NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 5.3045 8.1827 119.4470 57.5962 41.5866 176.6624 2 V 3.4850 8.0603 120.3240 65.5915 31.2484 176.1610 3 N 4.3471 8.3798 115.9435 56.3603 38.9291 176.2220 4 Q 3.9986 8.2919 120.4716 59.7356 28.8983 178.0626 5 H 4.0883 8.4146 118.9807 59.3990 29.6391 177.2596 6 L 4.0497 8.2051 120.8265 57.7400 41.3490 178.9735 7 C 4.2522 8.7078 119.3566 62.5400 31.5355 175.7881 8 G 3.7440 8.2850 107.3107 47.8879 0.0000 175.5620 9 S 3.9598 7.7672 115.3175 61.6265 62.4752 176.0556 10 H 4.1015 7.8676 118.6450 58.6631 28.3680 177.8274 11 L 3.9396 8.1578 121.0888 57.8599 41.4789 179.7700 12 V 3.1720 7.5130 118.1212 65.6425 31.4462 177.7084 13 E 3.8791 7.8190 119.0218 59.1015 29.3934 178.7128 14 A 3.9854 7.9449 120.8846 54.9247 18.4000 179.4996 15 L 3.6232 7.9978 117.9669 57.9029 41.4313 178.8023 16 Y 4.2893 7.4595 119.3330 60.9564 38.4289 178.4396 17 L 3.8377 7.5249 117.4692 58.0508 41.8704 179.7503 18 V 3.7673 7.6938 110.9479 64.3118 31.7116 178.0732 19 C 4.3220 8.7931 116.7269 59.1819 28.6047 176.1348 20 G 3.7567 8.2990 108.3573 45.8928 0.0000 175.1923 21 E 3.9681 9.0861 122.1173 59.2332 29.2130 178.4004 22 R 3.8713 7.6328 116.5996 57.1705 30.3108 177.8736 23 G 3.8733 8.8289 106.1503 45.0598 0.0000 171.8988 24 F 4.8517 7.7582 114.2121 56.7825 40.3849 173.3069 *25 Y 4.5307 8.5769 119.9145 55.2233 37.6995 174.8135 26 F 4.8153 8.6394 126.7588 55.8016 41.8397 174.0021 27 T 4.0526 7.7543 122.0583 60.6299 69.7006 171.2270 28 P 4.2469 0.0000 0.0000 62.7339 31.5656 175.1590 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 5.30 0.00 3.10 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 2 V 8.06 3.48 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 1.09 0.00 0.00 0.98 0.00 0.00 3 N 8.38 4.35 0.00 2.83 2.89 0.00 0.00 6.71 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 4 Q 8.29 4.00 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 5 H 8.41 4.09 0.00 3.33 3.46 0.00 5.64 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 8.21 4.05 0.00 1.79 1.76 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.71 4.25 0.00 3.01 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 8 G 8.28 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 0.00 0.00 0.00 9 S 7.77 3.96 0.00 3.76 3.99 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 0.00 0.00 0.00 10 H 7.87 4.10 0.00 3.20 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.16 3.94 0.00 1.84 1.71 1.03 1.03 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 12 V 7.51 3.17 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 -0.15 0.00 0.00 13 E 7.82 3.88 0.00 2.01 2.02 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 2.29 2.37 0.00 14 A 7.94 3.99 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 15 L 8.00 3.62 0.00 0.64 0.52 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.46 4.29 0.00 3.20 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 17 L 7.52 3.84 0.00 1.81 1.69 1.17 0.78 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 18 V 7.69 3.77 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.97 0.00 0.00 19 C 8.79 4.32 0.00 3.17 3.26 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 0.00 20 G 8.30 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 0.00 0.00 0.00 21 E 9.09 3.97 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 7.63 3.87 0.00 1.93 2.03 0.00 3.25 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 23 G 8.83 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 7.76 4.85 0.00 3.16 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 *25 Y 8.58 4.53 0.00 2.35 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 0.00 0.00 0.00 0.00 26 F 8.64 4.82 0.00 3.26 3.11 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 0.00 0.00 0.00 27 T 7.75 4.05 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 1.13 0.00 0.00 28 P 0.00 4.25 0.00 2.08 1.73 0.00 3.68 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.