NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8560 8.3549 109.7360 45.2240 0.0000 173.1556 2 K 4.2612 8.4598 121.2595 52.4092 33.2231 174.5422 3 K 4.4170 8.2824 124.0044 55.5985 35.2809 176.8452 4 S 4.5826 8.1364 116.4254 57.0745 66.0907 175.2046 5 K 3.8950 8.4016 121.4208 59.4961 31.8124 178.1517 6 A 3.9275 7.9626 120.5102 55.5742 18.3632 179.1772 7 T 3.8078 7.6568 113.8662 67.0300 68.6423 176.5753 8 K 3.9370 8.2683 121.1322 59.2572 32.1171 179.0335 9 K 3.9656 7.9741 118.8625 59.5054 32.0241 179.4271 10 R 3.9209 8.1344 118.3332 59.3925 30.0275 179.1346 11 L 3.9964 8.1843 118.5540 57.5586 41.5812 179.4007 12 A 3.9702 8.0441 120.7154 55.0869 18.3081 179.4317 13 K 3.8388 8.1689 118.1176 59.8260 32.0191 178.7295 14 L 3.9923 7.7988 117.8470 57.9556 41.8097 178.8077 15 D 4.4631 8.1764 117.8872 57.3289 41.1112 177.8315 16 N 4.3345 8.2277 117.6158 56.7497 38.8097 176.6866 17 Q 4.2109 8.3013 118.1811 57.8306 28.7458 176.9325 18 N 4.7723 7.6367 117.7246 52.9922 39.1205 174.4665 19 S 4.5478 7.4078 114.1532 57.1712 64.8378 173.0958 20 R 4.3990 7.9526 120.1055 54.2054 31.3244 175.6955 21 V 3.5180 8.1184 122.3863 61.9976 31.9153 174.1477 22 P 4.2186 0.0000 0.0000 62.9354 31.7946 176.6626 23 A 3.9712 8.9860 123.3331 55.5013 18.0897 180.1333 24 W 4.2863 8.3037 114.3162 59.7781 28.0678 178.5284 25 V 3.0006 6.8788 119.0139 65.4793 30.7432 177.9145 26 M 3.9479 7.6692 118.7076 58.4632 31.3927 178.7444 27 L 4.0548 7.8446 118.5475 57.6208 41.6944 179.2455 28 K 4.1850 8.3937 118.8830 58.3892 32.2588 177.8708 29 T 4.4288 7.5207 107.4824 60.3727 69.3325 173.7009 30 D 4.3188 8.3544 119.2804 55.2501 39.2437 170.2507 31 E 3.7550 7.9086 123.2031 55.7302 30.1509 174.5688 *35 R 3.8386 8.2942 120.0529 56.0256 31.1630 174.6439 36 N 4.6475 8.4023 121.3230 52.1594 39.0575 173.7262 37 H 4.5605 8.5467 121.8072 56.7247 28.9714 176.2869 38 K 4.5810 8.0759 118.6704 55.9370 32.4136 176.3207 39 R 4.0029 7.9932 118.8750 56.1746 30.3098 176.1080 40 R 4.4882 8.4117 122.5023 54.5988 32.4467 173.8401 41 H 4.7608 8.6251 125.4258 54.6041 31.0129 175.8319 42 W 4.1829 8.6417 123.1657 59.4011 28.2928 177.3932 43 R 3.7900 6.2478 117.7303 58.4992 29.7152 177.6623 44 R 3.9286 7.7260 114.7951 58.1132 30.2690 176.1503 45 N 4.9759 8.0194 114.1573 51.2441 41.1937 173.2984 46 D 4.7190 8.1901 117.8842 52.7374 43.8622 175.3392 47 T 4.2859 8.3972 116.6188 60.9459 70.3051 173.1583 48 D 4.6265 8.2082 121.9014 53.6300 42.4915 176.8299 49 E 4.1914 8.6631 118.4060 56.9134 28.8449 175.1234 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 8.35 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 0.00 0.00 0.00 2 K 8.46 4.26 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.43 7.81 3 K 8.28 4.42 0.00 1.85 1.79 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.41 7.81 4 S 8.14 4.58 0.00 4.06 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 5 K 8.40 3.89 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 A 7.96 3.93 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 7 T 7.66 3.81 4.47 0.00 0.00 0.00 0.00 0.00 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 8 K 8.27 3.94 0.00 1.91 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.97 3.97 0.00 2.05 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.69 7.81 10 R 8.13 3.92 0.00 2.02 1.99 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 11 L 8.18 4.00 0.00 1.68 1.72 0.92 0.66 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 12 A 8.04 3.97 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.17 3.84 0.00 1.84 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.80 3.99 0.00 1.90 1.75 0.94 0.99 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 15 D 8.18 4.46 0.00 2.80 2.87 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 16 N 8.23 4.33 0.00 2.85 2.95 0.00 0.00 7.25 6.06 0.00 0.00 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 Q 8.30 4.21 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.08 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 18 N 7.64 4.77 0.00 3.00 2.90 0.00 0.00 7.13 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.41 4.55 0.00 4.00 3.96 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 20 R 7.95 4.40 0.00 1.77 1.84 0.00 3.23 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 21 V 8.12 3.52 1.98 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 0.69 0.00 0.00 0.84 0.00 0.00 22 P 0.00 4.22 0.00 2.04 2.24 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.86 0.00 23 A 8.99 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.30 4.29 0.00 3.59 3.33 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 25 V 6.88 3.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 -0.76 0.00 0.00 26 M 7.67 3.95 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 27 L 7.84 4.05 0.00 1.93 1.77 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.39 4.18 0.00 2.08 2.07 0.00 2.22 0.00 0.00 2.11 0.00 0.00 3.21 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.57 7.81 29 T 7.52 4.43 4.21 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 0.00 0.00 0.00 1.23 0.00 0.00 30 D 8.35 4.32 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.91 3.75 0.00 2.14 1.97 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 2.21 2.25 0.00 *35 R 8.29 3.84 0.00 1.72 1.64 0.00 3.19 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 36 N 8.40 4.65 0.00 2.59 2.68 0.00 0.00 7.21 7.89 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 37 H 8.55 4.56 0.00 3.16 3.32 0.00 5.90 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.08 4.58 0.00 1.85 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.38 7.81 39 R 7.99 4.00 0.00 1.80 1.89 0.00 3.19 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 40 R 8.41 4.49 0.00 1.73 1.80 0.00 3.26 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 41 H 8.63 4.76 0.00 3.18 3.05 0.00 5.93 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.64 4.18 0.00 3.49 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 43 R 6.25 3.79 0.00 0.67 1.24 0.00 2.21 0.00 0.00 2.78 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.13 0.00 44 R 7.73 3.93 0.00 1.78 1.92 0.00 3.31 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 45 N 8.02 4.98 0.00 2.91 2.74 0.00 0.00 6.69 8.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.19 4.72 0.00 2.57 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.40 4.29 4.26 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 1.24 0.00 0.00 48 D 8.21 4.63 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.66 4.19 0.00 2.07 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 0.00 2.17 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.