NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 849 S 4.8071 8.3193 115.5707 58.2622 64.6703 172.5569 850 W 5.1662 7.9497 116.7094 54.5989 31.7502 172.2265 851 D 4.9467 9.0104 122.4335 53.4630 42.2136 177.0271 852 C 4.5649 8.7105 124.7834 59.5869 32.0513 174.0794 853 E 4.1761 9.2223 126.6985 58.1453 29.9565 177.6725 854 V 3.9259 7.9788 117.7519 65.1972 31.7126 176.0924 855 C 4.6639 7.8076 110.9462 57.0778 30.6400 174.9148 856 L 3.8941 8.1228 119.4741 54.8037 39.7583 174.6082 857 V 3.7206 7.0113 119.8454 62.7191 32.7123 174.7141 858 Q 4.1977 8.4686 128.8811 55.8796 29.4096 174.7464 859 N 4.6495 8.2557 124.1205 51.5505 41.7694 173.6541 860 K 4.4470 7.8439 116.8568 54.9316 34.4124 178.1142 861 A 4.2600 9.0239 125.4994 55.6837 18.3595 179.1155 862 D 4.5316 8.2533 113.5645 56.1257 39.6067 177.4955 863 S 4.2746 7.7658 114.5537 58.7109 63.4423 174.0396 864 T 4.2178 8.6626 118.3560 62.4064 67.8982 173.8294 865 K 5.2205 7.7236 118.2107 54.7451 36.0479 175.2619 866 C 4.3991 9.5691 121.6058 59.3217 31.8270 174.6659 867 I 3.7294 8.9703 127.6710 63.3133 37.6402 176.4637 868 A 4.2854 7.7214 122.6434 53.7276 19.6162 177.5183 869 C 4.4380 7.8130 107.5334 57.4273 30.6683 175.0778 870 E 4.0971 8.3312 119.1432 56.5491 27.7582 174.7409 871 S 4.4282 7.5259 114.9494 58.5260 63.8885 173.9540 872 A 4.6562 8.5151 125.2628 51.3464 19.3582 177.0797 873 K 3.2758 8.0938 121.8975 55.0059 32.8470 175.4756 874 P 4.3297 0.0000 0.0000 63.0280 31.2359 176.1203 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 849 S 8.32 4.81 0.00 4.21 3.95 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 0.00 0.00 0.00 850 W 7.95 5.17 0.00 3.49 3.16 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 0.00 851 D 9.01 4.95 0.00 2.64 2.64 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 0.00 852 C 8.71 4.56 0.00 2.88 2.77 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 0.00 853 E 9.22 4.18 0.00 2.02 2.03 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 2.32 2.39 0.00 854 V 7.98 3.93 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 0.91 0.00 0.00 0.98 0.00 0.00 855 C 7.81 4.66 0.00 3.09 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 0.00 856 L 8.12 3.89 0.00 1.85 1.89 0.92 0.94 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 0.00 857 V 7.01 3.72 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 0.83 0.00 0.00 0.87 0.00 0.00 858 Q 8.47 4.20 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.56 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 859 N 8.26 4.65 0.00 1.44 2.09 0.00 0.00 6.49 7.29 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 0.00 860 K 7.84 4.45 0.00 1.85 1.73 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.32 7.81 861 A 9.02 4.26 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 0.00 862 D 8.25 4.53 0.00 2.82 2.86 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 0.00 863 S 7.77 4.27 0.00 4.33 4.04 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 0.00 864 T 8.66 4.22 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 1.24 0.00 0.00 865 K 7.72 5.22 0.00 2.08 1.77 0.00 1.89 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.48 7.81 866 C 9.57 4.40 0.00 3.10 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 0.00 867 I 8.97 3.73 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.92 0.87 0.00 0.00 868 A 7.72 4.29 1.24 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 0.00 869 C 7.81 4.44 0.00 3.12 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 0.00 870 E 8.33 4.10 0.00 2.22 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 0.00 2.23 2.43 0.00 871 S 7.53 4.43 0.00 3.97 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 0.00 872 A 8.52 4.66 1.19 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 0.00 873 K 8.09 3.28 0.00 0.79 1.02 0.00 1.35 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 0.28 7.81 874 P 0.00 4.33 0.00 2.00 1.92 0.00 3.47 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00