NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 798 I 3.9876 8.0249 121.4358 60.1366 37.9038 175.2395 799 P 4.1016 0.0000 0.0000 61.7121 31.6549 176.1077 800 A 3.9565 8.5585 124.0670 55.0965 19.5568 179.9317 801 W 4.2607 8.2702 112.1286 58.9718 28.2651 177.0241 802 A 4.1416 6.8374 120.8901 51.2236 17.9945 176.3836 803 S 4.5490 7.6700 111.1541 58.7298 67.2214 175.7952 804 G 3.9177 8.2982 109.6992 47.3133 0.0000 176.6414 805 N 4.4124 8.6880 119.9957 56.1484 38.9219 176.6619 806 L 4.0289 7.8656 120.3025 57.5031 41.7982 178.9580 807 L 4.1875 7.5705 121.1121 58.0110 42.0629 178.7723 808 T 3.8688 7.6724 115.1565 66.9667 68.4530 176.0496 809 Q 4.0286 8.2501 119.4033 59.2791 28.8557 179.4469 810 A 4.0526 7.9474 120.7880 55.2515 18.4426 179.6428 811 I 3.7134 8.2817 118.7745 64.5629 37.2099 178.6677 812 R 3.9900 8.3151 119.5854 59.6645 29.9030 178.5116 813 Q 4.1555 8.3713 117.9201 59.1537 28.4615 178.7609 814 Q 3.9836 8.1300 119.7705 59.1029 29.1493 177.2846 815 Y 4.0658 7.8615 119.9118 60.8577 38.9738 177.1324 816 Y 4.4205 7.8770 115.4456 58.4482 39.5739 176.0551 817 K 4.6104 7.9346 119.3723 53.5003 32.1065 173.3366 818 P 4.3345 0.0000 0.0000 62.2905 32.3365 177.5578 819 I 4.1287 7.9817 115.3376 60.0449 39.1087 176.6746 820 D 4.5859 8.0906 120.5334 53.3927 38.9131 176.5429 821 V 3.2983 7.8493 117.9787 63.7855 31.6584 177.3175 822 D 4.5069 8.1868 118.5219 56.7790 40.4294 178.1961 823 R 4.0876 7.6822 117.8353 58.9085 30.5726 177.7328 824 M 3.9194 8.3904 117.5594 57.9644 32.5223 176.1753 825 Y 4.7418 7.3924 114.3343 59.2608 40.7395 177.9738 826 G 3.7538 8.5953 107.4463 47.7904 0.0000 174.2943 827 T 4.1836 7.7258 112.5550 63.1554 67.9331 174.8937 828 I 3.9396 7.2870 122.1099 60.9084 37.6541 175.6786 829 D 4.4968 8.6245 124.2239 54.8483 41.2920 176.0735 830 S 4.8523 8.2158 118.3059 55.5421 65.5854 172.4167 831 P 4.5309 0.0000 0.0000 61.8381 31.7422 176.4760 832 K 4.0019 8.8812 121.4656 56.6360 32.6489 177.8360 833 L 4.0239 8.7197 123.0930 57.9609 41.3167 179.6299 834 E 4.1188 8.2265 116.2842 58.3800 29.8735 177.7195 835 E 4.5963 8.1474 117.3683 56.5314 29.9165 177.7593 836 L 4.0404 7.5836 120.8890 57.5418 41.6576 177.6368 837 F 4.5735 8.0104 114.6189 57.2084 39.1964 174.9001 838 N 5.2479 7.5019 120.1263 51.2024 41.0934 174.5653 839 K 4.1156 8.5622 117.8197 57.4138 32.7221 177.2077 840 S 4.3281 8.4256 114.9024 58.5196 63.0516 173.9072 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 798 I 8.02 3.99 1.76 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 1.30 0.99 0.68 0.00 0.00 799 P 0.00 4.10 0.00 1.71 2.04 0.00 3.28 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 800 A 8.56 3.96 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 0.00 801 W 8.27 4.26 0.00 3.57 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 802 A 6.84 4.14 -0.04 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 0.00 0.00 803 S 7.67 4.55 0.00 3.92 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 0.00 804 G 8.30 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 0.00 0.00 0.00 805 N 8.69 4.41 0.00 2.78 2.83 0.00 0.00 6.93 6.66 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 0.00 806 L 7.87 4.03 0.00 1.99 1.80 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 807 L 7.57 4.19 0.00 2.00 1.67 1.06 0.60 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 0.00 808 T 7.67 3.87 4.27 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 1.23 0.00 0.00 809 Q 8.25 4.03 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 810 A 7.95 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 811 I 8.28 3.71 2.05 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 1.67 0.88 0.92 0.00 0.00 812 R 8.32 3.99 0.00 1.97 2.19 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 813 Q 8.37 4.16 0.00 2.43 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 814 Q 8.13 3.98 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 815 Y 7.86 4.07 0.00 2.84 2.87 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 0.00 816 Y 7.88 4.42 0.00 3.13 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 0.00 817 K 7.93 4.61 0.00 1.92 1.74 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.40 7.81 818 P 0.00 4.33 0.00 2.13 1.97 0.00 3.78 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 1.94 1.85 0.00 819 I 7.98 4.13 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 0.90 0.00 0.00 820 D 8.09 4.59 0.00 2.69 2.54 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 0.00 821 V 7.85 3.30 2.27 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 0.92 0.00 0.00 0.97 0.00 0.00 822 D 8.19 4.51 0.00 2.89 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 0.00 823 R 7.68 4.09 0.00 1.81 1.92 0.00 3.22 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 824 M 8.39 3.92 0.00 1.00 1.91 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 825 Y 7.39 4.74 0.00 3.21 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 0.00 826 G 8.60 3.75 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 0.00 0.00 0.00 827 T 7.73 4.18 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 1.24 0.00 0.00 828 I 7.29 3.94 2.02 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 1.50 1.01 0.94 0.00 0.00 829 D 8.62 4.50 0.00 2.67 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 0.00 830 S 8.22 4.85 0.00 3.83 3.74 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 0.00 831 P 0.00 4.53 0.00 2.16 2.05 0.00 3.38 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 832 K 8.88 4.00 0.00 2.01 1.80 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.48 7.81 833 L 8.72 4.02 0.00 1.71 1.77 0.94 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 0.00 834 E 8.23 4.12 0.00 2.15 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 0.00 2.30 2.39 0.00 835 E 8.15 4.60 0.00 2.22 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 0.00 2.51 2.33 0.00 836 L 7.58 4.04 0.00 1.73 1.50 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 837 F 8.01 4.57 0.00 3.02 3.08 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 0.00 838 N 7.50 5.25 0.00 2.86 2.78 0.00 0.00 6.89 7.74 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 0.00 839 K 8.56 4.12 0.00 1.75 1.75 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.45 7.81 840 S 8.43 4.33 0.00 3.91 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