NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9673 8.2085 108.0072 46.0488 0.0000 171.5325 2 A 4.7358 8.1677 127.1842 49.0490 21.8497 173.9013 3 Q 4.1181 8.6648 125.5536 55.2859 29.8487 172.4328 4 V 3.9209 7.9581 126.0244 61.6931 32.3919 175.0405 5 S 4.8704 8.4602 123.9760 56.9012 66.2579 173.1798 6 R 5.1841 8.0738 120.0237 54.6396 32.9305 174.6906 7 Q 4.3850 8.6323 120.6713 56.8988 34.0950 173.4233 *23 S 4.6561 7.7222 111.0911 58.8717 63.5581 172.9902 24 L 4.5552 8.3399 128.2394 53.7162 42.3499 174.5644 25 N 5.4960 8.4919 123.5663 51.5806 40.6866 173.3668 26 Y 5.0144 8.1577 123.8399 56.0376 41.5670 174.2728 27 F 4.6357 8.7383 124.4116 55.7029 41.0374 173.9914 28 N 4.3347 7.8540 124.5605 52.1537 37.6882 172.7306 29 I 4.3648 7.5584 122.7181 60.2765 38.6916 174.6276 30 N 4.6584 8.9578 126.5954 52.0483 39.4567 174.0605 31 Y 4.0536 8.4712 124.7372 59.5376 38.3650 175.7111 32 F 4.9988 7.9626 116.5449 55.6137 42.1951 174.8259 33 K 4.4884 8.7350 119.3360 56.4473 32.2294 176.4250 34 D 4.9804 7.8153 119.3531 52.0062 43.7788 176.7905 35 A 4.0117 8.8016 126.0275 55.2401 18.6458 179.5036 36 A 4.0872 8.0314 117.6014 55.3681 18.5960 178.9888 37 S 4.2282 7.8929 111.6819 61.2571 63.0568 175.2429 38 S 4.4483 7.6743 113.9496 57.7533 63.5189 175.1451 39 G 3.8852 8.2752 109.5903 44.7022 0.0000 173.1115 40 A 4.0820 8.5231 121.6921 52.6722 18.7784 178.1026 41 S 4.4294 8.3055 116.5621 58.0145 63.7533 174.5525 42 R 4.2829 8.2590 121.7112 55.9691 30.7788 175.8142 43 L 4.6367 8.0496 118.9551 53.4556 43.6627 176.7215 44 D 4.7231 9.0546 121.8590 53.6295 38.8212 175.6589 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 G 8.21 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.17 4.74 1.23 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 0.00 0.00 0.00 3 Q 8.66 4.12 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 4 V 7.96 3.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.95 0.00 0.00 5 S 8.46 4.87 0.00 3.85 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 6 R 8.07 5.18 0.00 1.88 1.68 0.00 3.07 0.00 0.00 2.26 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 7 Q 8.63 4.39 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.33 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 *23 S 7.72 4.66 0.00 3.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.34 4.56 0.00 1.66 1.58 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.49 5.50 0.00 2.77 2.47 0.00 0.00 7.10 7.48 0.00 0.00 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 Y 8.16 5.01 0.00 2.91 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.74 4.64 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.85 4.33 0.00 1.97 2.37 0.00 0.00 7.05 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.56 4.36 1.23 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.72 0.28 0.00 0.00 30 N 8.96 4.66 0.00 2.53 2.61 0.00 0.00 7.24 7.42 0.00 0.00 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 Y 8.47 4.05 0.00 2.41 2.28 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 32 F 7.96 5.00 0.00 3.07 2.97 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 0.00 0.00 0.00 0.00 33 K 8.73 4.49 0.00 1.80 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.51 7.81 34 D 7.82 4.98 0.00 2.68 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 35 A 8.80 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.03 4.09 1.29 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 0.00 0.00 0.00 37 S 7.89 4.23 0.00 4.18 4.05 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 0.00 0.00 0.00 0.00 38 S 7.67 4.45 0.00 4.02 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.28 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.52 4.08 1.28 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 0.00 0.00 41 S 8.31 4.43 0.00 3.89 3.82 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 0.00 0.00 0.00 0.00 42 R 8.26 4.28 0.00 1.82 1.89 0.00 3.20 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 43 L 8.05 4.64 0.00 1.60 1.57 0.92 1.10 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 44 D 9.05 4.72 0.00 2.85 2.97 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.