NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8220 8.3549 109.7355 45.2884 0.0000 173.3331 2 K 4.2160 8.3522 120.0632 52.4421 32.6632 174.9102 3 K 4.3042 8.2457 124.0202 55.9954 35.0040 177.1315 4 S 4.6011 8.1205 116.2207 56.9742 66.3234 175.0526 5 K 3.8885 8.3832 120.9311 59.5795 31.8990 178.3481 6 A 3.9714 7.9260 120.5129 55.5540 18.3160 179.4354 7 T 3.8121 7.6522 114.1913 66.7561 68.4611 176.6802 8 K 3.9180 8.0787 121.4145 59.3614 32.1423 178.9596 9 K 3.9487 8.0054 118.7667 59.4812 31.9071 179.4721 10 R 3.9117 7.9875 118.1813 59.3415 30.0013 179.0270 11 L 3.9594 8.2201 118.7400 57.6983 41.6009 179.3444 12 A 3.9723 8.1777 120.7443 55.0854 18.3012 179.4411 13 K 3.8294 8.1576 117.9594 59.8937 32.0804 178.7140 14 L 4.0368 7.9519 117.9282 58.0304 41.9187 178.8850 15 D 4.4665 8.2579 117.9312 57.2627 41.1007 177.8031 16 N 4.3257 8.2431 117.6158 56.8647 38.8166 176.8521 17 Q 4.1695 8.3404 118.2527 58.1892 28.7392 177.2088 18 N 4.7438 7.5822 116.6511 53.1388 39.0475 174.5695 19 S 4.5162 7.4069 114.2235 57.3168 64.6862 173.2369 20 R 4.3252 7.9870 120.3635 54.5159 31.1043 175.6818 21 V 3.6034 8.0702 121.9497 61.7143 31.8744 174.0521 22 P 4.2521 0.0000 0.0000 63.1118 31.6967 176.8302 23 A 3.9818 8.8816 122.5892 55.3156 18.2311 180.1845 24 W 4.2735 8.2798 114.3774 59.4639 28.0837 178.3970 25 V 2.9543 6.7339 118.9210 65.2085 30.7333 177.9121 26 M 4.0023 7.7084 118.9491 58.2542 31.7110 178.5967 27 L 4.0178 7.7784 118.7395 57.6379 41.7609 179.2372 28 K 4.1936 8.2710 118.5729 58.4061 32.1907 177.8491 29 T 4.4541 7.1854 107.5623 60.3048 69.2580 173.4469 30 D 4.3099 8.5430 119.3611 55.3188 39.2631 170.4598 31 E 3.7892 7.9826 122.6827 55.8294 30.1404 174.5994 *35 R 3.8298 8.3012 120.1465 56.0467 31.0420 174.6832 36 N 4.6398 8.2441 121.3759 52.1164 38.8878 174.3999 37 H 4.5871 8.5136 122.0034 56.9582 29.0339 176.3844 38 K 4.5610 8.0317 118.6536 55.9388 32.2587 176.4328 39 R 4.0099 7.4832 118.0209 56.2130 30.2553 176.2966 40 R 4.4952 8.3912 122.2762 54.6252 32.6814 173.7733 41 H 4.7442 8.6033 125.2473 54.4819 31.0514 175.8058 42 W 4.2101 8.4656 123.1423 59.3937 28.3134 177.4197 43 R 3.8186 6.1063 117.7975 58.5723 29.6821 177.6481 44 R 3.9213 7.6949 114.8037 58.1100 30.2722 176.0366 45 N 4.9412 7.8517 114.1748 51.2950 41.0781 173.2426 46 D 4.7149 8.1778 117.5970 52.8790 43.9467 175.1443 47 T 4.3311 8.3558 116.5014 60.6742 70.5691 173.1848 48 D 4.6199 8.1962 121.8151 53.7957 42.5130 176.8117 49 E 4.1613 8.6610 118.4114 57.0194 28.8711 174.9605 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 3.82 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 0.00 0.00 0.00 2 K 8.35 4.22 0.00 1.82 1.76 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 8.25 4.30 0.00 1.86 1.80 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 1.37 1.41 7.81 4 S 8.12 4.60 0.00 4.06 4.06 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 0.00 0.00 0.00 0.00 5 K 8.38 3.89 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 A 7.93 3.97 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 7.65 3.81 4.46 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 0.00 0.00 0.00 1.25 0.00 0.00 8 K 8.08 3.92 0.00 1.93 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 8.01 3.95 0.00 2.04 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.69 7.81 10 R 7.99 3.91 0.00 2.06 1.98 0.00 3.37 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 1.81 0.00 11 L 8.22 3.96 0.00 1.67 1.73 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.18 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.83 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 7.95 4.04 0.00 1.84 1.76 0.94 1.28 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 15 D 8.26 4.47 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 8.24 4.33 0.00 2.85 2.97 0.00 0.00 7.25 6.32 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 17 Q 8.34 4.17 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.08 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 18 N 7.58 4.74 0.00 3.03 2.90 0.00 0.00 7.16 7.03 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 19 S 7.41 4.52 0.00 4.01 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 20 R 7.99 4.33 0.00 1.78 1.85 0.00 3.23 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 21 V 8.07 3.60 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 0.70 0.00 0.00 0.85 0.00 0.00 22 P 0.00 4.25 0.00 2.14 2.33 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.01 0.00 23 A 8.88 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.27 0.00 3.64 3.34 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 25 V 6.73 2.95 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 0.66 0.00 0.00 -0.72 0.00 0.00 26 M 7.71 4.00 0.00 2.04 2.17 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 2.56 2.78 0.00 27 L 7.78 4.02 0.00 1.90 1.76 0.99 0.64 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 8.27 4.19 0.00 2.06 1.89 0.00 2.21 0.00 0.00 2.05 0.00 0.00 3.20 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.56 7.81 29 T 7.19 4.45 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 30 D 8.54 4.31 0.00 2.77 2.76 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 31 E 7.98 3.79 0.00 2.13 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 0.00 2.20 2.25 0.00 *35 R 8.30 3.83 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 8.24 4.64 0.00 2.64 2.65 0.00 0.00 7.23 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 8.51 4.59 0.00 3.16 3.33 0.00 5.91 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.03 4.56 0.00 1.87 1.80 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 7.48 4.01 0.00 1.84 1.88 0.00 3.14 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 1.66 1.67 0.00 40 R 8.39 4.50 0.00 1.73 1.79 0.00 3.26 0.00 0.00 3.17 7.32 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 8.60 4.74 0.00 3.14 3.01 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 8.47 4.21 0.00 3.49 3.12 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 0.00 0.00 0.00 0.00 43 R 6.11 3.82 0.00 0.67 1.20 0.00 2.45 0.00 0.00 2.87 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.28 0.00 44 R 7.69 3.92 0.00 1.75 1.90 0.00 3.32 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 45 N 7.85 4.94 0.00 2.90 2.75 0.00 0.00 6.69 7.65 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 46 D 8.18 4.71 0.00 2.57 2.48 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 0.00 0.00 0.00 0.00 47 T 8.36 4.33 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 1.25 0.00 0.00 48 D 8.20 4.62 0.00 2.70 2.68 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 0.00 0.00 0.00 0.00 49 E 8.66 4.16 0.00 2.10 2.15 0.00 0.00 0.00 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 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.