NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.5239 8.0431 114.0217 62.2578 33.1375 174.5278 2 G 3.7990 8.2773 116.0922 44.7079 0.0000 169.6206 3 E 4.5765 7.6123 120.2949 54.9413 34.8612 171.9420 4 C 4.7751 8.8012 118.4909 55.3412 39.1105 173.3389 5 V 3.9162 8.3758 125.5344 63.3176 31.8337 175.6156 6 R 3.5503 10.2526 126.9895 57.4782 28.3081 177.4668 7 G 4.0778 8.2359 106.6609 45.6273 0.0000 174.4008 8 R 4.7674 8.1252 115.3999 54.9716 32.8440 173.0271 9 C 5.0741 8.1790 113.9745 54.6863 45.4378 172.4234 10 P 4.4458 0.0000 0.0000 62.6232 32.1580 176.2735 11 S 3.8556 9.2018 109.1084 58.8679 61.3915 171.9439 12 G 3.8914 8.1998 105.6178 47.5797 0.0000 174.1712 13 M 4.6095 7.8347 118.4040 55.0591 33.2643 173.8510 14 C 5.0646 9.3095 113.8640 54.1063 45.8991 172.1181 15 C 5.2145 8.7557 120.8362 55.3639 44.0150 173.4982 16 S 4.5101 9.0877 122.0356 56.9838 63.6034 175.2734 17 Q 4.1386 8.2298 120.6182 56.3778 27.1561 177.1469 *19 G 4.0496 7.8816 101.1145 46.7941 0.0000 171.8280 20 Y 5.3591 7.9655 117.6187 55.9288 40.6716 173.3846 21 C 5.1360 9.0258 120.0422 54.8956 40.5567 174.1043 22 G 2.8681 7.9344 106.3508 45.8136 0.0000 172.5174 23 K 4.6879 7.9010 120.4485 55.4002 36.5198 176.5899 24 G 3.8967 8.6306 106.6751 43.9451 0.0000 172.4058 25 P 4.5242 0.0000 0.0000 63.7315 31.1262 176.5616 26 K 4.5049 8.0068 116.0077 56.4759 33.5892 175.7318 27 Y 4.5395 7.8256 114.9652 59.6709 40.6695 176.0999 28 C 4.4827 8.7851 116.1435 59.1975 39.3244 174.8140 29 G 3.8723 7.8365 107.2645 45.6322 0.0000 173.6736 30 R 4.1698 8.2871 117.1025 56.1430 30.4001 176.6066 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 V 8.04 3.52 2.05 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 1.02 0.00 0.00 0.85 0.00 0.00 2 G 8.28 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 0.00 0.00 0.00 3 E 7.61 4.58 0.00 1.92 1.70 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 2.28 2.36 0.00 4 C 8.80 4.78 0.00 2.96 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 5 V 8.38 3.92 2.17 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 0.87 0.00 0.00 0.88 0.00 0.00 6 R 10.25 3.55 0.00 1.93 1.95 0.00 3.35 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 7 G 8.24 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.13 4.77 0.00 1.96 2.00 0.00 2.75 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 9 C 8.18 5.07 0.00 2.90 2.92 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 10 P 0.00 4.45 0.00 2.19 2.19 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 2.03 1.92 0.00 11 S 9.20 3.86 0.00 4.13 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 12 G 8.20 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 13 M 7.83 4.61 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.39 0.00 14 C 9.31 5.06 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.76 5.21 0.00 3.06 3.08 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 0.00 0.00 0.00 0.00 16 S 9.09 4.51 0.00 3.71 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.14 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.47 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 *19 G 7.88 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 0.00 0.00 0.00 20 Y 7.97 5.36 0.00 2.97 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.03 5.14 0.00 3.11 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 22 G 7.93 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 0.00 0.00 0.00 23 K 7.90 4.69 0.00 1.60 1.63 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.30 7.81 24 G 8.63 3.90 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 0.00 0.00 0.00 25 P 0.00 4.52 0.00 2.20 2.19 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 26 K 8.01 4.50 0.00 1.52 1.49 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.30 1.33 7.81 27 Y 7.83 4.54 0.00 2.81 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.79 4.48 0.00 3.16 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.84 3.87 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 0.00 0.00 0.00 30 R 8.29 4.17 0.00 1.77 1.80 0.00 3.55 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.