NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 854 G 3.8852 8.3393 109.7378 45.5980 0.0000 173.4077 855 S 4.4963 7.8935 115.5300 55.6140 66.1481 173.7592 856 Q 3.8829 8.5339 122.0897 59.2271 29.1649 178.7104 857 L 3.9420 7.9883 121.1168 58.4326 41.9833 179.0508 858 S 4.1329 8.0499 113.8104 61.2156 63.0051 175.9959 859 S 4.0859 8.0416 116.8969 61.5449 62.0957 176.1506 860 E 4.0105 8.4067 121.0329 59.5755 28.9627 179.5518 861 I 3.7901 7.8552 119.0107 64.4545 37.2460 178.0683 862 E 4.1626 8.3070 118.7542 59.3276 29.5791 178.6260 863 N 4.5648 8.3354 117.2790 56.3373 38.8618 177.8034 864 L 4.5199 7.9507 119.0057 55.2823 40.6590 179.2593 *866 S 4.3975 8.1068 117.3078 58.8676 64.6732 175.9487 867 Q 3.7680 7.7612 116.6499 56.8947 28.6247 177.0019 868 G 3.9298 7.6302 107.1168 45.0579 0.0000 173.3978 869 Y 4.5366 7.3849 118.9216 57.4606 38.7333 175.6979 870 S 4.4996 8.6364 119.0240 58.2191 65.2386 174.6098 871 Y 4.1047 8.7663 124.8845 61.2083 38.4358 178.4925 872 Q 3.8663 8.2424 119.7086 59.3286 29.1424 177.8013 873 D 4.3303 8.2425 119.8161 57.4046 40.7617 178.9461 874 I 3.5814 7.7172 120.1530 64.3947 37.1241 178.4138 875 Q 3.7987 7.8680 119.0101 58.9224 28.4632 179.1900 876 K 3.8818 8.1472 119.2661 59.3617 31.9942 179.2964 877 A 3.9092 8.0788 121.0649 55.1941 18.3230 179.7166 878 L 3.8874 8.1066 117.8087 57.6795 41.5365 179.9979 879 V 3.4973 7.8675 118.2042 66.1283 31.3362 178.0782 880 I 3.6428 7.6409 117.9660 64.3125 37.3212 177.6819 881 A 4.1451 8.3773 119.4636 51.7936 18.3949 177.1168 882 Q 3.5342 8.6744 115.6743 57.5316 26.8451 173.6943 883 N 4.0857 8.6181 109.7207 53.9855 37.1225 174.3767 884 N 4.5180 7.9719 117.1789 53.0408 38.8768 174.9629 885 I 3.8086 8.4626 127.8002 64.5962 37.6992 178.9372 886 E 4.0692 7.8005 117.0528 56.9529 29.1777 178.0824 *888 A 4.2301 8.1278 121.7129 51.6792 20.6756 179.8127 889 K 3.7954 8.2250 115.4551 59.7132 31.9994 179.1999 890 N 4.3065 8.0556 116.2814 56.3458 38.4961 177.3064 891 I 3.8801 7.7604 120.5457 64.5381 37.2185 178.3196 892 L 3.7869 7.8636 119.4937 57.6906 41.1492 179.3964 893 R 4.2346 7.8764 118.8875 59.0278 30.0908 177.9248 894 E 4.0909 8.1665 116.3200 57.7297 29.7428 177.2535 895 F 4.7990 8.3604 113.9120 56.3943 41.2676 174.6632 896 A 4.7740 8.2305 123.5492 50.0901 20.6065 176.6300 897 A 4.2415 8.5238 123.5824 51.7761 19.3008 177.0640 898 A 4.6815 8.4006 123.9788 50.1621 21.4288 176.5412 899 S 4.2368 8.8377 117.3432 58.4098 63.1477 173.9086 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 854 G 8.34 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 0.00 855 S 7.89 4.50 0.00 4.06 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 0.00 856 Q 8.53 3.88 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 857 L 7.99 3.94 0.00 1.75 1.67 0.92 0.87 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 0.00 858 S 8.05 4.13 0.00 4.16 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 0.00 859 S 8.04 4.09 0.00 4.03 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 0.00 860 E 8.41 4.01 0.00 2.18 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 2.57 2.51 0.00 861 I 7.86 3.79 2.06 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 1.52 0.59 1.04 0.00 0.00 862 E 8.31 4.16 0.00 2.10 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 0.00 2.38 2.50 0.00 863 N 8.34 4.56 0.00 2.88 2.97 0.00 0.00 7.18 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 0.00 864 L 7.95 4.52 0.00 1.96 1.82 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *866 S 8.11 4.40 0.00 4.11 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 0.00 867 Q 7.76 3.77 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.55 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 868 G 7.63 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 0.00 869 Y 7.38 4.54 0.00 3.12 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 0.00 870 S 8.64 4.50 0.00 4.13 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 0.00 871 Y 8.77 4.10 0.00 3.09 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 872 Q 8.24 3.87 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 873 D 8.24 4.33 0.00 2.94 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 0.00 874 I 7.72 3.58 1.89 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 1.50 0.84 0.83 0.00 0.00 875 Q 7.87 3.80 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 876 K 8.15 3.88 0.00 1.91 1.80 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.59 7.81 877 A 8.08 3.91 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 0.00 878 L 8.11 3.89 0.00 1.74 1.68 0.89 1.06 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 0.00 879 V 7.87 3.50 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 1.08 0.00 0.00 0.93 0.00 0.00 880 I 7.64 3.64 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.75 0.85 0.00 0.00 881 A 8.38 4.15 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 0.00 882 Q 8.67 3.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 883 N 8.62 4.09 0.00 2.77 2.86 0.00 0.00 6.79 7.97 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 0.00 884 N 7.97 4.52 0.00 2.68 2.91 0.00 0.00 7.08 7.50 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 0.00 885 I 8.46 3.81 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 1.29 0.49 0.90 0.00 0.00 886 E 7.80 4.07 0.00 2.12 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 0.00 2.30 2.26 0.00 *888 A 8.13 4.23 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 0.00 889 K 8.23 3.80 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.67 7.81 890 N 8.06 4.31 0.00 2.78 2.89 0.00 0.00 7.03 7.20 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 0.00 891 I 7.76 3.88 2.01 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 1.65 0.70 0.90 0.00 0.00 892 L 7.86 3.79 0.00 1.25 0.23 0.59 0.47 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 0.00 893 R 7.88 4.23 0.00 1.91 1.97 0.00 3.10 0.00 0.00 3.10 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 894 E 8.17 4.09 0.00 1.91 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 2.38 2.38 0.00 895 F 8.36 4.80 0.00 3.20 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 0.00 896 A 8.23 4.77 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 897 A 8.52 4.24 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 0.00 898 A 8.40 4.68 0.71 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 0.00 0.00 899 S 8.84 4.24 0.00 3.90 3.77 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.