NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8820 8.3549 109.7359 45.2887 0.0000 173.0673 2 K 4.2572 8.2239 117.5440 52.4680 34.3259 174.7154 3 K 4.3692 8.3404 124.1980 55.6034 35.1154 177.2123 4 S 4.5006 8.2436 116.9781 57.3395 65.6672 175.2621 5 K 3.9030 8.4405 121.5336 59.4906 31.8877 178.3913 6 A 3.9520 7.8993 120.4954 55.5494 18.3852 179.3167 7 T 3.8153 8.0179 114.3811 66.9036 68.4842 176.5891 8 K 3.9505 8.1126 121.2541 59.4286 32.1650 179.0408 9 K 3.9878 8.0312 118.8519 59.4413 31.9743 179.6235 10 R 3.9334 8.1566 118.3794 59.1684 29.9909 179.0004 11 L 3.9805 8.3253 118.9829 57.7444 41.6400 179.3715 12 A 3.9721 8.1663 120.7028 55.0477 18.2666 179.5069 13 K 3.8511 8.1632 118.0163 59.8129 32.0759 178.8713 14 L 4.2471 7.7436 119.1290 57.3032 41.6448 178.7893 15 D 4.4664 8.0908 118.0334 57.2355 40.9363 177.8360 16 N 4.3174 7.9372 116.7213 56.8396 38.8183 176.7596 17 Q 4.1838 8.3528 119.2431 58.3601 28.4015 177.5330 18 N 4.7501 7.5121 116.1523 53.1936 38.9277 174.5355 19 S 4.5945 7.1996 113.5705 56.3054 64.8653 173.6515 20 R 4.0677 8.0440 120.6643 55.5291 30.4922 175.8733 21 V 3.6341 8.0613 122.6206 61.4560 32.0195 174.0296 22 P 4.0707 0.0000 0.0000 62.9725 31.5860 176.7531 23 A 3.9555 8.7949 124.0315 55.1965 18.6711 179.8387 24 W 4.3071 8.1898 113.1169 59.7790 27.9345 178.4980 25 V 3.2625 6.6392 118.4862 65.6284 30.6273 177.9729 26 M 3.9716 7.8719 118.6513 58.2804 31.8041 178.4424 27 L 3.9752 7.8959 118.3841 57.7486 41.7023 179.0519 28 K 3.9252 8.0533 118.3287 59.9837 32.2832 178.1550 29 T 4.1502 7.9973 106.0594 61.2118 70.2779 173.8440 30 D 4.2875 8.9223 121.4581 56.0700 38.8487 171.0891 31 R 3.4846 8.1440 121.2991 55.8620 31.1923 177.0117 *35 R 3.9108 8.3323 119.4246 56.1465 31.3586 175.2939 36 N 4.5562 8.1812 121.4626 51.8633 37.8075 174.7067 37 H 4.3243 8.2672 121.5944 57.5852 29.0838 176.4623 38 K 4.5392 7.7127 117.4753 55.8546 32.2161 176.3671 39 R 3.9848 7.9387 119.4170 56.4268 30.1843 176.2774 40 R 4.6933 8.4483 122.4075 54.4909 33.2667 173.8029 41 H 5.0182 8.3033 121.8666 53.5396 32.4431 174.6867 42 W 4.2134 8.6221 123.3102 59.5297 28.1562 177.4113 43 R 3.7534 5.8870 117.6822 58.5357 29.6619 177.6754 44 R 3.8900 7.7298 114.9730 58.1836 30.2100 175.8932 45 N 5.0065 7.7679 114.0003 51.1758 41.3659 173.0385 46 D 4.6443 8.2204 117.4793 53.0705 43.8031 175.1149 47 T 4.3812 8.3333 116.6717 60.3591 70.6049 173.6599 48 D 4.5615 8.1719 121.4384 54.7348 41.8079 176.7724 49 E 4.1420 8.6611 118.8283 56.9095 28.9101 174.8948 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 3.88 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 0.00 0.00 0.00 2 K 8.22 4.26 0.00 1.77 1.71 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 K 8.34 4.37 0.00 1.85 1.79 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.41 7.81 4 S 8.24 4.50 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 3.90 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 7.90 3.95 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 8.02 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 8.11 3.95 0.00 2.00 2.04 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 8.03 3.99 0.00 2.01 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 1.73 7.81 10 R 8.16 3.93 0.00 2.02 1.98 0.00 3.40 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 11 L 8.33 3.98 0.00 1.82 1.72 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.17 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 3.85 0.00 1.85 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 7.74 4.25 0.00 1.86 1.75 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.09 4.47 0.00 2.82 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 7.94 4.32 0.00 2.78 3.01 0.00 0.00 7.29 6.81 0.00 0.00 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 8.35 4.18 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 18 N 7.51 4.75 0.00 2.96 2.83 0.00 0.00 7.14 8.18 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 19 S 7.20 4.59 0.00 4.05 3.86 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 0.00 0.00 0.00 0.00 20 R 8.04 4.07 0.00 1.76 1.84 0.00 3.25 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 1.57 1.62 0.00 21 V 8.06 3.63 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 0.67 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.07 0.00 1.38 2.09 0.00 3.53 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.72 0.00 23 A 8.79 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.31 0.00 3.60 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 6.64 3.26 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 0.84 0.00 0.00 -0.48 0.00 0.00 26 M 7.87 3.97 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.85 0.00 27 L 7.90 3.98 0.00 1.78 1.77 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.05 3.93 0.00 2.04 2.01 0.00 2.07 0.00 0.00 2.07 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.58 7.81 29 T 8.00 4.15 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 8.92 4.29 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.48 0.00 1.92 1.91 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 *35 R 8.33 3.91 0.00 1.71 1.84 0.00 3.24 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 36 N 8.18 4.56 0.00 2.65 2.67 0.00 0.00 7.21 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 8.27 4.32 0.00 3.17 3.34 0.00 5.74 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.71 4.54 0.00 1.73 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 7.94 3.98 0.00 1.81 1.89 0.00 3.08 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 40 R 8.45 4.69 0.00 1.74 1.79 0.00 3.20 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 41 H 8.30 5.02 0.00 3.11 2.96 0.00 5.93 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.62 4.21 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 5.89 3.75 0.00 0.67 1.18 0.00 2.45 0.00 0.00 2.87 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.28 0.00 44 R 7.73 3.89 0.00 1.77 1.91 0.00 3.29 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 45 N 7.77 5.01 0.00 2.91 2.74 0.00 0.00 6.67 7.43 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 46 D 8.22 4.64 0.00 2.56 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 8.33 4.38 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 8.17 4.56 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 49 E 8.66 4.14 0.00 2.13 2.10 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 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.