NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 845 E 4.2727 8.4444 121.4701 56.3194 32.0447 177.4313 846 M 3.9959 8.0228 118.0766 58.0159 32.3339 176.5794 847 K 3.9672 8.1398 118.3698 59.4351 32.7202 178.0714 848 E 3.8766 8.3065 119.1071 59.4376 29.2297 178.7404 849 Q 3.8723 7.8448 118.8284 59.3219 29.1329 178.0211 850 L 3.9511 7.9293 119.4928 57.6118 41.5425 179.5181 851 K 3.9100 8.3564 119.8113 59.6434 32.1267 178.6559 852 Q 3.9347 8.5473 120.2094 59.4335 28.7431 178.1405 853 M 4.0289 8.2520 119.5531 58.6991 32.3034 177.8712 854 D 4.3994 7.9100 119.1840 56.5952 40.9710 178.7299 855 K 3.9250 8.2521 119.8458 60.2688 32.3082 178.8370 856 M 4.0215 7.8664 119.2418 57.9515 32.1454 177.8607 857 K 3.8066 8.2046 119.9735 59.6396 32.1932 178.4048 858 E 4.0763 8.3524 118.6277 59.1152 29.5336 178.6657 859 D 4.5302 7.8491 118.8645 57.0244 40.8056 178.6949 860 L 3.9118 8.2158 121.0530 58.0844 42.2463 178.8969 861 A 4.0077 7.7908 120.7761 54.8205 18.2971 179.5621 862 K 3.8651 8.6214 118.4912 60.0404 32.3307 179.2260 863 T 3.8542 8.0910 116.1804 66.6802 68.4990 176.3321 864 E 3.9469 8.3117 121.1101 58.9007 29.4500 178.9756 865 R 3.8458 7.8000 118.8105 59.6111 30.2224 178.5414 866 I 3.6716 7.7118 119.5748 64.1646 37.0047 178.3628 867 K 3.9208 8.1502 120.6333 59.4343 32.0365 179.1043 868 K 3.9917 7.8827 118.3043 59.5077 32.0266 179.0981 869 E 3.9983 8.4604 119.1378 59.5457 29.2739 179.5607 870 L 4.0567 8.2049 119.0584 57.7338 41.8215 179.2809 871 E 4.0072 8.2380 118.6269 59.1176 29.3049 179.1603 872 E 3.8963 8.2608 119.5425 59.2500 29.7672 178.4566 873 Q 3.9331 8.0871 119.6192 59.1565 29.1472 177.5334 874 N 4.2050 8.4402 118.4283 57.1162 38.9330 176.9724 875 V 3.6411 7.6634 118.7333 66.1745 31.4842 178.0980 876 T 4.0642 8.0047 115.6745 66.5219 68.2643 176.5164 877 L 3.9642 8.3514 121.3257 57.8623 41.6891 179.5221 878 L 4.0353 7.8548 118.6462 57.9480 41.5482 179.5610 879 E 4.0243 8.1600 118.4758 59.3873 29.3692 179.4469 880 Q 3.9581 8.3885 118.4123 58.8893 28.7475 178.8250 881 K 3.6881 8.5503 119.7980 59.4685 32.0697 178.7039 882 N 4.5597 8.2775 117.1648 56.9439 38.7890 176.6660 883 D 4.3239 8.0778 120.0943 57.4229 40.9508 178.5001 884 L 3.9629 7.9152 119.4883 58.0782 41.4919 179.7355 885 F 4.5610 8.3082 117.7763 60.3344 38.6458 177.9283 886 G 3.6494 8.1391 105.4522 48.0597 0.0000 175.8428 887 S 4.1743 8.5271 118.7921 61.4837 62.8704 176.8031 888 M 4.0637 8.5182 121.6901 58.2119 31.5798 178.7941 889 K 4.2413 7.8730 120.8953 59.1713 32.5271 178.9302 890 Q 4.0005 7.8944 118.4357 58.8199 28.5082 178.8793 891 L 3.9691 8.1540 120.0648 57.8449 41.4369 179.1606 892 E 3.9661 8.7216 118.7615 59.8543 29.4737 179.3578 893 D 4.3742 8.3345 118.6931 57.0742 40.7825 178.9658 894 K 3.9337 7.8973 120.0902 59.4516 32.2343 178.9700 895 V 3.6422 8.1099 118.9382 66.1880 31.4747 177.8836 896 E 3.9527 8.3160 118.2446 59.1595 29.1978 178.8259 897 E 3.9106 8.2264 119.3865 59.3599 29.6850 178.8750 898 L 3.9897 8.3692 119.2699 57.8608 41.6819 179.5062 899 L 4.0304 8.1011 118.9305 57.7640 41.5476 179.6457 900 S 4.0631 8.0083 112.6930 61.4186 62.4304 176.1715 901 K 3.9711 8.2761 121.4054 59.8446 31.7423 179.1251 902 N 4.4657 8.7058 116.8954 56.0657 38.3521 177.0519 903 Y 4.0735 8.0414 121.2775 61.2269 39.1477 177.7086 904 H 4.0731 8.6957 116.9103 58.3746 28.6936 178.0333 905 L 3.9800 7.9063 121.2310 57.8829 41.5621 179.0678 906 E 3.9574 8.3667 118.7494 59.5624 29.3704 179.2696 907 N 4.2011 7.9344 116.4015 56.3785 38.6073 177.3187 908 E 4.0306 8.0815 119.3774 58.9255 29.6467 179.4067 909 V 3.6386 7.7906 118.3402 65.3908 31.5294 177.7625 910 A 4.0876 7.6896 120.3401 54.4807 18.0931 179.5502 911 R 3.7931 8.0036 117.2815 59.7328 30.2384 178.8692 912 L 3.8010 8.0114 118.5315 57.1418 41.5338 179.4728 913 K 3.9549 7.7959 119.6189 59.2583 32.0397 178.3197 914 K 4.3180 7.8504 115.2437 56.9340 32.1567 178.0704 915 L 4.2761 6.9984 120.9081 57.6337 42.6500 178.3458 916 V 3.9525 7.7126 116.9239 63.0663 31.9474 174.1762 917 G 3.7942 9.7979 108.2364 46.2801 0.0000 171.3679 918 E 4.8406 8.4476 124.9409 57.7207 37.4300 176.6089 *919 R 4.2090 7.7044 119.7710 56.6491 30.2493 176.2269 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 845 E 8.44 4.27 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 846 M 8.02 4.00 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.75 0.00 847 K 8.14 3.97 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.50 7.81 848 E 8.31 3.88 0.00 2.07 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 0.00 2.38 2.45 0.00 849 Q 7.84 3.87 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 850 L 7.93 3.95 0.00 1.84 1.71 0.92 0.60 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 0.00 851 K 8.36 3.91 0.00 1.99 1.94 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 852 Q 8.55 3.93 0.00 2.42 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 853 M 8.25 4.03 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 854 D 7.91 4.40 0.00 2.71 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 0.00 855 K 8.25 3.93 0.00 1.97 2.08 0.00 1.30 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.45 7.81 856 M 7.87 4.02 0.00 2.05 2.08 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 2.59 2.54 0.00 857 K 8.20 3.81 0.00 2.09 1.95 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.54 7.81 858 E 8.35 4.08 0.00 2.16 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 0.00 2.61 2.48 0.00 859 D 7.85 4.53 0.00 2.85 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 0.00 860 L 8.22 3.91 0.00 1.86 1.85 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 861 A 7.79 4.01 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 0.00 862 K 8.62 3.87 0.00 1.85 1.84 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 863 T 8.09 3.85 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 1.21 0.00 0.00 864 E 8.31 3.95 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 865 R 7.80 3.85 0.00 2.12 2.12 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 866 I 7.71 3.67 2.00 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 0.60 0.91 0.00 0.00 867 K 8.15 3.92 0.00 1.91 2.00 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.48 7.81 868 K 7.88 3.99 0.00 2.05 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.62 7.81 869 E 8.46 4.00 0.00 2.17 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 2.36 0.00 870 L 8.20 4.06 0.00 1.84 1.71 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 871 E 8.24 4.01 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.65 0.00 872 E 8.26 3.90 0.00 2.28 2.02 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 2.30 2.35 0.00 873 Q 8.09 3.93 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 874 N 8.44 4.20 0.00 3.01 3.02 0.00 0.00 6.90 7.26 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 0.00 875 V 7.66 3.64 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 0.98 0.00 0.00 0.97 0.00 0.00 876 T 8.00 4.06 4.40 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 1.20 0.00 0.00 877 L 8.35 3.96 0.00 1.85 1.71 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 878 L 7.85 4.04 0.00 1.94 1.75 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 879 E 8.16 4.02 0.00 2.17 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 2.34 2.61 0.00 880 Q 8.39 3.96 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 881 K 8.55 3.69 0.00 1.87 1.66 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.52 7.81 882 N 8.28 4.56 0.00 3.00 3.06 0.00 0.00 7.27 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 D 8.08 4.32 0.00 2.94 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 0.00 884 L 7.92 3.96 0.00 1.55 1.55 0.78 0.90 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 0.00 885 F 8.31 4.56 0.00 3.30 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 886 G 8.14 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 887 S 8.53 4.17 0.00 3.97 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 0.00 888 M 8.52 4.06 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 889 K 7.87 4.24 0.00 1.91 1.97 0.00 1.71 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 1.49 7.81 890 Q 7.89 4.00 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 891 L 8.15 3.97 0.00 1.89 1.72 0.93 0.87 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 0.00 892 E 8.72 3.97 0.00 2.10 2.02 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 2.35 2.65 0.00 893 D 8.33 4.37 0.00 2.84 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 0.00 894 K 7.90 3.93 0.00 2.04 1.98 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 895 V 8.11 3.64 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.99 0.00 0.00 896 E 8.32 3.95 0.00 2.20 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 0.00 2.49 2.45 0.00 897 E 8.23 3.91 0.00 2.15 2.12 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 2.31 2.35 0.00 898 L 8.37 3.99 0.00 1.82 1.72 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 899 L 8.10 4.03 0.00 2.00 1.72 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 900 S 8.01 4.06 0.00 3.91 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 901 K 8.28 3.97 0.00 1.99 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.62 7.81 902 N 8.71 4.47 0.00 2.96 2.92 0.00 0.00 6.69 7.02 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 0.00 903 Y 8.04 4.07 0.00 3.06 3.24 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 0.00 904 H 8.70 4.07 0.00 3.35 3.39 0.00 5.86 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 0.00 905 L 7.91 3.98 0.00 1.95 1.71 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 906 E 8.37 3.96 0.00 2.03 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 2.33 2.68 0.00 907 N 7.93 4.20 0.00 2.70 2.67 0.00 0.00 7.03 7.82 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 0.00 908 E 8.08 4.03 0.00 2.17 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 2.31 2.30 0.00 909 V 7.79 3.64 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 910 A 7.69 4.09 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 0.00 911 R 8.00 3.79 0.00 1.87 2.03 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 912 L 8.01 3.80 0.00 1.82 1.69 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 913 K 7.80 3.95 0.00 2.09 1.78 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 914 K 7.85 4.32 0.00 1.86 1.82 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 915 L 7.00 4.28 0.00 1.80 1.85 0.91 0.92 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 0.00 916 V 7.71 3.95 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 0.86 0.00 0.00 1.00 0.00 0.00 917 G 9.80 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 0.00 918 E 8.45 4.84 0.00 1.91 1.93 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 2.21 2.29 0.00 *919 R 7.70 4.21 0.00 1.78 1.61 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.