NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 855 A 4.2349 8.2644 123.5796 52.1584 19.8410 175.2005 856 F 4.4824 7.9803 120.6415 57.9581 41.7998 171.5448 857 K 4.5301 6.9169 122.5487 54.6443 36.6439 175.9500 858 I 3.8952 8.9908 125.6691 60.0743 37.9113 175.0009 859 P 4.3173 0.0000 0.0000 62.6862 33.0834 177.6319 860 L 4.0353 8.5073 121.5324 58.0532 41.4939 180.1281 861 S 4.1531 8.0021 113.6478 61.1427 62.9215 176.6276 862 I 3.7009 7.5827 123.0486 64.2780 37.1111 177.7941 863 R 3.8197 8.2856 119.9681 59.6621 29.7681 178.2324 864 Q 3.9283 8.2311 119.1407 59.1914 29.1243 178.4317 865 K 4.0249 7.8667 119.5840 59.2338 31.9618 179.4458 866 I 3.6313 7.9842 120.3667 64.6628 37.0922 178.1552 867 C 4.0806 8.1638 117.4485 62.8365 27.7420 176.1273 868 S 4.0683 7.8865 113.4414 61.5397 62.1401 175.9733 869 S 4.2053 7.9592 115.4905 61.5945 62.3081 176.1880 870 L 4.1585 8.4051 121.6413 57.3188 41.4776 178.9362 871 D 4.6147 8.3880 117.9525 55.6533 41.4875 176.4162 872 A 4.3047 7.7660 124.0204 51.2695 18.9513 176.8492 873 P 4.3709 0.0000 0.0000 65.5287 31.6771 177.8162 874 N 4.6038 8.1444 114.3515 54.7592 38.7664 175.3545 875 S 4.5838 8.0545 114.6104 57.8704 63.3119 174.0065 876 R 4.1322 7.4186 120.1718 58.2053 30.0286 176.6562 877 G 4.0516 9.7648 110.8136 45.7642 0.0000 173.5186 878 N 4.9294 8.1932 119.0737 52.6340 39.7356 172.0517 879 D 5.2676 7.4865 120.3285 51.1823 42.6475 175.8445 880 W 4.3086 8.6154 114.9196 60.5387 27.7224 178.2113 881 R 3.3317 6.7588 118.5031 58.7664 29.3100 178.7666 882 L 3.8738 7.7001 119.4622 57.9640 42.1773 178.5256 883 L 3.9006 7.8698 120.0010 58.0172 41.8020 178.7121 884 A 4.0432 8.3983 119.9080 55.4418 18.8002 179.3268 885 Q 4.1605 8.1734 116.4814 59.1631 28.5915 179.2543 886 K 4.1357 8.3612 118.5583 58.4836 32.1144 177.7934 887 L 4.4751 7.6957 116.8705 53.9981 41.9853 174.5810 888 S 4.4940 7.8220 118.0778 58.7615 59.9406 169.3358 *890 D 4.8366 8.0591 123.4685 53.0656 41.2618 178.6817 891 R 3.7405 8.1008 118.4626 58.5464 30.2642 176.2510 892 Y 4.6124 7.6823 113.9415 57.6257 38.6595 177.1330 893 L 4.5554 8.0934 123.5734 58.6515 41.4875 179.2787 894 N 4.4831 8.1908 114.2302 56.2042 38.6925 176.5480 895 Y 4.2374 7.8693 121.0888 60.7706 39.0064 177.3506 896 F 3.9892 7.4626 117.9484 60.6918 38.7251 177.3488 897 A 3.8430 7.8114 119.3835 54.9177 18.2239 178.9635 898 T 4.0461 7.5512 106.1395 61.9782 69.6024 174.9446 899 K 4.3201 6.8853 121.2164 54.7131 33.6954 176.7188 900 A 4.0390 8.4299 124.5454 54.4763 18.6719 177.9052 901 S 4.6910 7.3298 109.8897 53.7043 62.5401 171.8406 902 P 3.9375 0.0000 0.0000 65.3761 31.1073 177.7972 903 T 3.8461 8.1519 114.2839 66.4998 68.3723 176.6432 904 G 3.7551 7.7997 107.4537 48.1384 0.0000 175.7859 905 V 3.6391 7.4324 120.6186 65.5919 31.5213 178.0695 906 I 3.4238 7.3980 119.5777 64.4640 36.8849 178.4516 907 L 4.1222 8.5407 119.9544 57.7626 41.3865 179.4089 908 D 4.4090 8.2638 119.0499 57.3611 40.7604 178.7277 909 L 4.0610 8.3430 119.8400 57.4714 41.4130 179.3210 910 W 4.1226 8.2626 127.2355 60.5663 30.9859 177.4548 911 E 3.8799 8.7223 118.3084 59.4110 28.7257 179.2202 912 A 3.9749 7.7913 119.3897 55.1200 18.5836 179.2246 913 R 3.9115 7.8381 114.8143 57.2402 30.5284 176.7415 914 Q 3.7976 6.9045 117.5985 56.2179 29.1890 175.7387 *919 D 4.6569 8.4723 119.7883 53.8733 42.6918 176.6555 920 L 4.9925 7.7734 119.2238 57.7677 42.0477 177.8049 921 N 4.3119 8.1987 117.2062 56.7514 39.0852 176.5348 922 S 4.1799 7.8673 115.5236 61.5044 62.9282 176.4180 923 L 3.5507 7.9338 123.0818 57.7139 41.8548 178.6796 924 A 3.9629 7.4167 120.4055 55.1632 18.1777 179.8436 925 S 4.0687 8.5209 114.0496 61.4833 62.6552 176.6892 926 A 3.9444 7.8624 122.5776 55.2221 18.4654 179.3323 927 L 4.0200 7.8387 117.4882 57.7614 41.4229 179.3618 928 E 3.9352 7.9864 118.1871 59.0860 30.0259 180.7834 929 E 4.3347 8.1471 119.5559 55.6122 28.9858 177.8370 *931 G 3.8084 7.8394 103.9600 45.3968 0.0000 174.9535 932 K 4.3696 7.8491 120.1981 54.5381 30.9057 176.8203 933 S 4.2703 7.8703 117.7812 61.6155 63.7206 178.6424 934 E 4.2113 8.0284 118.9106 56.1211 28.5427 178.4928 *936 L 4.1982 8.0035 122.4644 55.1559 44.0438 178.0267 937 V 3.6558 8.1549 118.1952 65.9615 31.5076 178.1915 938 A 4.1192 7.8830 117.9129 53.1674 17.8317 177.8094 *940 A 4.3947 7.9763 123.1748 53.7453 20.5146 177.8948 941 T 4.0670 8.0082 116.0870 64.0399 68.3877 174.0853 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 855 A 8.26 4.23 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 0.00 856 F 7.98 4.48 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 857 K 6.92 4.53 0.00 1.46 1.43 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.35 7.81 858 I 8.99 3.90 1.87 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 1.41 0.70 0.89 0.00 0.00 859 P 0.00 4.32 0.00 2.14 1.97 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 860 L 8.51 4.04 0.00 1.67 1.70 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 861 S 8.00 4.15 0.00 4.04 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 862 I 7.58 3.70 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.88 0.00 0.00 863 R 8.29 3.82 0.00 1.81 2.14 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 864 Q 8.23 3.93 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 865 K 7.87 4.02 0.00 1.85 1.82 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.68 1.61 7.81 866 I 7.98 3.63 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.90 0.86 0.00 0.00 867 C 8.16 4.08 0.00 2.94 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 0.00 868 S 7.89 4.07 0.00 3.91 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 0.00 869 S 7.96 4.21 0.00 3.96 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 0.00 870 L 8.41 4.16 0.00 1.78 1.90 0.92 1.04 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 0.00 871 D 8.39 4.61 0.00 2.85 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 0.00 872 A 7.77 4.30 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 0.00 873 P 0.00 4.37 0.00 2.26 2.37 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 874 N 8.14 4.60 0.00 2.74 2.91 0.00 0.00 6.87 7.57 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 0.00 875 S 8.05 4.58 0.00 4.13 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 0.00 876 R 7.42 4.13 0.00 1.77 1.87 0.00 3.24 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 877 G 9.76 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 0.00 0.00 0.00 878 N 8.19 4.93 0.00 2.55 2.68 0.00 0.00 6.94 8.21 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 0.00 879 D 7.49 5.27 0.00 3.14 2.79 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 0.00 880 W 8.62 4.31 0.00 3.56 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 881 R 6.76 3.33 0.00 1.50 1.57 0.00 2.68 0.00 0.00 2.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 882 L 7.70 3.87 0.00 1.68 1.60 0.92 0.49 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 0.00 883 L 7.87 3.90 0.00 1.81 1.83 0.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 884 A 8.40 4.04 1.60 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 0.00 885 Q 8.17 4.16 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 886 K 8.36 4.14 0.00 1.84 1.88 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.66 7.81 887 L 7.70 4.48 0.00 1.76 1.86 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 888 S 7.82 4.49 0.00 4.18 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 *890 D 8.06 4.84 0.00 2.89 3.03 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 0.00 0.00 0.00 891 R 8.10 3.74 0.00 1.58 1.33 0.00 2.92 0.00 0.00 2.51 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.45 0.00 892 Y 7.68 4.61 0.00 2.80 2.48 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 0.00 893 L 8.09 4.56 0.00 1.85 2.03 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 894 N 8.19 4.48 0.00 2.73 2.94 0.00 0.00 6.85 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 0.00 895 Y 7.87 4.24 0.00 2.89 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 0.00 896 F 7.46 3.99 0.00 2.91 2.47 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 0.00 897 A 7.81 3.84 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 898 T 7.55 4.05 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 1.25 0.00 0.00 899 K 6.89 4.32 0.00 1.61 1.59 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.40 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.94 1.19 7.81 900 A 8.43 4.04 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 0.00 901 S 7.33 4.69 0.00 3.75 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 902 P 0.00 3.94 0.00 0.95 0.49 0.00 3.51 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 1.24 1.72 0.00 903 T 8.15 3.85 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 0.00 904 G 7.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 905 V 7.43 3.64 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 1.38 0.00 0.00 0.90 0.00 0.00 906 I 7.40 3.42 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 -0.14 0.80 0.00 0.00 907 L 8.54 4.12 0.00 1.81 1.77 0.88 1.04 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 0.00 908 D 8.26 4.41 0.00 2.91 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 0.00 909 L 8.34 4.06 0.00 1.96 1.84 1.29 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 910 W 8.26 4.12 0.00 3.32 3.50 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 0.00 911 E 8.72 3.88 0.00 2.25 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 2.68 2.95 0.00 912 A 7.79 3.97 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 0.00 913 R 7.84 3.91 0.00 1.92 1.93 0.00 3.30 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 914 Q 6.90 3.80 0.00 2.05 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.30 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 *919 D 8.47 4.66 0.00 2.63 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 L 7.77 4.99 0.00 1.71 1.62 1.25 0.28 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 0.00 921 N 8.20 4.31 0.00 2.91 2.84 0.00 0.00 6.96 7.63 0.00 0.00 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 S 7.87 4.18 0.00 4.21 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 0.00 923 L 7.93 3.55 0.00 0.27 0.98 0.46 -0.00 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 0.00 924 A 7.42 3.96 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 0.00 925 S 8.52 4.07 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 926 A 7.86 3.94 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 0.00 927 L 7.84 4.02 0.00 1.78 1.68 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 928 E 7.99 3.94 0.00 2.06 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 2.31 2.49 0.00 929 E 8.15 4.33 0.00 2.10 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 2.34 2.49 0.00 *931 G 7.84 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 0.00 932 K 7.85 4.37 0.00 1.82 1.76 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.48 7.81 933 S 7.87 4.27 0.00 3.99 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 934 E 8.03 4.21 0.00 2.01 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 2.39 2.24 0.00 *936 L 8.00 4.20 0.00 1.79 1.81 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 937 V 8.15 3.66 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 0.88 0.00 0.00 0.99 0.00 0.00 938 A 7.88 4.12 1.28 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 0.00 0.00 *940 A 7.98 4.39 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 0.00 941 T 8.01 4.07 4.44 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.