NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2759 8.2649 123.5820 51.6873 20.4594 176.3622 2 V 4.3000 7.1545 105.4104 56.8654 34.8840 173.2475 3 Q 3.7271 8.4783 117.4893 57.0209 29.0965 176.8969 4 Q 4.3508 8.5907 122.2495 55.9295 29.6030 174.4308 5 N 4.7796 7.5258 113.5847 52.5354 41.8724 173.5617 6 K 3.8977 8.6558 126.7266 55.8905 32.4637 174.7299 7 P 4.4403 0.0000 0.0000 63.0513 31.9564 174.4749 8 T 4.6589 8.0015 109.3133 60.7077 70.9745 174.2015 9 R 4.4203 8.2793 115.5604 57.4451 30.4748 177.6495 10 S 4.1851 7.8937 113.7791 60.6027 62.5816 175.6816 11 K 3.9309 8.3755 122.9834 59.1450 31.7458 178.4304 12 R 3.9504 8.1268 117.7579 59.6942 30.0536 177.9736 13 G 3.8002 7.7657 104.8469 48.0863 0.0000 175.1884 14 M 4.0359 7.9239 121.3690 58.3317 31.8845 178.8922 15 R 4.0437 8.4446 116.6973 58.4258 30.2213 177.5698 16 R 5.2890 8.3403 118.3586 55.7822 30.8124 178.1523 17 S 4.4490 7.6755 114.2303 61.9628 62.6654 176.3184 18 H 4.4344 8.1829 114.4924 56.5538 28.6478 175.5361 19 D 4.5416 9.2738 120.5085 54.3297 40.9004 176.1665 20 A 4.3780 7.4649 122.5462 52.5246 19.1549 176.5305 21 L 4.9965 7.9657 118.7745 53.6550 44.0917 175.2981 22 T 4.5778 8.2243 113.0631 61.2929 70.7036 173.0536 23 A 4.7272 8.1444 126.1299 50.0979 21.5305 176.7645 24 V 3.6934 8.2189 118.2021 64.0836 32.2375 175.7053 25 T 3.1375 8.1443 113.5512 64.4405 64.7024 168.5648 26 S 3.7772 7.9213 122.9119 57.9431 63.4160 171.8131 27 L 4.7643 8.2499 123.3003 53.4966 44.4595 174.4940 28 S 4.9573 8.2066 114.7580 57.9159 66.3653 173.3281 29 V 5.0190 8.0800 118.9050 62.2397 32.9098 173.1357 30 D 4.4956 9.1746 125.2294 54.4912 41.5861 176.2742 31 K 4.0499 8.9624 125.6989 59.9174 33.2404 178.1956 32 T 3.6472 8.5332 108.8043 67.3888 67.6950 177.2448 33 S 4.2979 8.2298 126.6259 58.6854 64.9885 173.9117 34 G 4.1867 8.0924 108.0971 46.1086 0.0000 172.3320 35 E 4.6383 8.0742 118.2321 54.6181 32.1917 175.8495 36 K 5.6408 8.7617 121.7390 55.5669 33.7571 175.4225 37 H 5.1328 8.4334 120.1009 52.9594 32.1175 172.6390 38 L 4.2032 8.9406 119.4268 55.1990 42.2066 176.2438 39 R 3.8992 8.2122 122.2796 57.9710 30.2990 175.6823 40 H 4.3231 10.7683 122.1610 56.3970 25.3365 173.8826 41 H 4.6683 7.7902 113.6234 55.5315 31.2761 172.1257 42 I 4.2685 7.7092 118.9910 59.5127 39.4010 175.6568 43 T 4.2770 8.3027 116.6909 60.7028 69.8605 175.2012 44 A 4.1270 8.4769 123.2394 54.2889 18.4950 177.8943 45 D 4.8341 7.7726 114.4372 54.1785 41.6341 177.1130 46 G 3.7893 8.1275 108.0813 45.9060 0.0000 172.9523 47 Y 4.5163 8.1336 116.5825 56.3761 39.7837 174.5263 48 Y 5.2775 8.3548 119.6535 58.0081 41.0963 176.5260 49 R 4.6953 8.1520 115.6099 55.1047 30.6140 175.3032 50 G 3.8254 10.2127 114.0484 46.8953 0.0000 170.9209 51 R 4.4977 7.3726 113.9472 55.4463 34.5394 175.4560 52 K 3.9744 8.1434 119.5203 56.3831 32.6471 174.6980 53 V 4.1711 7.5416 122.6064 61.4237 34.7229 177.9895 54 I 3.0364 8.0479 113.2059 62.2639 38.9465 173.2555 55 A 4.3501 8.1823 122.0423 52.7768 24.5111 176.2897 56 K 4.0869 8.2535 118.7483 56.9758 32.0661 176.6859 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 A 8.26 4.28 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.15 4.30 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00 3 Q 8.48 3.73 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 4 Q 8.59 4.35 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 5 N 7.53 4.78 0.00 2.67 2.62 0.00 0.00 7.01 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.66 3.90 0.00 1.73 1.72 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.53 7.81 7 P 0.00 4.44 0.00 2.08 2.01 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 2.08 0.00 8 T 8.00 4.66 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 1.21 0.00 0.00 9 R 8.28 4.42 0.00 2.04 2.20 0.00 2.95 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 10 S 7.89 4.19 0.00 3.91 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 11 K 8.38 3.93 0.00 1.89 1.78 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.48 7.81 12 R 8.13 3.95 0.00 1.84 2.16 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 13 G 7.77 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 14 M 7.92 4.04 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.57 0.00 15 R 8.44 4.04 0.00 1.75 2.22 0.00 3.24 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 16 R 8.34 5.29 0.00 2.05 1.97 0.00 3.29 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 17 S 7.68 4.45 0.00 4.01 4.18 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 18 H 8.18 4.43 0.00 3.15 3.40 0.00 5.69 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.27 4.54 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.46 4.38 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 5.00 0.00 1.61 1.62 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.22 4.58 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 1.21 0.00 0.00 23 A 8.14 4.73 1.23 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 0.00 0.00 0.00 24 V 8.22 3.69 2.08 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 0.84 0.00 0.00 0.93 0.00 0.00 25 T 8.14 3.14 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 1.21 0.00 0.00 26 S 7.92 3.78 0.00 4.02 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 27 L 8.25 4.76 0.00 1.48 1.79 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.21 4.96 0.00 3.79 3.95 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 0.00 0.00 0.00 0.00 29 V 8.08 5.02 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 0.71 0.00 0.00 0.95 0.00 0.00 30 D 9.17 4.50 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.96 4.05 0.00 1.78 1.87 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.48 7.81 32 T 8.53 3.65 4.39 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 1.35 0.00 0.00 33 S 8.23 4.30 0.00 3.23 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.09 4.19 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 0.00 0.00 0.00 35 E 8.07 4.64 0.00 1.97 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 2.31 2.21 0.00 36 K 8.76 5.64 0.00 1.76 1.82 0.00 1.12 0.00 0.00 2.41 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.28 7.81 37 H 8.43 5.13 0.00 3.34 3.49 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.94 4.20 0.00 0.98 1.49 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.21 3.90 0.00 1.77 1.92 0.00 3.10 0.00 0.00 3.90 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 40 H 10.77 4.32 0.00 3.36 3.66 0.00 5.99 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.79 4.67 0.00 3.05 3.31 0.00 5.54 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.71 4.27 1.48 0.00 0.00 0.42 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 0.69 0.75 0.00 0.00 43 T 8.30 4.28 4.46 0.00 0.00 0.00 0.00 0.00 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 44 A 8.48 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.77 4.83 0.00 3.27 2.95 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 0.00 0.00 0.00 0.00 46 G 8.13 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 0.00 0.00 0.00 47 Y 8.13 4.52 0.00 3.12 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 48 Y 8.35 5.28 0.00 2.75 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 R 8.15 4.70 0.00 1.74 1.55 0.00 2.32 0.00 0.00 2.76 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.44 0.00 50 G 10.21 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.37 4.50 0.00 1.92 1.86 0.00 3.36 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 52 K 8.14 3.97 0.00 1.57 1.57 0.00 1.54 0.00 0.00 1.37 0.00 0.00 2.68 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.62 7.81 53 V 7.54 4.17 2.01 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 0.73 0.00 0.00 0.88 0.00 0.00 54 I 8.05 3.04 1.81 0.00 0.00 0.78 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 0.32 0.85 0.00 0.00 55 A 8.18 4.35 1.21 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 0.00 0.00 56 K 8.25 4.09 0.00 1.73 1.74 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.37 7.81