NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9520 8.2085 108.0098 46.1332 0.0000 172.1680 2 A 4.4706 8.3435 128.4770 48.5134 20.9080 174.7865 3 Q 4.1507 7.9866 128.0633 55.2016 27.3458 173.2420 4 V 3.9891 7.4133 119.0936 62.6267 32.6214 175.6624 5 S 4.8083 8.1830 123.8921 57.1750 65.9772 173.0671 6 R 4.9758 8.0970 120.1153 55.5538 32.8284 174.6627 7 Q 4.3789 8.5169 122.2502 56.8596 33.9862 173.3674 *23 S 4.8835 7.7480 111.2299 59.0195 63.4231 173.2415 24 L 4.5414 8.2081 128.8927 53.7190 42.0720 173.8386 25 N 4.9179 8.4938 121.9415 52.5543 39.8937 173.5662 26 Y 4.8389 8.1179 124.1278 56.1029 41.3806 174.5013 27 F 4.7558 8.7063 124.2017 55.3103 39.4930 174.1856 28 N 4.3989 6.7757 123.5094 52.3775 37.3652 172.7383 29 I 4.6705 7.3733 121.6119 60.1664 38.6581 175.3430 30 N 4.6496 8.0952 125.0249 51.9636 39.5633 173.8301 31 Y 4.0453 8.3937 124.7644 59.6200 38.3079 175.9966 32 F 5.0339 7.9409 116.5291 55.6443 42.2392 174.4980 33 K 4.5540 8.7176 119.5379 56.4841 32.0206 176.4414 34 D 5.0277 7.8342 118.4339 52.1620 43.9148 177.0959 35 A 4.0026 8.6115 125.0660 55.0942 18.7465 179.8312 36 A 4.0760 7.9716 117.8120 55.2290 18.6595 178.9738 37 S 4.2367 7.7605 112.0288 61.2883 63.0440 175.1640 38 S 4.4687 7.6304 114.4281 57.6759 63.5646 175.0624 39 G 3.8765 8.2658 109.3158 44.7936 0.0000 173.1901 40 A 4.1059 8.4902 121.7961 52.5731 18.8321 178.0743 41 S 4.4578 8.2829 116.2940 57.9931 63.8101 174.6753 42 R 4.2570 8.2392 121.2884 56.0923 30.7020 176.1194 43 L 4.5734 8.1752 119.2062 54.2896 43.7099 176.7346 44 D 4.8963 8.6246 119.2094 53.7577 39.5069 174.3717 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 3.95 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 0.00 0.00 0.00 2 A 8.34 4.47 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 3 Q 7.99 4.15 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 4 V 7.41 3.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 1.12 0.00 0.00 5 S 8.18 4.81 0.00 3.85 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 6 R 8.10 4.98 0.00 1.86 1.68 0.00 3.25 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 7 Q 8.52 4.38 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.35 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 *23 S 7.75 4.88 0.00 3.97 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.54 0.00 1.80 1.53 0.94 0.66 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 25 N 8.49 4.92 0.00 2.72 2.36 0.00 0.00 6.98 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 26 Y 8.12 4.84 0.00 2.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.76 0.00 2.93 2.82 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 28 N 6.78 4.40 0.00 1.86 2.32 0.00 0.00 7.10 7.82 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 29 I 7.37 4.67 1.24 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.17 0.31 0.00 0.00 30 N 8.10 4.65 0.00 2.60 2.62 0.00 0.00 7.12 7.54 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 31 Y 8.39 4.05 0.00 2.33 2.24 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 32 F 7.94 5.03 0.00 3.05 2.95 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 33 K 8.72 4.55 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.50 7.81 34 D 7.83 5.03 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.00 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 7.97 4.08 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 7.76 4.24 0.00 4.16 4.13 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 38 S 7.63 4.47 0.00 3.97 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 8.27 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.11 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 8.28 4.46 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 8.24 4.26 0.00 1.82 1.87 0.00 3.22 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 1.65 1.68 0.00 43 L 8.18 4.57 0.00 1.62 1.58 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.62 4.90 0.00 2.93 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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.