NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 815 E 4.1933 8.4449 118.7934 57.5615 30.9542 174.6962 816 H 4.2831 8.8722 108.3919 55.2639 26.5849 174.9711 817 A 4.0227 7.8651 124.5820 55.0163 19.5971 179.9285 818 E 4.0158 8.1797 113.4047 58.9595 29.6087 178.5020 819 R 4.3208 7.8538 116.9855 56.5438 30.5677 176.8255 820 L 4.2013 7.5419 118.8962 53.6206 42.1949 175.3130 821 P 4.3018 0.0000 0.0000 63.1434 31.7846 175.1941 822 Y 4.7407 8.4953 123.1775 55.9468 40.0911 175.9016 823 D 4.4903 8.4634 127.3223 53.1406 40.3021 175.8497 824 A 3.6046 7.9546 128.2354 54.4115 18.4428 179.0520 825 S 4.0219 7.9343 111.8086 61.3185 63.0377 176.3047 826 K 3.7507 7.5177 121.9834 58.5272 32.2305 177.3249 827 W 4.9073 7.6682 117.9157 57.7350 31.4943 176.4680 828 E 4.8125 8.4511 121.5222 56.2399 29.5721 176.1363 829 F 5.0604 9.1621 129.4159 55.5723 42.4379 173.0086 830 P 4.2941 0.0000 0.0000 62.2584 32.0572 177.6788 831 R 4.0234 8.7316 122.4448 59.3664 30.1634 177.8565 832 D 4.6624 7.9732 114.0503 54.4113 39.8504 176.3850 833 R 4.6183 7.9110 118.9337 56.1518 31.3575 175.0995 834 L 5.4059 7.9113 119.1618 53.0309 44.1167 176.2484 835 K 4.5434 9.2707 123.8113 54.7790 33.6196 175.5851 836 L 4.4191 8.6123 126.0459 54.2825 42.1942 177.1598 837 G 4.3604 9.0613 112.7513 45.1654 0.0000 172.5729 838 K 4.4238 8.6739 122.0576 56.0739 33.9678 175.3732 839 P 4.6415 0.0000 0.0000 63.4150 31.3703 175.8005 840 L 4.6384 9.1231 121.9137 54.4470 43.8817 176.8905 841 G 4.2607 7.1794 107.0001 46.1161 0.0000 171.7448 842 R 4.9833 8.5566 120.4159 54.4381 33.4556 174.6158 843 G 3.5960 7.6891 112.3821 43.4625 0.0000 172.8044 844 A 3.9001 8.2860 120.9670 54.8070 18.6177 179.2622 845 F 4.4263 7.4285 110.9608 58.7378 39.5113 173.4820 846 G 4.5792 5.3800 110.7480 44.1174 0.0000 173.9155 847 Q 5.0497 9.1323 123.7229 54.4399 32.7035 173.1032 848 V 5.1235 9.3056 120.5773 61.2390 33.9256 174.4934 849 I 5.1005 8.7734 120.9418 58.7827 41.1978 174.4318 850 E 4.5716 9.1117 125.4915 56.5791 30.8309 175.3391 851 A 5.0879 8.8649 126.1954 50.8552 23.8222 174.3588 852 D 5.0782 8.9723 119.1613 52.6045 43.1383 175.5580 853 A 5.0819 8.9268 125.4774 50.1712 21.8256 175.2427 854 F 4.8032 9.4619 121.5290 56.9113 40.4309 175.9010 855 G 3.9948 9.0262 113.1126 46.1201 0.0000 173.9085 856 I 3.8357 7.7988 121.8176 63.4838 38.2209 177.0731 857 D 4.2568 7.9730 119.7188 57.1271 41.2369 176.2526 *861 T 4.2303 7.4129 107.5713 61.8082 70.7180 171.1122 862 C 4.8341 8.4383 121.6832 57.5917 33.7878 172.8104 863 R 4.5634 8.4282 125.1902 54.8572 33.1908 173.9930 864 T 4.6826 8.3174 122.4563 62.9058 70.0164 174.0360 865 V 4.7594 9.1542 117.8971 59.7453 37.0820 173.8339 866 A 5.1242 9.0619 123.6160 50.2586 21.6156 175.5996 867 V 4.6326 9.0515 123.0494 60.9217 34.1771 174.2856 868 K 4.8913 9.1269 131.2606 55.5926 33.4910 175.0017 869 M 5.2295 9.2008 125.7150 52.9893 34.0180 174.9433 870 L 4.6844 8.6931 125.9399 54.7586 42.7261 176.8858 871 K 4.2705 8.9519 126.3488 56.6836 33.3371 176.9002 872 E 3.9899 8.7092 121.5486 57.7425 29.9739 177.0652 873 G 3.8397 8.8294 109.1212 46.3167 0.0000 173.8049 874 A 4.2711 7.8317 121.5596 51.6617 19.1196 179.0753 875 T 4.2725 9.3096 112.1050 61.1976 71.1695 175.5173 876 H 4.1010 8.7800 120.8732 59.5794 29.7671 177.3028 877 S 4.0987 8.0700 115.3833 61.4706 62.8563 176.1254 878 E 3.9422 8.1075 122.1263 59.2709 29.2520 178.7624 879 H 4.1043 8.3841 118.2991 59.3520 29.9113 177.0380 880 R 3.7613 8.4137 120.5400 59.4214 29.7803 178.1762 881 A 3.9320 8.0976 120.4170 55.1770 18.4089 179.4276 882 L 3.7995 7.8662 118.7790 58.3793 42.1460 178.8294 883 M 3.9289 8.0653 118.3033 58.4582 32.0835 178.0383 884 S 3.9999 8.3615 113.7933 61.2942 62.4856 175.6576 885 E 3.7876 8.1664 121.9298 59.1816 29.3649 178.3440 886 L 3.7524 7.7774 120.1386 58.3674 42.0192 179.2731 887 K 3.9663 8.0533 118.1155 59.2606 31.8170 179.5527 888 I 3.6672 8.0726 120.6936 64.3460 36.9015 178.4161 889 L 3.9224 7.9747 119.9205 57.7661 41.1605 179.7221 890 I 3.4836 7.3545 118.7951 64.4525 37.0796 177.6587 891 H 4.2935 8.2255 118.1188 59.2670 29.7928 176.8704 892 I 3.7951 7.6500 120.6868 63.3511 37.2694 177.1266 893 G 4.0811 7.7409 103.5195 44.7952 0.0000 171.8573 894 H 4.4793 8.4712 118.2149 55.8581 30.8053 173.8138 895 H 4.2146 7.8221 124.3747 53.8006 32.7985 173.4553 896 L 3.7986 7.9639 127.1880 57.9128 42.0785 177.5067 897 N 5.4584 8.0931 113.1021 52.0232 38.8424 173.5621 898 V 4.8776 7.3190 118.0621 60.4377 34.1411 175.6589 899 V 3.5200 8.4144 127.1541 62.7861 31.7320 175.4109 900 N 4.6833 9.1237 122.8658 52.0921 39.5627 174.3143 901 L 4.2790 8.6214 127.1995 55.2723 42.1591 176.2308 902 L 4.7251 8.7736 126.2042 55.6318 44.3687 176.1908 903 G 4.3652 7.7904 103.5701 46.4641 0.0000 171.8103 904 A 5.2347 8.8707 120.0667 50.8607 23.4272 175.4940 905 C 5.2811 9.2714 117.8759 58.6412 29.9875 174.8287 906 T 4.3427 9.5341 114.7014 61.4154 70.4428 175.1848 907 K 4.2360 8.1872 120.1928 55.5133 33.3805 174.8074 908 P 4.2656 0.0000 0.0000 64.0535 31.6506 176.7180 909 G 4.0234 9.2704 107.1672 45.2017 0.0000 173.2572 910 G 3.9531 7.2224 106.7095 44.3098 0.0000 171.2727 911 P 4.4167 0.0000 0.0000 61.8951 32.0755 175.8359 912 L 4.3467 8.2886 121.8857 55.7836 43.1803 175.5278 913 M 5.2748 9.1796 125.1489 53.5714 36.5661 174.2346 914 V 4.5832 8.8342 123.0272 61.0970 34.6067 174.0258 915 I 5.0356 8.7305 129.1626 59.7723 39.5234 174.9254 916 T 5.1834 8.6206 117.0083 58.9962 72.3591 173.2203 917 E 4.3219 8.6981 120.8597 56.8071 30.1367 176.2883 918 F 4.5322 8.3972 124.7955 57.8001 40.7401 174.7490 919 C 4.3509 7.6361 123.4971 57.5181 28.7494 174.0242 920 K 3.4817 8.4206 127.0486 59.1147 31.5419 177.2885 921 F 4.4821 7.8492 114.0321 56.4632 39.7242 177.7053 922 G 3.8520 7.7625 111.1107 45.1983 0.0000 172.9581 923 N 4.9923 8.4017 116.7408 52.7925 39.3817 175.6391 924 L 3.9709 8.8809 124.7960 58.1661 42.1915 179.3970 925 S 4.1182 8.1694 112.7288 61.8296 62.2377 176.0622 926 T 3.8808 8.1503 116.9958 66.7196 68.5626 175.6523 927 Y 4.2291 8.0322 121.2741 60.8503 38.9042 178.1649 928 L 3.7514 8.2263 120.1035 57.7894 41.4742 179.5213 929 R 4.0528 8.0150 119.2114 58.6487 30.0775 178.1487 930 S 4.2815 7.6049 111.9012 59.5451 63.3471 175.3166 931 K 4.2343 7.2508 121.7546 56.2283 32.0698 178.0398 932 R 3.6528 7.7439 120.3741 58.7786 30.1296 177.1335 933 N 4.7809 7.8653 112.6530 53.2157 39.2252 174.4603 934 E 3.1053 7.9624 118.6053 55.3832 30.0148 175.2111 935 F 5.2622 7.9023 120.0175 56.5318 42.7505 174.5675 936 V 4.1849 7.8329 117.7700 58.7719 35.5808 174.7296 937 P 4.0933 0.0000 0.0000 65.5041 31.4164 175.9825 938 Y 4.9591 6.2489 111.8688 55.2793 40.7071 174.4700 939 K 3.5168 8.2509 120.8586 56.2757 32.9789 176.5022 *990 V 4.4104 8.2088 119.3610 62.5374 32.3725 175.1362 991 A 4.3926 8.2987 129.0231 51.1782 18.7129 175.5522 992 P 4.4106 0.0000 0.0000 62.5889 32.0117 177.2897 993 E 4.3557 8.8171 122.6590 58.1465 29.3639 178.4169 994 D 4.3181 7.9128 118.3710 55.7296 39.5780 177.9130 995 L 3.7860 7.1088 119.3284 56.4658 41.6575 176.9120 996 Y 3.3036 7.2889 117.2735 56.4330 38.7458 175.2480 997 K 4.1001 8.0399 121.0900 58.0883 32.4956 175.8522 998 D 4.6019 9.0644 123.8780 55.0697 38.4875 173.8039 999 F 4.5696 8.3599 117.8520 57.4463 39.7518 175.4394 1000 L 4.2356 8.8836 122.5846 54.8444 43.2311 175.9950 1001 T 5.1268 8.0218 110.3995 57.8838 72.6195 174.5551 1002 L 4.2225 8.6742 121.3455 58.0149 41.4115 179.4323 1003 E 3.9055 8.2429 118.6469 59.6864 29.4656 178.4096 1004 H 3.7134 7.8246 116.0547 58.8280 28.7689 177.8154 1005 L 3.7477 7.6870 120.4909 57.8026 41.3635 179.7286 1006 I 4.0580 8.3005 120.2453 64.3940 36.9940 178.0254 1007 C 4.2031 8.2639 119.7752 62.7837 31.4182 175.1891 1008 Y 4.5034 8.0734 118.6673 61.3373 37.4577 178.8967 1009 S 4.3950 8.3602 115.9632 61.7210 62.9944 176.4110 1010 F 4.4031 8.9582 123.6541 61.6627 39.0670 177.1592 1011 Q 3.8271 8.5288 117.5608 58.9354 28.4491 178.9773 1012 V 3.6218 8.1891 119.0381 65.9131 31.6126 177.8323 1013 A 3.6470 8.3214 120.5114 54.9979 18.1660 179.6460 1014 K 3.7908 8.1473 117.4321 59.5411 32.0214 179.7034 1015 G 3.4727 8.2210 106.1855 48.1560 0.0000 175.6740 1016 M 3.6906 7.9679 121.4455 57.5736 31.5819 178.3357 1017 E 3.8862 8.2681 119.9926 59.2149 29.8699 178.6871 1018 F 4.1201 8.1949 120.5172 61.3725 39.4344 177.0008 1019 L 3.6878 8.1694 118.6378 57.6652 41.3074 179.3989 1020 A 3.9751 8.2024 121.2501 55.1722 18.1258 179.8635 1021 S 4.0449 7.8409 111.4981 60.9832 63.0480 175.8919 1022 R 4.1128 7.0685 119.0767 54.9279 30.0618 176.1252 1023 K 3.8943 7.8440 117.2099 57.7810 30.0565 175.2634 1024 C 4.7311 7.9079 114.8591 58.1683 30.1288 173.6949 1025 I 4.7012 7.8868 122.0420 59.8368 39.8073 175.2584 1026 H 4.1354 9.9060 126.2631 59.3768 29.8411 177.6763 1027 R 4.5903 9.2826 115.0579 56.6837 29.1588 176.0740 1028 D 4.9052 7.8440 116.2682 52.9053 41.4895 175.1213 1029 L 3.9712 8.3197 120.2101 54.8826 43.0475 175.2352 1030 A 4.4845 8.0367 125.8149 51.3429 21.8176 176.6995 1031 A 4.1016 9.2374 123.7270 55.1638 18.5860 180.6686 1032 R 4.1822 8.0134 111.1737 58.8532 29.6957 176.8683 1033 N 5.2110 8.4249 115.6898 53.0178 40.0132 174.0243 1034 I 4.9400 7.9803 120.9584 59.5333 40.0503 174.5247 1035 L 5.1056 9.0368 126.9496 52.9468 44.5558 175.0390 1036 L 4.7199 8.6025 125.1651 53.7197 43.9612 175.8530 1037 S 4.9688 8.6055 123.0207 56.6547 64.9847 172.9339 1038 E 4.4238 8.5068 118.6839 56.8120 29.8433 176.4415 1039 K 3.8886 9.1416 115.8057 57.8296 29.5389 175.3184 1040 N 4.3172 8.4237 111.4254 54.1859 36.5121 174.0921 1041 V 4.2973 7.6770 118.1651 62.6257 32.9142 175.3551 1042 V 4.8519 8.9006 121.1179 59.8381 34.7052 175.0886 1043 K 4.8939 8.7498 121.9019 54.6526 36.1501 175.8273 1044 I 4.3420 8.8369 127.2945 61.4496 38.2699 175.0734 1045 C 5.1148 8.9600 121.3558 56.5613 33.3384 172.9720 1046 D 4.7166 8.1892 116.8599 52.4998 41.8410 175.0411 1047 F 4.2333 9.4470 126.2645 58.1383 39.4094 176.2233 1048 G 3.9480 8.7918 109.5893 46.6134 0.0000 175.9589 1049 L 3.8691 8.0922 120.5392 56.4594 41.9238 178.6667 1050 A 3.9688 7.7518 120.7044 54.0443 18.5545 177.8229 1051 R 4.4713 7.2634 114.7332 55.7695 31.1503 175.3746 *1056 D 4.4371 7.9748 116.0824 53.4445 42.1611 174.2626 1057 P 4.3987 0.0000 0.0000 65.3131 31.7593 177.0586 1058 D 4.6655 8.6832 117.3614 55.3786 41.1133 175.2627 1059 Y 4.9359 8.1072 117.2518 55.9736 40.0794 175.0823 1060 V 4.0848 8.5352 125.9114 61.5104 32.6807 177.3523 1061 R 4.1828 8.3005 128.9999 56.1197 27.6486 174.7772 *1067 L 4.3073 7.5729 119.7704 53.8218 43.8963 176.0740 1068 P 5.3268 0.0000 0.0000 61.0665 29.9766 176.6431 1069 L 4.0400 7.9264 124.3452 58.5987 42.2469 180.1095 1070 K 3.9411 8.1380 116.2593 58.1114 32.2364 177.3937 1071 W 4.7937 8.7465 117.5653 56.5842 30.0341 175.2442 1072 M 4.4570 7.7933 118.6955 53.7933 32.7654 176.7746 1073 A 2.5800 8.0180 124.5630 50.7685 20.6001 176.7291 1074 P 4.0669 0.0000 0.0000 65.6504 31.4848 179.0847 1075 E 4.0123 7.8427 115.6746 59.3077 29.5611 179.2972 1076 T 3.8700 7.2830 117.8941 65.6622 68.4234 176.7059 1077 I 3.4811 7.3192 120.4143 64.5355 37.2336 178.2368 1078 F 4.3294 8.0458 116.8396 59.3376 38.5327 176.2003 1079 D 4.8363 7.7746 114.7333 52.9485 42.2665 176.0013 1080 R 3.9656 7.8038 116.6807 57.0182 27.9274 176.1871 1081 V 4.0011 7.0280 118.3901 62.0775 31.9943 174.1539 1082 Y 4.9330 8.7203 125.1767 56.3349 40.0550 175.4768 1083 T 4.8461 8.8327 114.7887 59.0965 73.7446 174.5492 1084 I 3.9029 8.3866 119.6434 64.4004 37.7358 177.5393 1085 Q 4.1374 8.1758 118.7158 58.5037 28.6309 178.3385 1086 S 4.3369 8.1815 115.5867 61.3647 63.1247 176.1458 1087 D 4.6968 8.4165 122.6843 57.3808 40.5993 178.8798 1088 V 3.4580 7.8946 118.6607 65.5668 31.5620 177.6804 1089 W 4.6916 8.1215 129.5679 60.2964 30.5347 177.9679 1090 S 4.8860 8.7011 116.3096 61.2897 62.3509 176.4413 1091 F 4.5389 9.2519 123.8744 61.3724 39.0982 177.3130 1092 G 3.3039 8.3665 105.3361 47.7716 0.0000 175.8132 1093 V 4.0111 8.2167 120.4716 65.6643 31.4922 177.6491 1094 L 4.4105 8.6882 120.5758 58.4507 41.8198 178.8958 1095 L 4.0255 8.2284 119.1313 57.6399 41.4104 179.3047 1096 W 4.1771 8.4546 128.1949 60.5722 30.6367 177.7306 1097 E 4.1900 8.9575 118.7499 59.6106 28.9896 179.4874 1098 I 3.6409 8.1408 119.8649 64.3262 37.2454 177.7670 1099 F 4.3591 8.3789 116.6542 57.6589 38.5940 176.6679 1100 S 4.5304 7.2740 112.9243 56.6281 63.8388 173.7307 1101 L 3.2209 8.6580 121.9763 56.2085 39.2196 175.4823 1102 G 3.8016 8.6140 100.5815 45.9296 0.0000 173.3907 1103 A 4.2704 7.4908 121.4033 51.4807 18.9868 178.0448 1104 S 4.6126 8.5350 114.6504 56.7962 63.2425 172.6270 1105 P 3.1079 0.0000 0.0000 63.4651 32.1069 175.2618 1106 Y 3.3165 6.7657 115.4710 58.1524 35.1191 169.2428 1107 P 4.2398 0.0000 0.0000 64.2447 32.2561 177.2658 1108 G 3.8831 8.9173 108.2795 45.7026 0.0000 172.9593 1109 V 4.3010 7.2822 119.2377 60.3060 33.4735 175.0904 1110 K 4.0640 8.4980 128.5671 56.1813 32.6812 177.2036 1111 I 3.6492 7.8486 127.9053 59.9318 36.0172 174.5249 1112 D 4.8391 7.7123 124.2342 50.8406 42.4652 176.1221 1113 E 3.9684 8.8709 115.7077 60.2287 29.1715 178.5175 1114 E 3.9036 8.2521 119.9854 58.7822 29.6829 178.3724 1115 F 4.0616 8.4017 120.3368 61.6320 39.4625 176.7853 1116 C 3.8497 8.0268 116.0441 62.5311 27.8830 175.9610 1117 R 3.8965 8.2156 120.5071 59.7566 29.6815 178.8955 1118 R 3.8946 8.0184 117.7408 58.8389 30.0915 178.8170 1119 L 3.9100 7.6353 120.2809 58.0334 41.8363 178.8475 1120 K 3.7883 7.7530 118.1956 59.5443 32.1393 177.8955 1121 E 4.1135 7.7940 117.9699 56.8489 29.6901 176.9872 1122 G 4.1139 7.5288 104.8500 45.6164 0.0000 174.2451 1123 T 4.0500 7.9145 117.5757 63.5518 68.8933 174.0289 1124 R 4.6355 8.1450 123.3983 53.9919 34.2645 174.9887 1125 M 3.9973 7.8251 119.0390 55.5288 32.3582 177.1116 1126 R 4.2346 8.3949 120.7721 55.4745 31.0481 176.4596 1127 A 3.3612 7.7864 122.9049 51.7464 18.6036 176.2369 1128 P 4.3500 0.0000 0.0000 61.8128 32.3395 177.1718 1129 D 3.9818 8.1220 118.1871 56.6960 40.6223 177.2223 1130 Y 4.5508 7.4902 114.2382 57.6564 38.4341 175.7503 1131 T 4.1526 7.4817 115.3802 61.9305 68.2750 174.4895 1132 T 4.5080 7.7037 115.8843 59.8080 72.0168 173.9775 1133 P 4.2858 0.0000 0.0000 65.8586 31.3680 178.7903 1134 E 3.9506 8.1011 116.7774 59.8133 29.4633 179.2439 1135 M 3.8961 7.8063 118.4788 58.2970 31.8422 178.2438 1136 Y 4.1165 7.9368 119.8092 60.6957 38.9173 177.6975 1137 Q 3.6873 8.1731 120.5408 59.3886 29.0768 178.4845 1138 T 3.7109 7.7675 116.6868 66.6811 68.5638 176.2991 1139 M 3.1467 7.5186 120.4331 58.1599 31.6521 178.7305 1140 L 3.7510 6.8392 117.2219 57.8082 41.9586 179.0418 1141 D 4.4330 8.0704 119.0038 57.7040 40.6682 178.8007 1142 C 4.2180 7.8945 116.8097 61.6732 27.6787 174.9354 1143 W 3.9583 6.8960 118.9236 55.4290 30.1414 175.8211 1144 H 4.2614 7.7687 119.6203 56.1376 29.8856 176.6101 1145 G 3.5528 8.8340 115.0633 48.1700 0.0000 173.3290 1146 E 4.4795 8.0070 119.6326 54.1558 30.1389 174.9151 1147 P 4.3264 0.0000 0.0000 65.7939 31.5233 178.8245 1148 S 4.2276 8.0138 110.4724 60.4712 63.1539 174.7018 1149 Q 4.2354 7.8309 118.7641 56.2568 29.0479 176.3548 1150 R 4.3198 7.4185 117.8943 54.8309 30.7294 174.8394 1151 P 4.5063 0.0000 0.0000 62.9046 32.0165 176.8175 1152 T 4.1477 8.7034 111.1761 61.1162 71.1275 175.9154 1153 F 4.0165 8.3877 120.1428 60.7282 38.8652 177.9847 1154 S 4.5219 8.0936 115.6847 61.2067 62.6086 176.5123 1155 E 4.0159 8.3180 121.0923 59.3431 29.1699 179.4053 1156 L 4.0648 8.1972 119.3296 57.6916 41.5931 179.6598 1157 V 3.7057 8.3096 118.6466 65.9735 31.5014 177.6568 1158 E 3.9943 8.2352 118.9447 59.5915 29.4975 178.2662 1159 H 4.1909 8.6319 118.4869 59.4584 30.0021 177.2695 1160 L 4.1629 8.6874 121.4071 57.6234 41.3613 179.7248 1161 G 3.2061 8.6117 105.9378 47.7522 0.0000 175.4924 1162 N 4.2897 8.2139 119.0741 56.0162 38.5947 177.5381 1163 L 3.9430 8.0122 120.4625 57.5090 41.6629 179.4043 1164 L 3.8581 8.2219 120.7302 58.0730 42.1776 178.6298 1165 Q 3.8185 8.1609 119.5846 59.1400 28.8137 178.1502 1166 A 3.9283 7.9454 121.5555 55.1899 18.1995 179.0675 1167 N 4.1605 7.9063 113.6790 56.9521 39.1945 176.7996 1168 A 4.0902 8.3289 120.7606 54.2423 18.5074 178.4743 1169 Q 4.4527 7.5688 113.7054 56.0639 30.1096 177.4575 1170 Q 4.2375 7.6619 118.9859 57.7632 28.7232 175.7208 1171 D 4.4296 7.6494 120.2333 53.6536 41.1524 175.4252 1172 R 4.5006 8.4370 125.1301 56.2383 30.6738 177.6227 1173 H 3.9046 8.6820 119.8532 59.9213 29.5886 175.5803 1174 H 4.6593 8.0186 112.0856 56.2583 28.5943 175.0987 1175 H 5.0110 8.0079 117.3865 55.5343 29.5127 173.3050 1176 H 4.3158 8.3990 123.8759 56.5227 29.6904 174.4591 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 815 E 8.44 4.19 0.00 2.00 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 2.16 2.32 0.00 816 H 8.87 4.28 0.00 3.41 3.34 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 817 A 7.87 4.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 818 E 8.18 4.02 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 819 R 7.85 4.32 0.00 1.95 2.01 0.00 3.14 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 820 L 7.54 4.20 0.00 1.74 1.64 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 821 P 0.00 4.30 0.00 2.10 2.05 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 822 Y 8.50 4.74 0.00 2.83 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 823 D 8.46 4.49 0.00 2.76 2.56 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 0.00 824 A 7.95 3.60 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 0.00 825 S 7.93 4.02 0.00 3.97 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 0.00 826 K 7.52 3.75 0.00 1.50 1.34 0.00 1.38 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.76 7.81 827 W 7.67 4.91 0.00 3.23 3.31 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 0.00 828 E 8.45 4.81 0.00 2.21 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 2.45 2.43 0.00 829 F 9.16 5.06 0.00 3.06 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 830 P 0.00 4.29 0.00 1.96 1.79 0.00 2.20 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 831 R 8.73 4.02 0.00 1.88 2.02 0.00 3.14 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 832 D 7.97 4.66 0.00 2.75 2.75 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 0.00 833 R 7.91 4.62 0.00 1.37 2.16 0.00 3.58 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 834 L 7.91 5.41 0.00 1.78 1.69 1.08 0.99 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 0.00 835 K 9.27 4.54 0.00 1.89 1.85 0.00 1.99 0.00 0.00 1.75 0.00 0.00 2.47 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.61 7.81 836 L 8.61 4.42 0.00 1.56 1.62 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 837 G 9.06 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 0.00 838 K 8.67 4.42 0.00 1.85 1.95 0.00 1.53 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.45 7.81 839 P 0.00 4.64 0.00 2.12 2.12 0.00 3.74 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 2.00 2.01 0.00 840 L 9.12 4.64 0.00 1.74 1.88 1.19 0.92 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 0.00 841 G 7.18 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 0.00 0.00 0.00 0.00 842 R 8.56 4.98 0.00 1.73 1.68 0.00 3.11 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.62 0.00 843 G 7.69 3.60 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 0.00 0.00 0.00 844 A 8.29 3.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 845 F 7.43 4.43 0.00 3.18 3.32 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 0.00 846 G 5.38 4.58 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 0.00 0.00 0.00 847 Q 9.13 5.05 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 848 V 9.31 5.12 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 1.18 0.00 0.00 1.14 0.00 0.00 849 I 8.77 5.10 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 1.16 0.81 0.95 0.00 0.00 850 E 9.11 4.57 0.00 1.97 1.73 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 1.94 1.55 0.00 851 A 8.86 5.09 1.22 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 0.00 0.00 852 D 8.97 5.08 0.00 2.60 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 0.00 0.00 0.00 0.00 853 A 8.93 5.08 0.95 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 0.00 0.00 854 F 9.46 4.80 0.00 3.04 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 0.00 855 G 9.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 856 I 7.80 3.84 1.21 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.15 0.73 0.00 0.00 857 D 7.97 4.26 0.00 2.69 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 *861 T 7.41 4.23 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 862 C 8.44 4.83 0.00 2.79 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 0.00 863 R 8.43 4.56 0.00 1.76 1.54 0.00 3.24 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 864 T 8.32 4.68 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 865 V 9.15 4.76 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 0.60 0.00 0.00 0.90 0.00 0.00 866 A 9.06 5.12 1.34 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 0.00 0.00 867 V 9.05 4.63 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 1.06 0.00 0.00 0.95 0.00 0.00 868 K 9.13 4.89 0.00 1.70 1.51 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.08 0.92 7.81 869 M 9.20 5.23 0.00 2.08 2.16 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 2.51 2.64 0.00 870 L 8.69 4.68 0.00 1.64 1.59 1.01 0.44 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 0.00 871 K 8.95 4.27 0.00 1.75 1.79 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.64 1.42 7.81 872 E 8.71 3.99 0.00 1.98 1.92 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 2.31 2.31 0.00 873 G 8.83 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 0.00 874 A 7.83 4.27 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 0.00 875 T 9.31 4.27 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 1.26 0.00 0.00 876 H 8.78 4.10 0.00 3.28 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 S 8.07 4.10 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 0.00 878 E 8.11 3.94 0.00 2.26 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 2.35 2.33 0.00 879 H 8.38 4.10 0.00 3.28 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 R 8.41 3.76 0.00 1.67 2.01 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 881 A 8.10 3.93 1.40 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 0.00 0.00 882 L 7.87 3.80 0.00 1.78 1.66 0.74 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 883 M 8.07 3.93 0.00 2.11 1.97 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 2.50 2.48 0.00 884 S 8.36 4.00 0.00 3.90 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 0.00 885 E 8.17 3.79 0.00 1.96 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 2.16 2.19 0.00 886 L 7.78 3.75 0.00 1.66 1.70 0.70 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 887 K 8.05 3.97 0.00 1.90 1.83 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.58 1.70 7.81 888 I 8.07 3.67 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.86 0.00 0.00 889 L 7.97 3.92 0.00 1.66 1.57 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 890 I 7.35 3.48 1.85 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 -0.07 1.02 0.00 0.00 891 H 8.23 4.29 0.00 3.13 3.53 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 892 I 7.65 3.80 1.92 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 1.43 0.79 1.04 0.00 0.00 893 G 7.74 4.08 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 0.00 0.00 0.00 894 H 8.47 4.48 0.00 3.15 3.25 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 895 H 7.82 4.21 0.00 1.40 2.30 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 896 L 7.96 3.80 0.00 1.45 1.48 0.90 0.94 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 0.00 897 N 8.09 5.46 0.00 2.80 2.76 0.00 0.00 7.00 7.68 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 0.00 898 V 7.32 4.88 2.04 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 0.87 0.00 0.00 0.98 0.00 0.00 899 V 8.41 3.52 1.97 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 0.60 0.00 0.00 0.83 0.00 0.00 900 N 9.12 4.68 0.00 2.85 2.84 0.00 0.00 6.26 6.02 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 0.00 901 L 8.62 4.28 0.00 1.53 1.52 0.88 0.10 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 0.00 902 L 8.77 4.73 0.00 1.47 1.63 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 903 G 7.79 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 0.00 904 A 8.87 5.23 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 0.00 905 C 9.27 5.28 0.00 2.89 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 906 T 9.53 4.34 4.08 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 0.89 0.00 0.00 907 K 8.19 4.24 0.00 1.93 1.92 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 908 P 0.00 4.27 0.00 2.07 2.06 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 909 G 9.27 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 0.00 910 G 7.22 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 0.00 0.00 0.00 911 P 0.00 4.42 0.00 2.20 2.07 0.00 3.79 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 2.01 1.97 0.00 912 L 8.29 4.35 0.00 1.76 1.53 0.86 0.82 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 0.00 913 M 9.18 5.27 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 914 V 8.83 4.58 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 0.91 0.00 0.00 0.82 0.00 0.00 915 I 8.73 5.04 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 0.82 0.00 0.00 916 T 8.62 5.18 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 1.13 0.00 0.00 917 E 8.70 4.32 0.00 1.99 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 2.35 2.24 0.00 918 F 8.40 4.53 0.00 2.97 3.06 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 0.00 919 C 7.64 4.35 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 920 K 8.42 3.48 0.00 1.48 1.32 0.00 1.55 0.00 0.00 1.20 0.00 0.00 2.52 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.16 7.81 921 F 7.85 4.48 0.00 2.89 2.65 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 0.00 922 G 7.76 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 0.00 923 N 8.40 4.99 0.00 3.22 2.98 0.00 0.00 5.63 6.67 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 0.00 924 L 8.88 3.97 0.00 1.80 1.86 0.47 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 925 S 8.17 4.12 0.00 4.02 4.05 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 0.00 926 T 8.15 3.88 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 1.24 0.00 0.00 927 Y 8.03 4.23 0.00 3.11 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 0.00 928 L 8.23 3.75 0.00 1.79 1.49 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 929 R 8.02 4.05 0.00 1.97 2.04 0.00 3.12 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.47 0.00 930 S 7.60 4.28 0.00 4.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 931 K 7.25 4.23 0.00 1.53 1.52 0.00 1.44 0.00 0.00 1.18 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.65 0.74 7.81 932 R 7.74 3.65 0.00 1.71 1.94 0.00 3.15 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 933 N 7.87 4.78 0.00 2.60 2.79 0.00 0.00 6.68 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 0.00 934 E 7.96 3.11 0.00 1.42 1.13 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 1.64 1.82 0.00 935 F 7.90 5.26 0.00 2.73 2.68 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 0.00 936 V 7.83 4.18 1.50 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 0.61 0.00 0.00 0.31 0.00 0.00 937 P 0.00 4.09 0.00 1.78 2.18 0.00 3.26 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 1.99 2.20 0.00 938 Y 6.25 4.96 0.00 2.95 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 0.00 939 K 8.25 3.52 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.35 7.81 *990 V 8.21 4.41 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 1.16 0.00 0.00 0.91 0.00 0.00 991 A 8.30 4.39 1.22 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 0.00 0.00 992 P 0.00 4.41 0.00 2.42 2.17 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 993 E 8.82 4.36 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 994 D 7.91 4.32 0.00 2.76 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 0.00 995 L 7.11 3.79 0.00 0.41 0.72 0.67 0.45 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 0.00 996 Y 7.29 3.30 0.00 2.71 2.30 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 0.00 997 K 8.04 4.10 0.00 1.82 1.77 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.51 7.81 998 D 9.06 4.60 0.00 3.00 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 0.00 999 F 8.36 4.57 0.00 2.96 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 1000 L 8.88 4.24 0.00 1.66 1.69 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 1001 T 8.02 5.13 4.33 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 1.15 0.00 0.00 1002 L 8.67 4.22 0.00 1.94 1.96 1.11 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 1003 E 8.24 3.91 0.00 2.01 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 0.00 2.28 2.36 0.00 1004 H 7.82 3.71 0.00 3.24 2.81 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1005 L 7.69 3.75 0.00 1.57 0.68 0.58 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 1006 I 8.30 4.06 1.95 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 1.69 1.03 1.00 0.00 0.00 1007 C 8.26 4.20 0.00 2.99 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 1008 Y 8.07 4.50 0.00 3.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1009 S 8.36 4.39 0.00 4.38 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 0.00 1010 F 8.96 4.40 0.00 3.18 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 1011 Q 8.53 3.83 0.00 2.45 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.81 0.00 1012 V 8.19 3.62 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 1.37 0.00 0.00 1.11 0.00 0.00 1013 A 8.32 3.65 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 1014 K 8.15 3.79 0.00 1.64 1.73 0.00 1.11 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.18 0.51 7.81 1015 G 8.22 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1016 M 7.97 3.69 0.00 0.51 0.99 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.49 0.00 1017 E 8.27 3.89 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 1018 F 8.19 4.12 0.00 2.93 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 1019 L 8.17 3.69 0.00 1.72 1.62 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 1020 A 8.20 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1021 S 7.84 4.04 0.00 3.99 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 0.00 1022 R 7.07 4.11 0.00 1.66 1.77 0.00 3.19 0.00 0.00 2.85 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.03 0.00 1023 K 7.84 3.89 0.00 1.88 1.89 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.36 7.81 1024 C 7.91 4.73 0.00 3.04 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 1025 I 7.89 4.70 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 1.13 0.00 0.00 1026 H 9.91 4.14 0.00 3.15 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1027 R 9.28 4.59 0.00 2.02 2.08 0.00 2.95 0.00 0.00 2.43 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 1028 D 7.84 4.91 0.00 2.75 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 1037 S 8.61 4.97 0.00 3.77 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 1038 E 8.51 4.42 0.00 2.13 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 2.52 2.36 0.00 1039 K 9.14 3.89 0.00 1.93 1.92 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.48 7.81 1040 N 8.42 4.32 0.00 2.91 3.11 0.00 0.00 7.07 7.68 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 1041 V 7.68 4.30 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 0.92 0.00 0.00 1.04 0.00 0.00 1042 V 8.90 4.85 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 0.54 0.00 0.00 1.06 0.00 0.00 1043 K 8.75 4.89 0.00 1.57 1.66 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.43 7.81 1044 I 8.84 4.34 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.39 0.00 1136 Y 7.94 4.12 0.00 2.94 3.06 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 1137 Q 8.17 3.69 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 1138 T 7.77 3.71 4.30 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 1.23 0.00 0.00 1139 M 7.52 3.15 0.00 0.51 1.58 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 2.41 0.00 1140 L 6.84 3.75 0.00 1.46 1.54 0.63 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 1141 D 8.07 4.43 0.00 2.68 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 1142 C 7.89 4.22 0.00 2.58 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 1143 W 6.90 3.96 0.00 3.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1144 H 7.77 4.26 0.00 3.36 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1145 G 8.83 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1146 E 8.01 4.48 0.00 2.13 1.92 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 2.34 2.46 0.00 1147 P 0.00 4.33 0.00 2.20 2.17 0.00 3.62 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.45 0.00 1148 S 8.01 4.23 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.83 4.24 0.00 1.70 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 1150 R 7.42 4.32 0.00 1.89 1.86 0.00 3.44 0.00 0.00 3.71 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.85 0.00 1151 P 0.00 4.51 0.00 2.08 1.98 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 1152 T 8.70 4.15 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 1.19 0.00 0.00 1153 F 8.39 4.02 0.00 3.07 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 1154 S 8.09 4.52 0.00 3.89 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 1155 E 8.32 4.02 0.00 2.14 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 2.33 2.35 0.00 1156 L 8.20 4.06 0.00 1.80 1.74 0.59 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 1157 V 8.31 3.71 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 1.16 0.00 0.00 1.00 0.00 0.00 1158 E 8.24 3.99 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 1159 H 8.63 4.19 0.00 3.36 3.35 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1160 L 8.69 4.16 0.00 2.13 2.00 1.33 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 1161 G 8.61 3.21 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 0.00 1162 N 8.21 4.29 0.00 2.94 2.84 0.00 0.00 7.07 6.04 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 1163 L 8.01 3.94 0.00 1.79 1.67 0.81 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 1164 L 8.22 3.86 0.00 1.65 1.56 0.86 0.26 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 1165 Q 8.16 3.82 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 1166 A 7.95 3.93 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 1167 N 7.91 4.16 0.00 2.85 2.94 0.00 0.00 7.27 7.24 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 1168 A 8.33 4.09 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 1169 Q 7.57 4.45 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 1170 Q 7.66 4.24 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.20 0.00 1171 D 7.65 4.43 0.00 2.51 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 1172 R 8.44 4.50 0.00 1.88 1.94 0.00 3.46 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.54 0.00 1173 H 8.68 3.90 0.00 3.12 3.30 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1174 H 8.02 4.66 0.00 3.00 3.16 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1175 H 8.01 5.01 0.00 3.16 3.24 0.00 5.66 0.00 0.00 0.00 0.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1176 H 8.40 4.32 0.00 3.08 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.91 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.