NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3691 8.3444 119.6430 55.3899 30.0186 174.3931 2 V 3.7456 8.5762 124.5681 63.5581 32.0760 173.8199 3 Q 4.5708 10.2063 127.3055 54.3708 33.6455 173.3904 4 L 5.1394 8.6819 123.1087 53.0632 44.4431 176.0642 5 V 4.4588 9.1405 125.3620 60.9533 33.9924 174.6835 6 E 5.0080 8.6861 125.9961 55.7239 32.4130 174.6060 7 S 4.4720 9.2597 114.1302 58.4041 66.5131 175.9386 8 G 3.9551 9.3017 107.9652 45.1775 0.0000 173.7865 9 G 3.7733 7.5660 108.1539 44.7142 0.0000 173.4979 10 G 3.8509 7.8251 105.1171 44.2433 0.0000 172.0306 11 L 4.3515 7.8751 122.1097 54.4954 42.9186 177.0029 12 V 4.5225 7.7456 122.6711 60.1142 34.4049 174.2880 13 Q 4.1368 8.4824 121.1959 54.9700 29.3313 174.0926 14 P 4.4185 0.0000 0.0000 64.2134 31.6469 176.8747 15 G 3.9429 9.1530 111.8349 45.1154 0.0000 173.4422 16 G 3.9773 7.4324 108.1380 44.4316 0.0000 172.8064 17 S 4.7575 7.8923 113.7948 56.8043 66.1358 173.7161 18 L 4.1387 7.9556 120.3267 54.4976 44.4795 173.7459 19 R 4.3984 8.5765 126.6660 54.6973 31.4744 175.0483 20 L 4.9990 8.0098 124.7639 53.3924 43.9713 175.7643 21 S 5.0392 8.9401 114.8485 56.9494 67.0209 172.1521 22 C 5.3472 8.8930 120.2480 55.0001 42.8474 172.7521 23 A 4.6752 9.9788 129.9697 51.1512 19.8571 176.0995 24 T 5.8070 8.0539 112.1332 59.4186 72.2080 173.6143 25 S 4.2967 8.6598 112.6541 58.9689 65.4507 176.6142 26 G 4.4302 9.7376 111.6432 44.9073 0.0000 172.6380 27 F 4.5680 7.1339 112.1594 56.2899 39.7724 174.3427 28 T 4.1094 8.1811 118.0912 62.6827 66.7092 174.9867 29 F 3.7783 8.6011 130.0196 61.4112 39.4497 177.1448 30 T 4.1016 7.9461 107.8451 62.7924 68.9880 175.3097 31 D 4.4688 8.3175 121.8393 55.7511 41.3997 175.6802 32 Y 4.8967 7.5310 115.0086 56.2511 40.7323 174.9905 33 Y 4.5701 8.7426 118.6652 57.7792 39.5610 174.8790 34 M 4.7046 8.9185 122.8098 53.8333 34.4343 175.1904 35 S 5.4391 8.7364 119.4529 56.7026 65.9740 173.4791 36 W 4.8237 8.7632 122.1247 54.9502 32.0542 174.9149 37 V 4.9692 8.6758 123.7585 61.3006 34.1231 174.3210 38 R 4.8137 8.5440 123.8972 54.7553 32.9356 175.2178 39 Q 4.6468 8.3422 120.9132 54.3113 31.1726 172.5756 40 P 4.3536 0.0000 0.0000 61.4993 32.1098 174.1874 41 P 4.2555 0.0000 0.0000 64.7218 31.2208 176.9951 42 G 3.9200 9.0569 111.6193 45.2894 0.0000 172.1595 43 K 4.5390 7.7946 118.7471 54.0983 34.7572 175.4219 44 A 4.3697 8.1685 122.3884 51.8096 19.1482 177.1473 45 L 4.4356 8.1670 119.3859 54.8767 42.7359 177.0402 46 E 4.5975 9.0478 122.7616 53.8320 32.4569 174.5117 47 W 4.2421 9.1438 135.0000 58.2753 30.7265 175.1629 48 L 4.1679 8.6403 126.9249 54.2439 42.8819 177.1738 49 G 2.6009 5.3800 106.9940 44.6772 0.0000 169.8759 50 F 5.4431 7.3307 113.9036 55.7497 41.6119 173.2533 51 I 4.8220 8.8746 118.2941 59.1207 40.5266 175.1732 52 R 2.5100 8.6785 128.2416 55.8908 30.9119 175.9214 *521 N 4.5575 8.2156 116.8510 52.6889 38.5142 173.6939 522 K 3.9466 8.6746 118.4438 59.7551 32.4158 177.2863 523 A 4.1705 7.9481 124.4987 52.5252 18.2257 176.8551 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 Q 8.34 4.37 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 2 V 8.58 3.75 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 0.48 0.00 0.00 0.76 0.00 0.00 3 Q 10.21 4.57 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 4 L 8.68 5.14 0.00 1.44 1.53 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.14 4.46 2.09 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 1.02 0.00 0.00 0.94 0.00 0.00 6 E 8.69 5.01 0.00 2.37 2.03 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 0.00 2.30 2.42 0.00 7 S 9.26 4.47 0.00 3.87 4.03 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 0.00 0.00 0.00 0.00 8 G 9.30 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 0.00 0.00 0.00 9 G 7.57 3.77 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 0.00 0.00 0.00 10 G 7.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.88 4.35 0.00 1.59 1.56 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.75 4.52 2.06 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 0.72 0.00 0.00 0.91 0.00 0.00 13 Q 8.48 4.14 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.12 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 14 P 0.00 4.42 0.00 2.03 1.99 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 15 G 9.15 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.43 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 0.00 0.00 0.00 17 S 7.89 4.76 0.00 3.79 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 18 L 7.96 4.14 0.00 1.48 1.43 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.58 4.40 0.00 1.75 1.77 0.00 3.28 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 20 L 8.01 5.00 0.00 0.98 1.47 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.94 5.04 0.00 3.93 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 22 C 8.89 5.35 0.00 2.83 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 23 A 9.98 4.68 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.05 5.81 4.54 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 1.43 0.00 0.00 25 S 8.66 4.30 0.00 3.83 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.74 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.13 4.57 0.00 3.10 2.88 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 28 T 8.18 4.11 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 29 F 8.60 3.78 0.00 2.68 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 30 T 7.95 4.10 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 31 D 8.32 4.47 0.00 2.96 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.53 4.90 0.00 2.88 2.93 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 33 Y 8.74 4.57 0.00 2.51 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 8.92 4.70 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 35 S 8.74 5.44 0.00 3.86 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 36 W 8.76 4.82 0.00 3.15 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.68 4.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.08 0.00 0.00 38 R 8.54 4.81 0.00 1.89 2.02 0.00 2.80 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 39 Q 8.34 4.65 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.55 0.00 40 P 0.00 4.35 0.00 2.23 1.96 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 41 P 0.00 4.26 0.00 2.04 2.05 0.00 3.72 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 2.04 2.11 0.00 42 G 9.06 3.92 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 0.00 0.00 0.00 43 K 7.79 4.54 0.00 1.74 1.78 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.36 7.81 44 A 8.17 4.37 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.17 4.44 0.00 1.61 1.69 0.97 0.83 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 46 E 9.05 4.60 0.00 2.06 1.82 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 2.24 2.30 0.00 47 W 9.14 4.24 0.00 3.38 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 48 L 8.64 4.17 0.00 1.50 1.47 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 G 5.38 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.33 5.44 0.00 3.19 3.40 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 51 I 8.87 4.82 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.51 1.04 0.00 0.00 52 R 8.68 2.51 0.00 1.43 1.03 0.00 3.31 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.75 0.00 *521 N 8.22 4.56 0.00 3.02 3.04 0.00 0.00 6.01 7.13 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 0.00 522 K 8.67 3.95 0.00 1.79 1.87 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.38 7.81 523 A 7.95 4.17 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.