NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1Q E 4.3432 8.4444 121.4777 56.2376 30.8403 173.8169 1P Y 4.4302 8.3254 118.8253 54.0617 41.3621 172.8478 1O Q 4.4952 7.6177 125.6172 54.0922 31.4462 175.0720 1N T 4.2999 8.4648 115.2677 62.1807 69.7785 174.6871 *1M F 4.2646 10.9406 120.9729 57.0931 39.8901 176.1421 1L F 4.6107 7.6177 116.7067 55.9063 40.6783 174.6098 1K N 4.7939 8.5074 120.6529 51.7520 39.5524 174.0802 1J P 4.8672 0.0000 0.0000 64.9216 31.8612 178.4162 1I R 3.9515 8.2136 118.1719 58.9184 29.9803 177.0868 1H T 4.4570 7.8284 105.2410 62.2828 70.4220 175.2523 1G F 4.1743 8.8931 124.0993 58.6663 39.9394 176.1286 1F G 3.7530 8.2451 109.3138 44.5308 0.0000 172.4102 1E S 4.7329 8.0666 112.6220 57.5001 65.0810 173.5825 1D G 4.0121 9.0320 108.3577 45.9963 0.0000 175.9171 1C E 4.0314 8.9747 120.9201 59.3798 29.7198 178.7896 1B A 4.1045 8.0673 119.4700 54.8241 18.5575 177.3229 1A D 4.6056 7.6516 113.1554 54.3393 41.7877 176.2107 1 C 4.1950 7.4592 113.3828 59.7664 30.2178 174.7434 2 G 3.8890 8.7604 108.5197 45.6370 0.0000 173.1273 3 L 4.6218 7.3000 118.6771 52.7527 43.3354 176.1570 4 R 4.4674 8.9009 123.8478 54.3230 31.1598 175.9419 5 P 4.2386 0.0000 0.0000 65.5490 31.4112 177.1413 6 L 4.2146 7.7554 114.4387 54.6452 42.0864 176.4425 7 F 4.7613 7.7805 115.2908 57.9719 41.8178 176.7313 8 E 4.0308 9.0375 122.2519 60.0800 30.1632 179.8707 9 K 4.1427 8.0941 115.7473 58.3388 32.2932 177.7124 10 K 4.4102 7.8808 116.2215 55.2105 32.5194 175.9444 11 S 3.7988 7.7312 113.6365 59.9085 60.9077 172.3803 12 L 4.8645 8.0469 117.8044 52.9402 44.5949 176.6670 13 E 4.6474 8.6466 122.2134 55.1420 30.3062 176.0513 14 D 4.6901 8.6807 122.3846 52.5162 40.3137 177.5816 14A K 4.1611 8.4797 118.5900 58.6583 32.3420 178.1380 14B T 4.5305 7.4770 107.6815 60.6881 69.8359 175.6425 14C E 3.9265 8.4491 122.2841 59.5533 29.3725 178.9547 14D R 3.8452 7.9378 119.3926 59.0834 30.2137 177.7405 14E E 3.8985 8.0584 119.3023 59.1208 29.3255 178.8944 14F L 3.7564 7.4663 117.2992 57.7781 42.2755 178.7945 14G L 3.5308 7.5827 118.7546 57.7492 41.4722 179.3306 14H E 3.9265 8.5158 119.7259 59.1977 29.4832 178.9764 14I S 4.0845 7.8187 113.8822 61.5823 62.6493 176.1521 14J Y 4.4121 7.4428 119.4753 60.2206 37.6027 177.3362 14K I 4.2772 7.0667 109.8144 61.5009 38.8159 175.4061 14L D 4.5222 8.2489 124.7431 54.2954 40.8658 176.0011 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 1Q E 8.44 4.34 0.00 1.94 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 2.21 2.41 0.00 1P Y 8.33 4.43 0.00 3.02 2.81 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 0.00 0.00 0.00 0.00 1O Q 7.62 4.50 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 1N T 8.46 4.30 4.79 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 1.45 0.00 0.00 *1M F 10.94 4.26 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1L F 7.62 4.61 0.00 2.31 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1K N 8.51 4.79 0.00 2.77 2.78 0.00 0.00 6.87 7.71 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 1J P 0.00 4.87 0.00 2.29 2.19 0.00 4.01 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 1I R 8.21 3.95 0.00 1.84 2.12 0.00 3.25 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 1H T 7.83 4.46 4.32 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 1.26 0.00 0.00 1G F 8.89 4.17 0.00 3.02 3.18 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 0.00 0.00 0.00 0.00 1F G 8.25 3.75 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 0.00 0.00 0.00 1E S 8.07 4.73 0.00 4.00 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 1D G 9.03 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C E 8.97 4.03 0.00 2.37 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 0.00 2.71 2.54 0.00 1B A 8.07 4.10 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 1A D 7.65 4.61 0.00 2.66 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 1 C 7.46 4.19 0.00 3.10 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 2 G 8.76 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 3 L 7.30 4.62 0.00 1.69 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.90 4.47 0.00 2.22 2.05 0.00 3.21 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 5 P 0.00 4.24 0.00 2.02 2.12 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 6 L 7.76 4.21 0.00 1.24 1.12 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.78 4.76 0.00 3.09 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 8 E 9.04 4.03 0.00 2.13 2.06 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 2.45 2.47 0.00 9 K 8.09 4.14 0.00 1.95 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.59 7.81 10 K 7.88 4.41 0.00 1.65 1.75 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.47 7.81 11 S 7.73 3.80 0.00 4.02 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 12 L 8.05 4.86 0.00 1.62 1.61 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.65 4.65 0.00 1.99 1.88 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 2.46 2.31 0.00 14 D 8.68 4.69 0.00 2.47 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A K 8.48 4.16 0.00 1.76 1.91 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.46 7.81 14B T 7.48 4.53 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 1.18 0.00 0.00 14C E 8.45 3.93 0.00 2.15 2.37 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 2.49 2.27 0.00 14D R 7.94 3.85 0.00 2.03 1.93 0.00 3.17 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 14E E 8.06 3.90 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 14F L 7.47 3.76 0.00 1.65 1.50 0.87 0.90 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 14G L 7.58 3.53 0.00 1.59 1.65 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.52 3.93 0.00 2.08 2.04 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 2.42 2.29 0.00 14I S 7.82 4.08 0.00 4.11 4.16 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 14J Y 7.44 4.41 0.00 3.12 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 14K I 7.07 4.28 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.70 0.98 0.00 0.00 14L D 8.25 4.52 0.00 2.67 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 * Residues marked with a * may have inaccurate shift predictions.