NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6435 8.1827 119.4096 57.1511 40.3979 175.0062 2 V 3.4907 8.6735 125.9928 64.3441 31.3799 175.9138 3 N 4.3140 8.5871 116.6505 56.4615 37.3117 176.2645 4 Q 4.0352 8.1820 121.3135 58.8832 29.1388 177.3642 5 H 4.2609 8.2865 119.3978 59.3920 29.7419 177.3332 6 L 4.0323 8.2977 120.9269 57.6529 41.4287 178.9805 7 C 4.2777 8.3320 119.1295 62.3495 31.5133 175.8034 8 G 3.7331 8.3119 107.4493 47.9021 0.0000 175.5517 9 S 3.9856 7.8500 115.1214 61.4557 62.2359 175.9989 10 H 4.3803 7.9708 118.8086 58.4111 28.4053 177.7388 11 L 3.9145 7.8376 121.0728 57.7481 41.4698 179.6995 12 V 3.1533 7.4180 118.1447 65.6665 31.2397 177.9941 13 E 3.9215 7.8613 118.0478 59.2955 29.2450 179.1524 14 A 3.9712 8.1675 121.0545 55.2604 18.4921 179.7292 15 L 3.6676 7.9537 117.8258 57.6925 40.9795 179.0432 16 Y 4.3365 7.7578 119.5949 60.7757 38.5032 178.4112 17 L 3.8376 7.3933 118.5967 57.7142 41.9015 179.2952 18 V 3.6823 7.6986 117.0480 66.2816 31.7175 177.5192 19 C 4.3232 8.8004 116.4003 60.0278 28.6377 175.1785 20 G 3.6352 8.1904 109.1057 46.1693 0.0000 176.7179 21 E 4.0083 8.9096 121.8658 59.1311 29.4821 178.3968 22 R 3.9192 7.7407 117.3922 57.1594 30.4476 178.1793 23 G 3.8689 8.2519 105.7513 46.4125 0.0000 172.1655 24 F 4.7592 7.3464 110.8326 56.7433 39.7717 172.3661 25 Y 4.5247 8.9564 119.1804 56.2334 39.8451 175.8259 26 F 4.7319 8.8631 125.5861 56.5886 40.2118 173.7528 27 T 4.2974 7.9297 120.0255 59.2059 68.5533 173.3750 *28 P 4.2054 0.0000 0.0000 62.7919 31.4860 175.8898 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 1 F 8.18 4.64 0.00 3.15 3.28 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 2 V 8.67 3.49 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.95 0.00 0.00 3 N 8.59 4.31 0.00 2.99 3.13 0.00 0.00 5.84 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.18 4.04 0.00 2.20 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 5 H 8.29 4.26 0.00 3.46 3.58 0.00 5.83 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 6 L 8.30 4.03 0.00 1.77 1.74 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.33 4.28 0.00 3.09 3.12 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 0.00 0.00 0.00 8 G 8.31 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.85 3.99 0.00 3.74 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 10 H 7.97 4.38 0.00 3.16 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.84 3.91 0.00 1.77 1.67 1.13 0.86 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 12 V 7.42 3.15 1.82 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 1.10 0.00 0.00 0.10 0.00 0.00 13 E 7.86 3.92 0.00 2.12 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 2.24 2.44 0.00 14 A 8.17 3.97 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 15 L 7.95 3.67 0.00 0.54 0.46 0.77 0.55 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 16 Y 7.76 4.34 0.00 3.27 3.19 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 17 L 7.39 3.84 0.00 1.77 1.69 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.70 3.68 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 0.80 0.00 0.00 0.96 0.00 0.00 19 C 8.80 4.32 0.00 3.18 3.19 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 20 G 8.19 3.64 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 21 E 8.91 4.01 0.00 1.95 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 2.31 2.32 0.00 22 R 7.74 3.92 0.00 1.88 2.04 0.00 3.27 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 23 G 8.25 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 0.00 0.00 0.00 24 F 7.35 4.76 0.00 3.23 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 25 Y 8.96 4.52 0.00 2.97 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 26 F 8.86 4.73 0.00 3.33 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.93 4.30 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 1.30 0.00 0.00 *28 P 0.00 4.21 0.00 1.87 1.94 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.