NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3574 0.0000 0.0000 61.9827 32.5137 176.1740 3 Q 4.4862 8.1785 117.4088 52.3199 30.1274 174.7071 4 L 4.1557 8.4693 122.2380 55.8910 43.5933 178.2653 5 N 4.3460 8.9075 125.8033 55.8443 37.7930 172.0168 6 S 4.6540 7.4266 108.8194 57.7946 67.5481 179.6354 7 G 4.1292 8.8873 106.9388 49.2417 0.0000 175.4090 8 G 3.7639 8.4090 114.3181 45.1508 0.0000 171.2510 9 G 3.9957 7.5398 105.5305 45.7110 0.0000 169.9837 10 D 4.4520 7.7251 117.4204 52.6877 41.1130 175.3881 11 E 3.9391 8.9041 118.2062 58.9036 29.7549 178.2694 12 L 4.3415 8.2080 117.4581 54.5202 42.1523 175.1976 13 G 3.6701 8.0871 105.6849 43.5788 0.0000 173.1018 14 A 4.5930 8.1448 119.9813 51.9552 18.7892 177.2901 15 N 4.6143 9.0709 118.3716 52.8367 39.8170 175.0938 16 D 4.5867 8.6562 122.8320 54.7808 42.0838 175.6827 17 E 4.6995 8.3969 118.8490 54.8944 33.7327 174.7452 18 L 4.5711 8.3250 122.1652 54.0979 42.7799 176.4563 19 I 3.9951 7.9567 123.1973 59.4423 37.8548 176.2965 20 R 4.0338 8.1512 125.5731 55.8016 28.8586 175.6226 21 F 4.7493 8.4340 124.1138 56.8567 40.8438 178.3710 22 K 4.5781 8.3540 126.0990 53.3598 32.7207 174.3823 23 D 4.7505 7.8550 120.8152 53.0911 41.7075 175.2400 24 E 3.8718 9.1731 128.1961 59.3715 30.1417 178.7346 25 G 3.3418 8.6130 101.5626 46.9013 0.0000 169.8853 26 E 3.5807 8.8775 135.0000 55.8233 28.6993 173.7200 27 Q 4.4839 8.4060 124.6904 53.9885 30.7417 176.0062 28 E 4.3370 8.5951 127.3116 57.2215 27.2877 177.8176 29 E 4.2180 7.6877 125.6648 54.7961 28.6456 177.8665 *40 D 4.4017 7.4529 117.3823 53.4919 40.1368 176.4991 41 L 4.4581 7.8235 124.2826 55.0561 42.4650 177.0842 42 A 3.9654 7.8783 122.2014 55.7102 18.2245 179.5486 43 D 4.4040 7.9828 117.8356 56.8475 40.9336 179.0605 44 V 3.5805 7.6375 118.4134 65.7660 31.5829 178.1644 45 K 3.9599 8.6500 118.7739 59.5544 32.0838 179.5509 46 S 4.1386 8.1452 114.5541 61.5113 62.6319 176.3648 47 S 4.1704 8.1458 116.2002 60.9615 62.1928 175.6195 48 L 4.0914 7.7457 122.0876 58.2530 41.8579 179.0293 49 V 3.9088 8.0648 114.1758 63.6240 32.5072 176.9488 50 N 5.0017 8.1195 123.7302 52.7656 34.6260 180.3287 51 E 5.0486 7.5345 116.4770 56.8525 33.8934 178.8316 52 S 4.3020 8.0663 121.2523 59.7503 63.6181 179.0474 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 2 P 0.00 4.36 0.00 2.11 1.91 0.00 3.70 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 1.84 1.59 0.00 3 Q 8.18 4.49 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.20 1.98 0.00 4 L 8.47 4.16 0.00 1.71 1.57 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.91 4.35 0.00 2.78 2.73 0.00 0.00 6.52 7.64 0.00 0.00 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 S 7.43 4.65 0.00 3.64 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.89 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 0.00 0.00 0.00 8 G 8.41 3.76 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 0.00 0.00 0.00 9 G 7.54 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 4.45 0.00 2.83 2.75 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 11 E 8.90 3.94 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 12 L 8.21 4.34 0.00 1.77 1.67 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.09 3.67 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 0.00 0.00 0.00 14 A 8.14 4.59 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 15 N 9.07 4.61 0.00 2.85 2.74 0.00 0.00 7.19 7.66 0.00 0.00 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 D 8.66 4.59 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 4.70 0.00 1.95 1.75 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 2.28 2.50 0.00 18 L 8.32 4.57 0.00 1.61 1.57 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.96 4.00 1.55 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.49 -0.06 0.00 0.00 20 R 8.15 4.03 0.00 1.70 1.87 0.00 3.29 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 21 F 8.43 4.75 0.00 3.05 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 22 K 8.35 4.58 0.00 1.72 1.57 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 0.99 7.81 23 D 7.86 4.75 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.17 3.87 0.00 1.98 1.95 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 2.27 2.31 0.00 25 G 8.61 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 0.00 0.00 0.00 26 E 8.88 3.58 0.00 2.12 2.02 0.00 0.00 0.00 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 2.34 0.00 27 Q 8.41 4.48 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.52 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 28 E 8.60 4.34 0.00 2.00 1.92 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 2.31 2.33 0.00 29 E 7.69 4.22 0.00 1.95 1.92 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 2.28 2.40 0.00 *40 D 7.45 4.40 0.00 2.79 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 41 L 7.82 4.46 0.00 1.70 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.88 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 43 D 7.98 4.40 0.00 2.77 2.73 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 44 V 7.64 3.58 2.25 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 1.07 0.00 0.00 0.93 0.00 0.00 45 K 8.65 3.96 0.00 1.95 1.83 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 46 S 8.15 4.14 0.00 4.05 4.12 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 47 S 8.15 4.17 0.00 3.89 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.09 0.00 1.83 1.87 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.06 3.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.01 0.00 0.00 50 N 8.12 5.00 0.00 2.82 2.65 0.00 0.00 6.73 7.17 0.00 0.00 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 E 7.53 5.05 0.00 1.91 1.77 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 2.03 1.76 0.00 52 S 8.07 4.30 0.00 3.58 3.58 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 0.00 * Residues marked with a * may have inaccurate shift predictions.