NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3331 0.0000 0.0000 62.5222 32.5053 176.1212 4 A 4.1121 7.5146 120.7343 51.7177 20.6204 176.2473 *9 W 5.0453 9.3117 121.7309 57.3359 32.0100 176.1566 10 T 3.9701 8.3566 112.9068 67.1934 68.2626 175.0048 11 C 4.1935 8.2791 118.0082 63.1653 28.3846 176.0791 12 I 3.8053 7.6796 115.8921 62.8891 36.5015 177.2981 *14 A 4.2632 8.0386 124.3510 52.2506 20.2701 178.9406 15 G 3.6972 8.0069 103.0987 48.8796 0.0000 176.3829 16 V 3.4959 7.6976 120.4306 62.9268 31.6880 176.4069 *18 V 3.7866 7.9014 114.5728 62.3136 32.4431 176.1246 *20 A 4.3173 7.9580 119.0226 51.1867 20.2559 178.4542 21 S 4.3681 8.1986 110.7600 60.2016 62.9549 174.2907 22 L 4.5467 7.4105 115.7690 57.1118 43.6638 176.6265 23 C 3.4837 7.5830 113.0324 58.0344 27.7960 171.1462 24 P 4.1896 0.0000 0.0000 62.6143 30.0584 176.0870 *27 K 4.2448 8.2176 119.4424 56.1005 34.2007 176.8100 28 C 4.2289 7.9023 113.3242 59.7107 30.3247 174.1013 *30 S 4.5262 7.9139 114.4143 57.9692 63.7382 174.0732 31 R 4.2818 7.8787 114.7830 57.2895 32.9601 174.7950 32 C 4.6270 8.1484 118.1029 60.2137 28.3070 172.8968 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 3 P 0.00 4.33 0.00 2.22 2.20 0.00 3.75 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 1.92 2.00 0.00 4 A 7.51 4.11 1.31 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 0.00 0.00 *9 W 9.31 5.05 0.00 3.48 3.22 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 10 T 8.36 3.97 4.29 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 0.00 0.00 0.00 1.25 0.00 0.00 11 C 8.28 4.19 0.00 2.97 2.99 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 12 I 7.68 3.81 2.23 0.00 0.00 0.52 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 0.66 1.07 0.00 0.00 *14 A 8.04 4.26 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.70 3.50 2.12 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 0.73 0.00 0.00 1.00 0.00 0.00 *18 V 7.90 3.79 2.21 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 0.88 0.00 0.00 0.94 0.00 0.00 *20 A 7.96 4.32 1.37 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 21 S 8.20 4.37 0.00 3.93 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 22 L 7.41 4.55 0.00 1.63 1.64 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 C 7.58 3.48 0.00 2.98 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 24 P 0.00 4.19 0.00 2.03 2.07 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 *27 K 8.22 4.24 0.00 1.89 1.97 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 28 C 7.90 4.23 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 S 7.91 4.53 0.00 3.88 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.88 4.28 0.00 1.78 1.89 0.00 3.53 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 32 C 8.15 4.63 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.