NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9326 8.3549 109.7358 45.2881 0.0000 172.7773 2 K 4.3584 8.3559 118.1601 52.3545 34.4758 174.4721 3 K 4.4839 8.3668 123.7730 55.2635 35.4301 176.8068 4 S 4.5231 8.2158 117.1373 57.2214 65.8177 175.2325 5 K 3.8912 8.4363 121.4672 59.4898 31.8772 178.3140 6 A 3.9569 7.9241 120.4995 55.5970 18.3529 179.4062 7 T 3.8191 7.8160 114.1880 66.7716 68.4158 176.6441 8 K 3.9390 8.0832 121.4008 59.4595 32.1559 179.0379 9 K 3.9819 7.9679 118.7514 59.4571 31.9427 179.6241 10 R 3.9237 8.0534 118.3768 59.2467 30.0134 179.1141 11 L 3.9913 8.3527 118.9976 57.6214 41.5797 179.4042 12 A 3.9798 8.3037 121.0522 54.9778 18.2923 179.5747 13 K 3.8504 8.2189 118.1578 59.7681 32.2011 178.8326 14 L 4.2467 7.9847 120.5644 57.3281 41.2751 179.1811 15 D 4.3314 7.9651 117.0860 57.2983 41.2581 177.5062 16 N 4.4668 8.0120 116.7644 56.7632 38.8198 176.6877 17 Q 4.1390 8.3695 119.6392 58.2777 29.1971 176.8822 18 N 4.6665 7.7118 119.4880 52.9815 37.9009 173.7751 19 S 4.7948 7.0978 113.0055 55.9564 66.6955 173.6912 20 R 4.0888 8.1749 120.7175 55.4829 30.5541 176.1091 21 V 3.5888 8.0516 122.9772 61.6623 32.2736 174.1775 22 P 4.1635 0.0000 0.0000 62.9635 31.6861 176.8613 23 A 3.9690 8.7376 122.6494 55.2349 18.2936 180.1659 24 W 4.3045 8.1520 114.4776 59.5931 28.1272 178.5169 25 V 3.3685 6.8874 118.7727 65.6044 30.7206 177.9658 26 M 4.0137 7.7470 118.8223 58.2428 31.8245 178.7014 27 L 3.9981 7.8337 118.6100 57.6299 41.7315 179.1860 28 K 4.0311 8.0565 118.5600 59.5537 32.2924 178.0344 29 T 4.2432 7.8646 106.4402 60.6986 70.0902 174.0645 30 D 4.2099 8.7084 120.7206 55.7179 38.9353 170.7375 31 R 3.5067 8.2159 123.8551 55.6041 31.2517 177.1961 *35 R 3.7827 8.3326 121.5196 56.0010 30.0497 173.7441 36 N 4.4386 8.1191 123.4550 52.6841 38.1302 175.2499 37 H 4.4974 8.4734 122.6151 57.3069 28.8642 176.4426 38 K 4.5326 8.2671 118.2267 55.7854 32.5417 176.3886 39 R 3.9590 7.8097 119.0623 56.5797 30.2951 176.1358 40 R 4.6799 8.4474 122.0760 54.5075 33.1555 173.7641 41 H 4.9718 8.3429 122.3425 53.5267 32.3308 174.6638 42 W 4.2306 8.6606 123.5018 59.6104 28.1069 177.4294 43 R 3.8337 6.1477 117.6048 58.6382 29.7339 177.5278 44 R 3.8951 7.8040 115.0017 58.3232 30.1858 176.0309 45 N 4.9881 8.0663 114.1260 51.2562 41.2715 173.0892 46 D 4.6574 8.1861 117.4705 53.0480 43.8504 175.3163 47 T 4.3393 8.3658 116.8298 60.8320 70.7422 173.4435 48 D 4.6360 8.2652 120.7967 54.5162 42.1795 176.7013 49 E 4.1492 8.6675 118.9697 56.8782 28.8922 174.8951 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 3.93 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 0.00 0.00 0.00 2 K 8.36 4.36 0.00 1.79 1.70 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 1.32 1.43 7.81 3 K 8.37 4.48 0.00 1.85 1.79 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.40 7.81 4 S 8.22 4.52 0.00 4.07 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 8.44 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 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.92 3.96 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 7.82 3.82 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 8.08 3.94 0.00 2.04 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.97 3.98 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.70 7.81 10 R 8.05 3.92 0.00 2.04 1.98 0.00 3.36 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 1.65 1.67 0.00 11 L 8.35 3.99 0.00 1.80 1.72 0.92 0.72 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 12 A 8.30 3.98 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 8.22 3.85 0.00 1.84 1.98 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 7.98 4.25 0.00 1.93 1.73 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.97 4.33 0.00 2.68 2.89 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 16 N 8.01 4.47 0.00 2.78 2.99 0.00 0.00 7.29 7.24 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 17 Q 8.37 4.14 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 18 N 7.71 4.67 0.00 2.86 2.97 0.00 0.00 6.99 7.50 0.00 0.00 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 7.10 4.79 0.00 3.96 3.79 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 0.00 0.00 0.00 0.00 20 R 8.17 4.09 0.00 1.78 1.84 0.00 3.22 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 21 V 8.05 3.59 1.96 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 0.68 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.16 0.00 1.52 2.08 0.00 3.52 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.67 0.00 23 A 8.74 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.30 0.00 3.58 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 6.89 3.37 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 0.77 0.00 0.00 -0.51 0.00 0.00 26 M 7.75 4.01 0.00 2.06 2.20 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 2.79 0.00 27 L 7.83 4.00 0.00 1.90 1.77 0.99 0.74 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 28 K 8.06 4.03 0.00 2.11 1.96 0.00 2.13 0.00 0.00 2.00 0.00 0.00 3.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.57 7.81 29 T 7.86 4.24 4.23 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 1.24 0.00 0.00 30 D 8.71 4.21 0.00 2.81 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 31 R 8.22 3.51 0.00 1.92 1.94 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 *35 R 8.33 3.78 0.00 1.74 1.81 0.00 3.23 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 36 N 8.12 4.44 0.00 2.70 2.67 0.00 0.00 7.11 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 8.47 4.50 0.00 3.16 3.32 0.00 5.90 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.27 4.53 0.00 1.85 1.79 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 39 R 7.81 3.96 0.00 1.83 1.89 0.00 3.08 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 40 R 8.45 4.68 0.00 1.73 1.78 0.00 3.21 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.34 4.97 0.00 3.12 2.97 0.00 5.93 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.66 4.23 0.00 3.52 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 43 R 6.15 3.83 0.00 0.67 1.23 0.00 2.61 0.00 0.00 2.93 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.34 0.00 44 R 7.80 3.90 0.00 1.73 1.91 0.00 3.32 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 45 N 8.07 4.99 0.00 2.82 2.75 0.00 0.00 6.71 7.95 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 46 D 8.19 4.66 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 8.37 4.34 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 8.27 4.64 0.00 2.69 2.64 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 0.00 0.00 0.00 0.00 49 E 8.67 4.15 0.00 2.12 2.12 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 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.