NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1842 8.2649 123.5672 52.0760 19.9124 175.7757 2 C 4.3244 8.1577 118.8320 58.2612 30.0205 172.2150 3 Y 4.4929 7.8162 118.7991 57.3172 40.7525 173.5169 4 C 4.6850 8.7039 120.8456 59.2347 34.0007 173.2017 5 R 4.4430 9.3351 122.1307 54.9025 29.5977 175.8269 6 I 4.6936 7.9444 118.1741 58.2821 40.7732 172.3211 7 P 4.3862 0.0000 0.0000 62.4710 31.0100 174.8828 8 A 4.5072 7.2934 120.8839 51.1305 22.2877 176.0505 9 C 4.5044 8.5261 106.1866 59.3568 25.8786 173.6842 10 I 3.8600 7.5715 125.0792 64.0815 37.9320 177.1202 11 A 4.2448 7.6937 121.4037 52.8731 18.0715 175.3932 12 G 4.2415 9.2571 107.2398 45.8574 0.0000 173.7575 13 E 4.4716 7.3706 116.1773 53.8552 33.5642 175.3587 14 R 4.3582 7.9868 119.8338 54.1343 32.6563 175.4473 15 R 4.0196 8.2226 123.6883 56.1028 30.8777 175.7647 16 Y 4.1508 8.6842 122.6060 60.4507 38.5348 176.7862 17 G 4.1514 8.1292 106.9992 45.5477 0.0000 172.5774 18 T 4.9775 8.4965 110.1808 59.5950 71.8340 173.0210 19 C 4.4532 9.0917 118.7840 56.7286 30.7891 173.0396 20 I 4.0301 8.2229 126.6543 60.1552 36.0851 174.6666 21 Y 4.3586 8.1297 126.8883 56.8537 40.1955 174.6089 22 Q 3.1684 9.2069 126.5558 56.4676 27.5945 173.2407 23 G 3.8291 8.3617 102.0208 46.2950 0.0000 173.7821 24 R 4.6735 7.8962 117.7232 54.0610 33.7037 175.8176 25 L 5.6218 8.9581 123.8723 53.1507 44.2127 175.6096 26 W 5.0525 9.2603 117.2653 55.0542 29.2675 175.3842 27 A 4.1332 8.4539 127.5459 50.1898 20.0838 176.4310 28 F 3.9139 8.3205 122.2275 58.1361 38.1620 173.8887 29 C 4.9844 8.3567 126.8191 57.6537 34.3713 173.3652 30 C 4.4989 8.6933 122.6587 60.3709 28.4820 173.9108 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 4.18 1.04 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 0.00 0.00 2 C 8.16 4.32 0.00 2.79 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 3 Y 7.82 4.49 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.70 4.69 0.00 3.11 2.99 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 0.00 0.00 0.00 5 R 9.34 4.44 0.00 1.81 1.96 0.00 3.26 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 6 I 7.94 4.69 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.09 0.95 0.00 0.00 7 P 0.00 4.39 0.00 2.06 2.10 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 8 A 7.29 4.51 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 9 C 8.53 4.50 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.57 3.86 1.86 0.00 0.00 0.85 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 0.92 0.88 0.00 0.00 11 A 7.69 4.24 1.24 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 0.00 0.00 0.00 12 G 9.26 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 0.00 0.00 0.00 0.00 13 E 7.37 4.47 0.00 1.37 1.12 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 1.47 1.93 0.00 14 R 7.99 4.36 0.00 1.43 1.54 0.00 3.25 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.00 15 R 8.22 4.02 0.00 1.33 1.34 0.00 3.20 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.49 0.00 16 Y 8.68 4.15 0.00 3.05 3.06 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 0.00 0.00 0.00 17 G 8.13 4.15 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 0.00 0.00 0.00 18 T 8.50 4.98 4.38 0.00 0.00 0.00 0.00 0.00 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 19 C 9.09 4.45 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 4.03 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.94 0.00 0.00 21 Y 8.13 4.36 0.00 2.80 2.86 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 22 Q 9.21 3.17 0.00 1.32 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.06 0.00 0.00 0.00 0.00 0.00 2.07 2.26 0.00 23 G 8.36 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 24 R 7.90 4.67 0.00 2.07 1.91 0.00 3.22 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 25 L 8.96 5.62 0.00 1.69 1.74 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.26 5.05 0.00 3.65 3.05 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 27 A 8.45 4.13 1.19 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 28 F 8.32 3.91 0.00 2.96 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.36 4.98 0.00 3.06 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.69 4.50 0.00 3.06 2.88 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