NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 885 G 3.8630 8.3549 109.7364 44.2477 0.0000 175.1134 886 S 4.4430 7.6660 116.5636 55.8208 65.4026 171.9476 887 S 3.5614 9.6035 114.2824 59.5817 61.0448 169.0997 888 G 3.9096 8.3580 116.0474 44.9131 0.0000 174.1746 889 S 4.1555 8.9054 119.8306 61.2723 62.6540 174.9114 890 S 4.4666 7.9325 112.0677 59.3544 63.0845 174.3126 891 G 3.9070 7.8368 109.7247 44.6777 0.0000 174.4432 892 Q 4.3478 7.7639 120.6795 55.0171 30.9994 172.3462 893 Y 4.6350 8.6839 126.3181 55.9607 41.3048 175.1482 894 C 5.0275 8.8658 124.9549 57.5435 28.3457 172.4813 895 W 5.0752 8.7127 119.3621 53.8010 27.7677 173.6381 896 Q 4.2341 8.3769 122.5065 55.1838 29.5135 174.2233 897 H 4.8756 8.1413 119.0577 53.9872 33.0400 173.4170 898 R 4.2271 8.6228 118.9809 56.7684 30.4289 175.9429 899 F 4.1516 8.3642 121.6104 55.8419 40.7222 174.2019 900 P 2.0000 0.0000 0.0000 61.7817 30.0963 176.8816 901 T 3.7880 7.3126 116.7593 63.1436 68.8764 175.9416 902 G 4.6388 6.8929 120.9788 46.3244 0.0000 172.2549 903 Y 4.4393 7.7198 118.0144 57.5415 39.5294 174.8921 904 F 5.3809 8.6556 120.8152 56.6074 39.4329 172.3026 905 S 4.3593 7.7759 116.7586 57.3748 66.1261 171.8741 906 I 4.3381 7.6830 122.5361 59.6068 38.4976 175.5447 907 C 4.1128 8.8219 124.9939 58.6223 31.5215 173.9091 908 D 4.3190 8.5502 128.2929 57.5637 40.4319 179.0300 909 R 3.8884 7.9187 117.8268 59.3840 29.9577 178.2893 910 Y 3.9187 7.8564 117.1530 61.0796 38.9797 177.3234 911 M 4.0061 8.2105 118.5098 58.5358 32.0908 178.2423 912 N 4.5198 8.3820 115.9810 54.5557 38.7508 176.8618 913 G 4.5277 6.5332 117.4040 46.3588 0.0000 172.2787 914 T 4.5963 7.4387 114.5146 59.3304 70.4489 172.4229 915 C 4.9582 8.4249 127.0020 56.7515 34.2915 172.0674 916 P 4.3745 0.0000 0.0000 66.0718 30.6501 177.1974 917 E 3.9053 7.6625 117.6385 56.0610 31.4292 178.6092 918 G 4.2247 8.9564 110.0600 44.7517 0.0000 173.8103 919 N 4.6537 9.2911 116.5793 54.6283 39.0918 176.4332 920 S 4.5979 7.8287 113.2528 58.7191 63.3397 173.6855 921 C 4.4745 7.9349 119.8128 58.6295 32.2832 173.1436 922 K 4.5491 8.1317 121.9198 57.2089 33.0052 176.9797 923 F 5.0471 7.7297 117.2756 55.9415 40.6096 174.9697 924 A 2.9584 8.6492 125.0047 52.1187 19.1021 176.8850 925 H 3.5876 7.3345 116.5939 51.0001 28.6787 173.1886 926 G 4.2356 8.6944 109.8142 45.2938 0.0000 172.3486 927 N 3.9789 9.1595 123.6295 56.0379 37.0377 176.5169 928 A 3.6908 8.2987 124.0797 54.5433 18.4307 178.7768 929 E 3.6405 7.8553 117.4362 59.4638 29.5073 178.5390 930 L 3.7215 7.6477 119.3562 58.7528 41.4792 178.2120 931 H 4.2273 7.8059 115.2668 59.3761 28.6614 177.3456 932 E 4.0236 8.0524 119.5494 59.2743 29.3727 179.1350 933 W 4.3372 8.5268 119.0471 60.2904 29.0052 178.1465 934 E 3.9632 8.4667 117.0499 59.9118 29.1515 179.5133 935 E 4.0797 7.9308 117.9440 59.3375 29.6091 179.2032 936 R 3.9167 8.3878 118.2732 59.6102 30.1644 178.9725 937 R 3.9205 7.8372 118.1519 59.2889 29.9203 177.7456 938 D 4.4118 8.0227 116.2793 56.5326 41.3462 177.5483 939 A 4.2429 7.7134 121.4047 54.9960 18.5215 179.5452 940 L 3.9658 8.0459 117.9340 57.8555 41.9565 179.5952 941 K 3.8153 8.3000 118.4391 60.0557 31.7879 178.1440 942 M 4.0708 7.4063 117.5809 57.7270 30.7795 177.1965 943 K 4.4584 8.1671 116.2131 56.6731 34.8140 176.5285 944 L 4.3499 7.2341 117.7133 53.9637 42.3567 175.0892 945 N 5.0900 8.1474 116.7515 50.8852 40.5141 174.6985 946 K 3.8661 8.5924 118.6927 59.0046 32.4667 176.1145 947 A 4.0532 7.9431 127.2354 52.7141 17.8046 176.1870 948 S 4.4812 9.5655 114.4855 58.4772 65.0618 175.0724 949 G 4.1855 7.4836 109.5076 43.9527 0.0000 170.3851 950 P 4.2718 0.0000 0.0000 64.6585 31.5659 177.2993 951 S 3.6560 7.9726 112.6804 59.1277 60.4129 173.7332 952 S 4.2403 8.1069 114.7528 58.3489 60.7576 173.6891 953 G 4.3680 8.3398 113.2477 45.4947 0.0000 170.7576 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 885 G 8.35 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 886 S 7.67 4.44 0.00 3.95 3.83 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 0.00 0.00 0.00 887 S 9.60 3.56 0.00 3.98 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 G 8.36 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 889 S 8.91 4.16 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 890 S 7.93 4.47 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 891 G 7.84 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 892 Q 7.76 4.35 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 893 Y 8.68 4.64 0.00 2.99 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 0.00 894 C 8.87 5.03 0.00 3.09 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 0.00 895 W 8.71 5.08 0.00 3.63 3.23 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 0.00 896 Q 8.38 4.23 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.69 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 897 H 8.14 4.88 0.00 3.17 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 898 R 8.62 4.23 0.00 2.22 2.07 0.00 3.42 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 899 F 8.36 4.15 0.00 2.92 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 0.00 900 P 0.00 2.00 0.00 1.85 1.43 0.00 2.20 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.50 0.00 901 T 7.31 3.79 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 1.18 0.00 0.00 902 G 6.89 4.64 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 0.00 0.00 0.00 903 Y 7.72 4.44 0.00 3.31 3.17 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 0.00 904 F 8.66 5.38 0.00 2.94 3.07 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 0.00 905 S 7.78 4.36 0.00 3.99 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 0.00 906 I 7.68 4.34 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.90 0.87 0.00 0.00 907 C 8.82 4.11 0.00 3.18 3.01 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 0.00 908 D 8.55 4.32 0.00 2.61 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 0.00 909 R 7.92 3.89 0.00 1.96 2.18 0.00 3.23 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 910 Y 7.86 3.92 0.00 2.57 3.01 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 0.00 911 M 8.21 4.01 0.00 1.93 2.19 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 2.61 2.80 0.00 912 N 8.38 4.52 0.00 2.90 2.83 0.00 0.00 7.07 8.16 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 0.00 913 G 6.53 4.53 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 0.00 0.00 0.00 914 T 7.44 4.60 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 1.20 0.00 0.00 915 C 8.42 4.96 0.00 3.11 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 0.00 916 P 0.00 4.37 0.00 2.25 2.19 0.00 3.91 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 917 E 7.66 3.91 0.00 2.06 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 2.36 2.29 0.00 918 G 8.96 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 0.00 0.00 0.00 0.00 919 N 9.29 4.65 0.00 2.85 2.98 0.00 0.00 5.97 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 0.00 920 S 7.83 4.60 0.00 3.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 921 C 7.93 4.47 0.00 2.97 2.83 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 0.00 0.00 0.00 922 K 8.13 4.55 0.00 1.15 1.53 0.00 0.61 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.62 0.21 7.81 923 F 7.73 5.05 0.00 3.12 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 0.00 924 A 8.65 2.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 925 H 7.33 3.59 0.00 2.79 1.61 0.00 5.65 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 0.00 926 G 8.69 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 0.00 0.00 0.00 927 N 9.16 3.98 0.00 3.00 3.09 0.00 0.00 6.10 7.85 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 0.00 928 A 8.30 3.69 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 0.00 929 E 7.86 3.64 0.00 1.89 1.62 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 1.68 2.17 0.00 930 L 7.65 3.72 0.00 1.62 1.82 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 931 H 7.81 4.23 0.00 3.38 3.39 0.00 5.69 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 0.00 932 E 8.05 4.02 0.00 2.46 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.86 0.00 933 W 8.53 4.34 0.00 3.54 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 0.00 934 E 8.47 3.96 0.00 2.20 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 2.72 2.72 0.00 935 E 7.93 4.08 0.00 2.12 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 2.43 2.18 0.00 936 R 8.39 3.92 0.00 1.54 0.96 0.00 3.14 0.00 0.00 2.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.81 0.00 937 R 7.84 3.92 0.00 1.73 1.86 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 938 D 8.02 4.41 0.00 2.91 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 0.00 939 A 7.71 4.24 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 0.00 940 L 8.05 3.97 0.00 1.87 1.76 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 941 K 8.30 3.82 0.00 1.96 2.10 0.00 1.52 0.00 0.00 2.00 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.75 1.52 7.81 942 M 7.41 4.07 0.00 2.35 2.29 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.83 0.00 943 K 8.17 4.46 0.00 1.83 1.92 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.36 7.81 944 L 7.23 4.35 0.00 1.73 1.63 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 945 N 8.15 5.09 0.00 2.76 2.75 0.00 0.00 6.00 7.37 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 0.00 946 K 8.59 3.87 0.00 1.73 1.85 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.42 7.81 947 A 7.94 4.05 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 0.00 948 S 9.57 4.48 0.00 3.93 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 0.00 949 G 7.48 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 0.00 0.00 0.00 0.00 950 P 0.00 4.27 0.00 2.19 2.19 0.00 3.91 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 0.00 951 S 7.97 3.66 0.00 3.96 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 0.00 952 S 8.11 4.24 0.00 3.83 3.80 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 0.00 953 G 8.34 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