 7.2636 121.9240 55.4970 29.7956 175.8634 868 A 4.1900 7.7759 119.3345 52.0025 19.0134 178.2685 869 D 4.7423 9.1230 121.8839 55.5199 42.7460 176.8098 870 V 5.0082 7.7383 117.5933 60.9494 35.2855 174.3476 871 V 4.9544 9.3812 126.9999 60.9284 34.4828 173.9294 872 W 5.6199 9.0714 127.1830 55.1695 31.6425 174.9654 873 K 4.5511 9.0151 122.4165 55.3913 36.7069 176.9886 874 V 3.2135 9.5680 120.9091 64.8402 31.7399 175.7610 875 Q 5.1398 8.2982 118.9473 53.5986 31.0034 175.3161 876 R 4.1859 8.5879 117.7256 56.0645 29.7835 174.7545 877 P 4.6430 0.0000 0.0000 63.3714 32.3390 175.6780 878 M 4.7232 9.7274 121.6992 55.3054 33.7758 175.8442 879 T 4.7416 9.0863 112.2488 59.9070 71.6012 175.4137 880 A 4.0998 8.7405 124.7424 55.6034 18.3649 179.8090 881 E 4.1085 8.1696 113.3810 58.6105 29.6675 177.3594 882 E 4.5409 8.5849 117.3574 55.4917 31.5045 174.8869 883 G 4.0620 8.0107 108.7172 45.2430 0.0000 176.6760 884 T 4.1533 9.0046 108.1736 60.8234 70.3736 175.5626 885 D 4.5638 8.4167 126.0454 53.2496 40.0627 175.7616 886 E 4.1383 9.0960 126.3234 58.6438 29.5643 178.8494 887 V 3.5842 7.8731 117.9706 65.9761 31.4193 177.7503 888 A 4.0925 8.8261 119.5449 54.8486 18.2178 179.1463 889 L 4.1256 7.6188 116.5910 56.0758 42.1152 177.5157 890 I 4.0723 7.0515 120.2308 59.9927 37.9735 175.8976 891 K 4.0267 8.6267 125.6058 56.2959 32.0580 175.9186 892 E 3.7645 7.5067 117.9422 59.9703 29.9557 177.3044 893 G 4.0067 7.8312 108.8414 45.4310 0.0000 173.3866 894 A 4.5001 7.7062 122.0836 51.3285 20.5112 177.1868 895 V 4.8677 8.8612 119.4243 61.3025 33.8674 174.2220 896 L 5.4089 9.4780 129.9972 53.6158 45.0646 174.7773 897 M 5.4915 9.0449 125.3071 54.1039 35.8408 174.4677 898 C 5.1488 8.1115 117.0585 58.4824 34.0127 172.4679 899 H 4.8831 9.2495 119.8696 55.6765 28.5234 174.8306 900 L 4.1776 8.9962 127.5534 54.9358 42.2949 176.4357 901 G 4.0706 8.4056 106.0680 46.8297 0.0000 175.5068 902 A 3.9940 8.6686 123.7210 54.9042 18.6596 180.2177 903 L 4.6536 7.7264 113.7475 55.9637 40.7338 177.7594 904 T 4.6228 7.6391 105.1142 62.9688 72.0554 172.6510 905 N 5.0673 7.8003 118.8405 52.6515 42.5270 173.7289 906 R 4.4750 8.4482 119.5588 56.6535 33.7426 175.6891 907 P 4.2886 0.0000 0.0000 65.7911 31.0532 178.8968 908 V 3.6393 8.0484 117.6392 64.7864 31.5398 178.6879 909 V 3.5445 7.6520 118.6475 65.4623 31.4410 177.4433 910 E 3.8990 8.8794 119.2344 59.2615 29.2593 178.6886 911 A 4.0207 7.9571 120.7352 55.1278 18.4174 179.6558 912 L 3.8652 8.2180 117.7360 58.2119 41.6511 179.8061 913 T 3.8988 8.0970 116.0236 66.4329 68.1840 176.7885 914 K 4.0688 7.9461 119.3284 59.0950 32.2686 177.8366 915 R 4.4194 7.3810 117.6912 54.9259 30.2565 176.3044 916 K 3.6800 7.9305 116.8669 57.3836 30.3280 174.5522 917 I 4.3525 7.5662 118.2945 60.9925 38.4574 176.3279 918 T 4.4600 8.7604 123.7066 62.8107 69.6569 173.4792 919 A 5.0792 8.5511 129.0059 50.1912 21.8175 174.5450 920 Y 4.9755 9.1890 120.2806 56.1453 40.5073 175.6061 921 A 4.6175 9.2268 129.5303 51.0642 17.6753 177.4045 922 M 3.6722 8.6175 123.2904 58.8975 32.1917 179.0123 923 E 3.9802 7.8546 114.6085 57.8444 30.0050 177.1271 924 L 4.3195 7.6678 119.2007 54.3473 41.9265 176.0651 925 M 3.7450 7.3485 118.9907 55.2577 32.2803 174.3964 926 P 4.2839 0.0000 0.0000 63.1517 32.4429 177.5724 927 R 4.2996 8.4106 122.9516 55.9123 29.0868 176.5169 928 I 4.4536 7.1524 111.8552 58.8583 40.4143 176.6743 929 S 4.0714 8.9215 118.1844 61.9252 61.8901 176.7750 930 R 4.1171 7.9734 115.3342 57.9039 29.6677 177.1604 931 A 4.4879 8.1225 121.5952 52.1289 19.2112 178.4429 932 Q 3.9350 7.7833 119.3180 59.2504 28.7940 179.1344 933 S 4.2873 8.1043 112.7301 60.2610 63.2456 174.8188 934 M 4.4769 7.7538 119.4146 55.1425 33.0809 175.8973 935 D 4.4082 7.7396 119.8763 53.3166 41.7336 176.4554 936 I 3.6886 7.8197 123.9672 62.9949 37.7101 177.9587 937 L 3.9769 7.7044 120.6463 57.6480 41.5128 179.2151 938 S 4.0519 8.7501 113.6548 61.4352 62.5008 176.2666 939 S 4.1330 7.8142 116.5306 61.6049 62.6166 176.4993 940 Q 4.0956 8.2311 121.8103 58.6138 28.5556 178.6247 941 S 4.2178 8.3349 115.3714 61.1450 62.8735 176.0728 942 N 4.2891 8.2648 120.8618 56.7555 38.6656 176.9144 943 L 4.0904 7.6293 119.3796 57.6540 41.6639 179.3712 944 A 4.1431 8.2055 121.1379 54.9092 18.4250 179.9159 945 G 3.6049 8.4290 104.6164 48.0548 0.0000 175.3310 946 Y 4.1642 7.9227 121.8560 60.5345 38.9181 178.1138 947 R 3.6748 8.5336 119.5781 59.1580 30.0945 178.2192 948 A 4.0143 8.1041 120.8115 55.1334 18.2718 179.8229 949 V 3.5683 7.3249 115.4905 66.0439 31.6066 178.3156 950 I 3.4412 7.1881 119.2287 64.5433 37.0374 178.2473 951 D 4.5332 8.5965 120.1713 56.9911 40.5406 179.1644 952 G 3.6244 8.1282 106.2086 47.9119 0.0000 175.7007 953 A 4.1330 7.8777 122.7359 54.7778 18.3061 178.7457 954 Y 4.1210 7.8872 117.4015 60.7865 38.9984 177.6168 955 E 4.1910 8.1101 117.0055 56.7609 30.2379 176.7023 956 F 4.7405 7.5293 121.2637 57.9133 40.0609 174.6333 957 A 4.3272 8.1698 129.2881 52.0332 18.5761 176.5552 958 R 4.4182 6.1777 114.8283 54.6992 34.0790 174.4484 959 A 4.6807 8.1681 121.7268 51.1680 20.3989 177.8194 960 F 4.4217 9.2099 121.1280 60.2160 39.3197 174.2503 961 P 4.7981 0.0000 0.0000 62.5779 32.2069 175.3612 962 M 4.4490 8.5751 121.6525 55.9237 33.1790 175.1427 963 M 4.7305 9.2350 125.4691 53.8891 35.6194 174.4509 964 M 4.6998 8.8674 124.3291 54.1224 33.1511 175.2787 965 T 4.6109 8.3241 113.4873 58.9296 71.8673 175.3104 966 A 3.9770 8.5015 123.6068 54.9208 18.3867 178.5319 967 A 4.1267 7.7611 117.3198 52.8570 19.2096 176.5735 968 G 4.2581 6.9348 101.8028 43.1468 0.0000 172.1579 969 T 4.8742 7.9868 115.3043 60.6770 68.7132 173.7410 970 V 4.3869 8.9549 129.8838 60.5496 33.0560 173.5347 971 P 4.8623 0.0000 0.0000 62.0868 32.1145 174.3445 972 P 4.8167 0.0000 0.0000 62.3629 32.7506 175.6793 973 A 4.3871 8.8986 122.9595 52.0365 19.9110 176.5809 974 R 4.8579 8.9674 119.6279 54.4709 32.4749 175.5869 975 V 4.7116 8.8182 124.2803 60.8391 34.8593 174.1218 976 L 4.9666 8.7280 128.3737 53.3699 45.0246 174.9854 977 V 4.6943 8.6692 127.8327 61.6354 33.4570 174.3863 978 F 4.9101 9.8959 127.6198 57.4367 41.1812 175.4048 979 G 4.0797 9.4567 113.5359 46.7028 0.0000 173.9635 980 V 4.6332 9.1554 130.6133 61.3842 31.3419 175.4057 981 G 4.1696 7.2833 111.6975 44.1958 0.0000 172.3736 982 V 3.6108 8.3866 118.2514 66.2535 31.6953 179.0922 983 A 4.2732 8.0529 120.1377 55.0352 18.2552 179.7030 984 G 3.9292 7.9714 105.2432 47.3826 0.0000 175.8270 985 L 4.0251 8.0637 121.3920 57.7040 41.6725 179.4372 986 Q 3.9836 8.0302 119.3779 58.9425 28.8859 177.9863 987 A 4.1540 8.1860 121.9697 55.1320 18.3978 179.6017 988 I 3.6366 8.0384 118.1529 64.5392 37.2702 178.4217 989 A 4.0346 8.2057 121.5963 55.7339 18.2983 179.9024 990 T 3.9874 8.6885 114.2808 66.6239 68.5387 177.0663 991 A 4.2744 8.4788 123.1767 55.0780 18.2946 179.8943 992 K 4.0216 8.3795 117.2620 59.5394 31.8859 179.6511 993 R 3.9984 7.8576 117.5176 59.3353 30.1624 178.4437 994 L 4.4149 7.7389 114.7870 54.9781 41.5742 177.7975 995 G 3.8705 8.2142 107.2600 45.6597 0.0000 173.7711 996 A 4.3954 7.8376 120.8225 51.0837 20.0114 177.8840 997 V 3.9990 8.2596 119.7498 61.9894 33.0876 174.9795 998 V 4.8255 8.3793 127.3961 61.4333 34.1192 174.0949 999 M 5.2070 9.1873 126.9346 53.9225 35.4805 174.6135 1000 A 4.9445 8.3491 120.7259 51.1671 23.3597 175.3120 1001 T 4.1977 8.3858 114.1582 60.4175 71.1392 172.2145 1002 D 5.0089 8.2395 125.6362 52.7962 43.9059 175.3120 1003 V 3.7556 8.7874 124.0583 64.1277 31.5860 176.5989 1004 R 4.4029 9.0434 118.1901 54.4899 30.4798 177.1201 1005 A 4.0992 8.6387 124.3249 54.0171 18.2532 178.8133 1006 A 3.9692 7.9117 118.5621 54.6364 18.6828 178.7675 1007 T 4.3234 7.4668 108.5338 61.8117 69.1765 176.5627 1008 K 2.7160 7.0969 123.7574 59.6565 32.0662 178.2883 1009 E 3.8996 7.8380 118.0094 59.3471 29.4066 179.3004 1010 Q 3.9554 7.8597 117.7379 58.8205 28.9123 178.6191 1011 V 3.7291 8.0258 119.5690 66.2306 31.5446 178.0221 1012 E 4.4806 8.3327 119.6677 58.8866 29.0257 179.1941 1013 S 4.0794 8.0738 112.5526 60.7867 62.4644 175.2329 1014 L 4.4788 7.4303 117.7856 54.3405 41.7744 177.3824 1015 G 3.9143 8.2919 108.0969 45.0437 0.0000 173.8975 1016 G 4.0454 8.0415 107.1548 45.2433 0.0000 173.1512 1017 K 4.9226 8.6706 120.4780 54.2365 34.4502 175.5185 1018 F 4.8184 8.8557 128.1925 57.7992 40.2757 174.7224 1019 I 4.0772 7.6758 128.1649 61.1230 37.3008 175.5666 1020 T 4.7973 8.2626 115.9807 59.8622 72.8018 174.6687 1021 V 4.0715 7.9000 120.1159 61.4163 30.8924 177.3506 *1045 K 4.3321 8.6766 122.7162 57.4465 33.9356 178.1958 1046 K 4.0088 7.8625 118.7986 59.3493 32.0486 178.4247 1047 Q 3.9460 8.0461 119.3963 58.9776 29.0472 177.7192 1048 A 3.9946 7.9080 121.4196 55.1713 18.3266 179.3723 1049 E 3.8925 7.8742 116.3181 59.4216 29.5988 179.3342 1050 A 3.9506 7.8044 120.3402 55.3710 18.3830 180.1960 1051 V 3.6174 8.0113 111.0355 64.1671 31.5337 178.6595 1052 L 3.9476 7.8875 120.4622 57.9037 41.7189 178.6310 1053 K 3.8310 7.9915 118.7881 59.7046 32.2780 178.0802 1054 E 4.1408 7.8055 117.0650 58.8135 29.7156 178.6380 1055 L 4.0748 8.1080 120.5242 57.5447 42.2753 178.9967 1056 V 3.8829 7.7293 110.0669 62.8108 31.5211 176.6564 1057 K 4.4558 7.7537 117.7708 56.2843 33.1769 176.6640 1058 T 4.0960 7.5784 117.3363 63.6175 69.3730 174.6463 1059 D 4.5177 8.9717 125.6683 55.5122 43.0722 176.3987 1060 I 4.8199 7.3326 119.4439 59.3419 40.3118 174.3377 1061 A 5.2504 9.0839 129.9740 50.1460 21.6578 175.0975 1062 I 5.0998 8.8934 123.3941 59.6492 40.6199 174.6191 1063 T 5.2295 8.9963 118.1523 60.2443 70.9873 174.8981 1064 T 4.6962 8.8487 111.7919 60.9799 70.8765 173.4954 1065 A 4.2486 8.1672 124.9852 52.2478 18.7233 177.3618 1066 L 4.7565 8.5393 121.8396 53.0164 45.2476 176.4995 1067 I 4.3472 7.9734 121.1989 58.6654 39.3428 172.8076 1068 P 4.2385 0.0000 0.0000 63.9438 31.3704 176.5882 1069 G 3.7158 9.5556 113.6283 45.6302 0.0000 172.1599 1070 K 4.3275 7.2694 113.7936 54.5891 36.9409 174.1117 1071 P 4.6822 0.0000 0.0000 62.3598 32.1212 176.2729 1072 A 4.3072 8.6066 125.3262 51.0770 19.1688 176.0108 1073 P 4.3412 0.0000 0.0000 62.7628 32.8665 175.7709 1074 V 4.2065 8.3131 122.4977 62.4887 31.9400 175.3712 1075 L 4.4711 8.7809 127.1424 54.6823 43.6327 176.4221 1076 I 4.1696 7.1454 118.4543 58.7843 38.9105 175.0523 1077 T 4.3427 8.0177 116.4609 60.7904 71.1429 174.8656 1078 E 3.9099 8.5884 121.7999 59.3158 29.3795 178.3944 1079 E 3.8800 8.0720 117.9923 59.6539 30.0422 178.1679 1080 M 4.1635 7.7307 118.6450 58.5090 32.0307 178.8821 1081 V 3.6150 7.7319 118.5219 66.1621 31.4972 177.9749 1082 T 3.8789 7.8091 107.8376 63.5847 68.6126 175.4684 1083 K 4.3528 7.6399 119.7554 55.9484 32.8210 176.4213 1084 M 4.3995 7.2843 119.6238 54.3494 33.1013 175.7959 1085 K 4.4177 8.1739 119.1530 54.9676 34.2346 174.6378 1086 P 4.4913 0.0000 0.0000 64.6657 31.5862 176.9035 1087 G 4.0644 8.9563 111.4416 45.0876 0.0000 173.8131 1088 S 4.6732 7.8374 115.6829 58.3655 64.5845 173.2714 1089 V 4.9950 8.9763 120.6842 61.2971 35.1582 174.1692 1090 I 4.9938 9.0659 127.2240 59.6014 40.5311 174.3617 1091 I 4.6131 9.0335 128.5993 59.9808 39.0158 174.4552 1092 D 5.4525 8.5226 128.9181 51.8018 40.7680 176.8075 1093 L 4.1462 8.8712 124.2601 56.0327 42.0888 177.9917 1094 A 4.6868 7.9588 121.4674 51.6473 19.7546 178.6207 1095 V 3.6097 7.6152 121.3195 66.0338 31.2509 178.5836 1096 E 3.9952 8.2532 117.9705 58.0901 29.5671 177.2621 1097 A 4.6112 7.7228 120.9884 52.1335 19.3882 177.5272 1098 G 3.8541 8.3558 108.9589 45.8279 0.0000 175.4892 1099 G 4.1039 8.1032 106.5863 45.9682 0.0000 173.3183 1100 N 5.2712 9.0313 117.6093 53.4878 40.1905 174.1976 1101 C 5.4705 8.5144 120.3903 55.4531 34.1786 172.5382 1102 P 4.5384 0.0000 0.0000 64.2783 30.8084 176.7875 1103 L 4.4473 7.8625 119.4985 54.9063 42.5657 176.6439 1104 S 4.5111 7.6321 113.8880 57.4407 64.3030 173.4771 1105 E 4.6429 8.3020 120.9950 53.5879 32.4598 173.6871 1106 P 4.4602 0.0000 0.0000 64.4116 31.7032 176.7248 1107 G 3.9569 9.0455 110.4856 45.6933 0.0000 173.0206 1108 K 4.7339 7.9447 118.3664 54.3842 36.5654 175.2991 1109 I 4.7014 8.3224 122.4882 59.9254 38.7509 175.1870 1110 V 4.3588 8.7073 128.0738 61.0384 33.9827 174.5803 1111 V 4.9990 8.2737 126.4320 61.1685 33.3780 174.9488 1112 K 4.4929 8.8205 126.6801 56.4921 36.1691 176.0313 1113 H 4.1916 9.6388 118.7098 57.0003 26.3271 176.0729 1114 G 3.9275 8.3040 105.5556 45.5704 0.0000 173.4737 1115 V 4.7492 7.6767 120.4669 60.8699 34.2522 174.6604 1116 K 4.7392 8.7492 127.3758 56.0035 33.5452 175.9061 1117 I 4.7933 9.4122 127.7247 59.7114 39.1466 174.5940 1118 V 4.3174 8.8754 121.9688 59.5352 33.1815 176.8015 1119 G 4.3708 8.4016 111.5960 45.0504 0.0000 172.0634 1120 H 4.7204 7.9359 116.4032 55.9676 30.7229 175.1994 1121 T 3.7937 8.4857 113.3056 63.9585 68.5422 176.4025 1122 N 4.6666 8.6381 118.6664 52.2219 37.8393 174.5062 1123 V 3.6286 7.9134 122.7457 65.5887 32.0583 175.1694 1124 P 4.2563 0.0000 0.0000 65.7493 30.8556 178.1198 1125 S 4.1717 8.0941 111.9489 60.6481 62.3785 175.5659 1126 R 4.1713 7.9500 119.4930 57.3906 30.2031 176.5592 1127 V 4.4630 7.8081 119.4712 61.7023 32.5211 177.1491 1128 A 3.9055 8.3855 123.2123 55.1435 18.3396 180.6368 1129 A 4.2346 7.9895 116.8797 54.5849 19.1179 177.8830 1130 D 4.6259 7.9714 114.5492 55.8233 42.4399 178.6975 1131 A 4.1473 8.3389 121.5915 54.9970 18.1793 179.8674 1132 S 4.0763 8.1372 113.7217 61.3442 62.9663 175.0532 1133 P 4.2828 0.0000 0.0000 65.6904 31.0834 178.6849 1134 L 4.0078 7.6009 116.6524 57.6801 41.5199 179.3560 1135 F 3.8418 8.4952 120.4973 61.1447 39.3170 177.0762 1136 A 4.0181 8.4739 120.7304 55.1684 18.1042 179.8191 1137 K 3.9891 8.2011 117.0102 59.3538 32.1438 179.4367 1138 N 4.5913 7.9491 118.3874 55.6771 38.3839 177.4150 1139 L 3.5387 7.2486 120.2236 57.3987 41.3977 179.2281 1140 L 4.2730 7.6718 120.2222 58.5556 41.8440 178.8757 1141 N 4.3730 8.1986 115.2709 56.1510 38.4663 176.8878 1142 F 4.4036 7.7782 121.1179 60.7808 39.7256 176.8862 1143 L 3.9523 8.2633 120.0364 58.1582 42.0746 178.5486 1144 T 3.9347 8.1587 116.2495 66.6417 68.2805 174.4384 1145 P 4.3013 0.0000 0.0000 64.8987 31.4989 176.6653 1146 H 4.7589 8.0946 114.1721 55.1012 28.9665 174.5131 1147 V 4.8971 7.2024 118.8254 60.1252 34.2829 174.4261 1148 D 4.5050 7.6490 113.9418 53.3506 44.4809 176.6912 1149 K 4.0933 9.0041 123.8929 59.6265 33.1161 180.9895 1150 D 4.0449 8.7576 119.5526 56.5918 41.0850 176.7642 1151 T 4.4006 7.1742 107.4265 60.2377 69.4134 173.0266 1152 K 4.1929 7.9928 119.4419 57.5377 30.6822 174.2303 1153 T 4.6372 7.1482 113.2504 61.6463 73.6019 174.1787 1154 L 4.7567 8.4309 126.2495 54.1153 43.1595 176.1994 1155 V 4.2928 8.3846 126.6355 60.9380 33.1154 174.4010 1156 M 3.8176 8.5454 126.9124 54.4684 31.9628 176.9227 1157 K 4.1025 8.5668 124.7467 56.2498 32.4188 178.4196 1158 L 4.1467 8.5533 124.7343 57.4905 41.7557 178.1876 1159 E 4.1552 8.0505 116.1933 57.5278 30.0870 176.0995 1160 D 4.5808 8.0111 120.9882 53.3549 41.8749 176.8337 1161 E 4.2547 9.1065 126.8692 58.6702 29.6551 178.9218 1162 T 4.1387 8.7037 111.3954 64.0439 69.0268 177.0551 1163 V 3.9405 7.8245 121.8499 66.0278 31.7015 178.1872 1164 S 4.3737 8.1818 113.7204 61.4573 62.7112 176.4282 1165 G 3.7864 8.1661 110.9778 47.6450 0.0000 174.1852 1166 T 4.3358 7.6670 107.6154 61.9273 70.2395 174.0671 1167 C 4.5571 8.3265 123.5983 59.5700 31.8620 173.0631 1168 V 4.3630 8.3845 119.8564 62.2767 33.8598 175.5724 1169 T 5.1393 7.4733 113.6684 61.0562 70.8636 172.3999 1170 R 4.6744 9.1690 122.0639 55.8283 33.1798 174.1159 1171 D 4.3563 9.8344 118.6495 55.3796 39.7406 173.8645 1172 G 3.8665 8.8776 101.5341 45.2315 0.0000 173.7320 1173 A 4.6293 7.9744 121.6233 49.7381 22.0413 176.7181 1174 I 4.3218 8.4321 124.0623 61.5676 37.6078 176.4331 1175 V 4.3313 8.5752 117.1808 60.9616 33.2053 174.9371 1176 H 4.7860 7.9603 119.9375 53.0971 31.6908 171.4707 1177 P 4.3576 0.0000 0.0000 62.4141 31.7279 176.0825 1178 A 4.0971 8.4791 125.2928 53.0295 19.0178 175.6126 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 801 M 8.16 4.41 0.00 2.05 1.64 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 802 K 9.18 4.87 0.00 1.94 1.66 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.46 7.81 803 I 9.31 4.97 1.45 0.00 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.96 0.58 0.00 0.00 804 A 9.01 5.26 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 0.00 805 I 8.92 5.14 1.91 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 1.31 1.43 1.06 0.00 0.00 806 P 0.00 4.91 0.00 2.08 2.08 0.00 4.00 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 807 K 8.91 4.15 0.00 1.73 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.40 7.81 808 E 8.57 4.20 0.00 1.95 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 2.26 2.27 0.00 809 R 8.36 4.44 0.00 1.91 1.95 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 810 R 7.68 4.09 0.00 1.84 1.82 0.00 3.26 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 811 P 0.00 4.28 0.00 2.16 2.08 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 812 G 8.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 813 E 7.76 4.04 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 814 D 8.80 4.73 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 815 R 8.06 4.33 0.00 1.74 1.68 0.00 3.09 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 816 V 8.09 4.36 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 0.67 0.00 0.00 0.98 0.00 0.00 817 A 8.33 4.43 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 0.00 818 I 7.24 4.43 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 0.96 0.00 0.00 819 S 8.04 4.69 0.00 4.08 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 0.00 820 P 0.00 4.24 0.00 2.19 2.16 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 821 E 8.21 3.99 0.00 2.03 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 0.00 2.42 2.39 0.00 822 V 7.76 3.72 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.98 0.00 0.00 823 V 8.01 3.56 2.29 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 1.02 0.00 0.00 1.02 0.00 0.00 824 K 8.12 3.96 0.00 2.07 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.70 7.81 825 K 7.99 4.02 0.00 2.01 1.90 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.66 7.81 826 L 8.14 3.97 0.00 1.75 1.55 0.39 0.05 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 0.00 827 V 7.51 4.10 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 1.28 0.00 0.00 1.01 0.00 0.00 828 G 8.01 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 829 L 7.50 4.44 0.00 2.04 1.91 1.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 830 G 7.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 831 F 8.45 4.48 0.00 3.09 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 0.00 832 E 9.28 4.61 0.00 2.01 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 2.23 2.23 0.00 833 V 8.30 4.62 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 0.94 0.00 0.00 0.88 0.00 0.00 834 I 8.63 5.05 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 1.11 0.55 0.91 0.00 0.00 835 V 8.52 4.84 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.93 0.00 0.00 836 E 8.90 4.60 0.00 2.12 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 0.00 2.31 2.26 0.00 837 Q 9.04 4.36 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.58 0.00 0.00 0.00 0.00 0.00 2.63 2.34 0.00 838 G 10.20 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 0.00 0.00 0.00 839 A 7.96 4.15 1.44 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 0.00 0.00 840 G 7.75 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 0.00 0.00 0.00 841 V 7.55 3.69 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 0.99 0.00 0.00 0.96 0.00 0.00 842 G 8.15 3.68 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 0.00 843 A 7.60 4.48 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 0.00 844 S 7.84 3.69 0.00 4.05 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 0.00 845 I 7.83 4.32 1.88 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 1.36 1.22 0.92 0.00 0.00 846 T 8.13 4.18 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 0.00 847 D 8.56 4.38 0.00 2.71 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 0.00 848 D 8.14 4.37 0.00 2.68 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 0.00 849 A 8.10 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 L 7.85 3.95 0.00 1.92 1.73 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 851 T 8.57 4.44 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 852 A 8.13 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 853 A 7.70 4.15 1.45 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 0.00 0.00 854 G 7.43 3.73 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 0.00 0.00 0.00 855 A 8.21 4.75 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 856 T 8.75 4.82 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 0.00 857 I 8.42 4.76 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 1.28 0.84 0.91 0.00 0.00 858 A 8.83 4.68 1.27 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 0.00 0.00 859 S 8.90 4.15 0.00 4.11 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 0.00 860 T 7.48 4.74 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 0.00 861 A 8.46 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 862 A 7.99 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 863 Q 7.95 3.98 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 864 A 7.78 4.13 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 0.00 865 L 8.64 4.19 0.00 1.78 1.82 0.94 0.71 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 0.00 866 S 7.65 3.42 0.00 4.04 3.73 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 0.00 867 Q 7.26 4.55 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 868 A 7.78 4.19 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 0.00 869 D 9.12 4.74 0.00 2.66 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 0.00 870 V 7.74 5.01 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 1.05 0.00 0.00 1.11 0.00 0.00 871 V 9.38 4.95 2.18 0.00 0.00 0.00 0.00 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4.07 0.00 3.90 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 0.00 930 R 7.97 4.12 0.00 2.00 2.04 0.00 3.08 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 931 A 8.12 4.49 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 0.00 932 Q 7.78 3.94 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 933 S 8.10 4.29 0.00 4.18 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 0.00 934 M 7.75 4.48 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 935 D 7.74 4.41 0.00 2.89 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 936 I 7.82 3.69 1.49 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 -0.08 0.00 0.00 937 L 7.70 3.98 0.00 1.93 1.74 0.85 0.80 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0.00 2.66 2.62 0.00 987 A 8.19 4.15 1.44 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 0.00 0.00 988 I 8.04 3.64 2.08 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 1.47 0.75 0.94 0.00 0.00 989 A 8.21 4.03 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 990 T 8.69 3.99 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 991 A 8.48 4.27 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 0.00 992 K 8.38 4.02 0.00 2.02 1.90 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.70 7.81 993 R 7.86 4.00 0.00 2.09 2.06 0.00 3.25 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 994 L 7.74 4.41 0.00 1.88 1.92 0.52 0.92 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 0.00 995 G 8.21 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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 1076 I 7.15 4.17 1.61 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.59 0.77 0.00 0.00 1077 T 8.02 4.34 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1078 E 8.59 3.91 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 1079 E 8.07 3.88 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 1080 M 7.73 4.16 0.00 2.03 2.24 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 2.61 2.56 0.00 1081 V 7.73 3.61 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 1.08 0.00 0.00 0.94 0.00 0.00 1082 T 7.81 3.88 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 0.91 0.00 0.00 1083 K 7.64 4.35 0.00 1.90 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.56 7.81 1084 M 7.28 4.40 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.64 0.00 1085 K 8.17 4.42 0.00 1.95 1.94 0.00 1.56 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.49 7.81 1086 P 0.00 4.49 0.00 2.08 2.06 0.00 3.66 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 2.04 2.11 0.00 1087 G 8.96 4.06 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 0.00 0.00 0.00 1088 S 7.84 4.67 0.00 3.81 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 1089 V 8.98 5.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.04 0.00 0.00 1090 I 9.07 4.99 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.85 0.00 0.00 1091 I 9.03 4.61 1.89 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 1.13 1.29 0.93 0.00 0.00 1092 D 8.52 5.45 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1093 L 8.87 4.15 0.00 1.98 1.73 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 1094 A 7.96 4.69 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1095 V 7.62 3.61 2.20 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 0.75 0.00 0.00 0.93 0.00 0.00 1096 E 8.25 4.00 0.00 1.98 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 2.31 2.31 0.00 1097 A 7.72 4.61 1.26 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 0.00 0.00 0.00 0.00 0.00 1098 G 8.36 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 0.00 0.00 0.00 1099 G 8.10 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 1100 N 9.03 5.27 0.00 2.58 2.76 0.00 0.00 6.28 7.28 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 1101 C 8.51 5.47 0.00 2.86 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 1102 P 0.00 4.54 0.00 2.09 2.13 0.00 3.96 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 1103 L 7.86 4.45 0.00 1.61 1.72 0.92 0.91 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 1104 S 7.63 4.51 0.00 3.98 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1105 E 8.30 4.64 0.00 1.98 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 2.26 2.27 0.00 1106 P 0.00 4.46 0.00 2.03 2.01 0.00 3.76 0.00 0.00 3.65 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 1107 G 9.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1108 K 7.94 4.73 0.00 1.80 1.66 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.53 7.81 1109 I 8.32 4.70 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 0.93 0.00 0.00 1110 V 8.71 4.36 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 0.91 0.00 0.00 0.98 0.00 0.00 1111 V 8.27 5.00 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 0.88 0.00 0.00 0.94 0.00 0.00 1112 K 8.82 4.49 0.00 1.74 1.48 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.51 7.81 1113 H 9.64 4.19 0.00 3.28 3.35 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1114 G 8.30 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1115 V 7.68 4.75 2.20 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 1.00 0.00 0.00 0.95 0.00 0.00 1116 K 8.75 4.74 0.00 1.81 1.75 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 1117 I 9.41 4.79 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.99 0.88 0.00 0.00 1118 V 8.88 4.32 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.90 0.00 0.00 1119 G 8.40 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1120 H 7.94 4.72 0.00 3.16 3.23 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1121 T 8.49 3.79 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 1122 N 8.64 4.67 0.00 2.72 2.75 0.00 0.00 6.50 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1123 V 7.91 3.63 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 1.14 0.00 0.00 1.00 0.00 0.00 1124 P 0.00 4.26 0.00 2.43 2.33 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 1125 S 8.09 4.17 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1126 R 7.95 4.17 0.00 2.01 1.92 0.00 3.07 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 1127 V 7.81 4.46 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.09 0.00 0.00 1128 A 8.39 3.91 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 1129 A 7.99 4.23 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 1130 D 7.97 4.63 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1131 A 8.34 4.15 1.44 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 0.00 0.00 1132 S 8.14 4.08 0.00 3.94 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1133 P 0.00 4.28 0.00 2.16 2.12 0.00 3.69 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 2.22 2.20 0.00 1134 L 7.60 4.01 0.00 1.96 1.71 0.91 0.92 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 1135 F 8.50 3.84 0.00 3.31 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1136 A 8.47 4.02 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1137 K 8.20 3.99 0.00 2.02 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.50 7.81 1138 N 7.95 4.59 0.00 2.45 2.66 0.00 0.00 6.85 6.26 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 1139 L 7.25 3.54 0.00 0.41 0.13 0.41 -0.03 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 1140 L 7.67 4.27 0.00 2.07 1.89 1.07 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 1141 N 8.20 4.37 0.00 2.92 2.87 0.00 0.00 7.05 8.31 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 1142 F 7.78 4.40 0.00 2.85 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1143 L 8.26 3.95 0.00 2.06 1.94 1.03 0.73 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 1144 T 8.16 3.93 4.26 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 0.00 0.00 1.23 0.00 0.00 1145 P 0.00 4.30 0.00 1.67 1.98 0.00 3.71 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 1.93 2.12 0.00 1146 H 8.09 4.76 0.00 3.19 3.33 0.00 5.55 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1147 V 7.20 4.90 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 0.82 0.00 0.00 0.95 0.00 0.00 1148 D 7.65 4.51 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1149 K 9.00 4.09 0.00 1.89 2.01 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.38 7.81 1150 D 8.76 4.04 0.00 2.86 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 1151 T 7.17 4.40 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 1.21 0.00 0.00 1152 K 7.99 4.19 0.00 1.94 1.70 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.16 7.81 1153 T 7.15 4.64 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1154 L 8.43 4.76 0.00 1.78 1.66 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 1155 V 8.38 4.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.94 0.00 0.00 1156 M 8.55 3.82 0.00 1.77 2.07 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 1157 K 8.57 4.10 0.00 1.88 1.79 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.54 7.81 1158 L 8.55 4.15 0.00 1.64 1.77 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 1159 E 8.05 4.16 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 1160 D 8.01 4.58 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1161 E 9.11 4.25 0.00 2.23 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 2.40 2.19 0.00 1162 T 8.70 4.14 4.55 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 1.30 0.00 0.00 1163 V 7.82 3.94 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.73 0.00 0.00 1164 S 8.18 4.37 0.00 4.13 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 0.00 0.00 1165 G 8.17 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1166 T 7.67 4.34 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 1.09 0.00 0.00 1167 C 8.33 4.56 0.00 3.32 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1168 V 8.38 4.36 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 0.64 0.00 0.00 0.95 0.00 0.00 1169 T 7.47 5.14 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1170 R 9.17 4.67 0.00 1.87 1.87 0.00 2.98 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 1171 D 9.83 4.36 0.00 2.79 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 1172 G 8.88 3.87 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 0.00 0.00 0.00 1173 A 7.97 4.63 1.21 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 0.00 0.00 1174 I 8.43 4.32 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 1.41 0.57 0.92 0.00 0.00 1175 V 8.58 4.33 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.02 0.00 0.00 1176 H 7.96 4.79 0.00 3.31 3.13 0.00 5.73 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 1177 P 0.00 4.36 0.00 2.22 2.05 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 1178 A 8.48 4.10 1.27 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.