NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7764 8.3249 122.8245 57.4209 40.5903 174.4748 2 V 3.3131 6.7709 117.5915 60.7879 31.6808 174.9101 3 N 4.8204 7.8247 122.1570 51.1997 40.0462 172.6318 4 Q 4.3191 7.6722 118.4508 54.7701 30.8794 174.2153 5 H 4.1618 8.4958 116.8642 56.2996 28.5436 175.0846 6 L 4.4514 8.3863 125.4677 54.0910 42.4979 176.5503 7 C 4.7909 8.4827 118.9868 59.8663 30.0513 175.6575 *9 S 4.2898 8.0067 117.9015 58.9522 64.6188 175.9665 10 H 4.1503 8.0565 117.3572 58.5203 28.3529 177.4504 11 L 3.8959 7.7556 121.7071 58.1436 41.8626 179.0752 12 V 3.1897 7.4211 117.4084 65.9989 31.6968 177.3857 13 E 3.8968 8.0648 118.7507 59.1223 29.3223 178.7741 14 A 3.9866 8.1031 120.9393 55.1172 18.5058 179.4478 15 L 3.6797 7.7377 117.5841 57.9407 41.4995 179.0787 16 Y 4.2938 7.8656 119.4876 60.7880 38.5085 178.1729 17 L 3.7592 7.6455 119.6236 57.9472 42.2796 178.8472 18 V 3.6610 7.4725 117.1073 66.4112 31.9181 177.6665 19 C 4.2806 8.2599 116.5480 58.8550 27.7833 178.5329 20 G 3.6628 8.5192 106.9368 46.3479 0.0000 174.7653 21 E 3.8554 9.4166 119.9718 59.1235 30.4299 176.9317 22 R 3.9008 7.9077 117.1691 58.1632 30.1995 177.1368 23 G 3.8874 9.0953 102.0497 45.1071 0.0000 171.2175 24 F 4.7596 7.3004 112.2850 56.0636 40.1448 172.8802 25 F 4.9874 7.9991 115.0237 55.0030 40.1948 173.6397 26 Y 4.7854 8.9918 124.3946 56.0701 40.3190 175.2045 27 T 4.2419 7.9822 117.4268 59.1615 69.7045 172.0226 28 P 4.3698 0.0000 0.0000 62.5492 29.3623 176.3533 29 K 4.0852 8.0051 124.6889 57.6633 33.1292 177.2517 30 T 3.6230 7.8562 119.9603 63.7305 67.7817 171.4330 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 F 8.32 4.78 0.00 2.91 3.06 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 2 V 6.77 3.31 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.21 0.00 0.00 3 N 7.82 4.82 0.00 2.62 2.66 0.00 0.00 6.90 7.08 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 4 Q 7.67 4.32 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.82 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 5 H 8.50 4.16 0.00 3.18 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.39 4.45 0.00 1.65 1.61 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.48 4.79 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *9 S 8.01 4.29 0.00 3.68 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.06 4.15 0.00 3.33 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.76 3.90 0.00 1.91 1.63 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.42 3.19 1.86 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 1.01 0.00 0.00 0.28 0.00 0.00 13 E 8.06 3.90 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 14 A 8.10 3.99 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 15 L 7.74 3.68 0.00 0.72 0.55 0.67 0.41 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 16 Y 7.87 4.29 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.65 3.76 0.00 1.90 1.70 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.47 3.66 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 0.80 0.00 0.00 0.99 0.00 0.00 19 C 8.26 4.28 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.52 3.66 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 0.00 0.00 0.00 21 E 9.42 3.86 0.00 1.90 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 2.29 2.39 0.00 22 R 7.91 3.90 0.00 1.99 2.02 0.00 3.21 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 23 G 9.10 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 0.00 0.00 0.00 24 F 7.30 4.76 0.00 2.93 2.98 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 25 F 8.00 4.99 0.00 3.15 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 4.79 0.00 3.22 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 27 T 7.98 4.24 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 1.24 0.00 0.00 28 P 0.00 4.37 0.00 2.15 1.92 0.00 3.50 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 29 K 8.01 4.09 0.00 1.75 1.88 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.59 7.81 30 T 7.86 3.62 4.24 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.