NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1376 8.2649 123.5739 52.1521 19.8843 176.7240 2 C 4.6490 7.9719 116.8932 55.1981 40.5107 171.5709 3 Y 4.8696 9.1113 119.4346 56.4964 42.5808 173.5964 4 C 5.4182 9.1342 121.3572 56.9529 42.3369 173.2735 5 R 5.2166 9.9256 122.7779 54.5072 34.0129 174.4232 6 I 4.8881 8.6784 122.4511 59.0882 39.5775 174.0805 7 P 4.3396 0.0000 0.0000 64.3899 32.0132 175.3324 8 A 4.4739 7.3270 119.2026 51.2358 21.6956 176.2567 9 C 4.5530 8.6169 117.3198 57.0374 41.9052 173.9190 10 I 4.3066 8.4549 115.2898 58.9467 38.9379 175.1357 11 A 4.0364 8.3367 123.8669 54.4114 18.3319 178.3120 12 G 3.9938 9.1507 110.6510 44.9880 0.0000 172.9606 13 E 4.9294 7.8749 118.0824 54.6329 32.3824 175.0355 14 R 4.6382 8.5769 118.5101 54.2612 34.5122 174.8421 15 R 4.7010 8.2339 121.5641 56.1235 30.3582 175.4655 16 Y 4.5754 8.9371 123.9446 57.5096 39.2442 176.7084 17 G 4.2061 7.3991 106.3826 46.2894 0.0000 171.6658 18 T 5.2605 8.5628 115.8627 62.2681 72.7008 174.2009 19 C 5.0725 9.5976 122.9739 55.3593 43.2915 172.9417 20 I 5.2748 8.3189 123.0952 60.1147 39.1788 174.4832 21 Y 4.8446 9.2309 123.7785 57.0291 40.7083 174.1854 22 Q 3.5330 9.8675 117.6502 57.2280 26.4491 174.5766 23 G 3.9951 8.6415 101.9833 46.2199 0.0000 174.2515 24 R 4.5874 7.9046 117.4144 53.8609 33.6960 174.0504 25 L 5.2450 7.9844 119.6292 53.1970 43.4305 176.0841 26 W 5.0803 9.1816 122.1836 54.5454 33.6620 174.5808 27 A 4.5596 9.1029 125.3924 52.0022 19.4845 176.2982 28 F 5.3505 9.2945 125.1598 57.1907 41.0141 173.7959 29 C 5.5777 9.0333 124.5155 55.3364 44.2237 173.8045 30 C 4.5766 9.2492 119.7355 57.1885 42.0797 173.9525 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 4.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.65 0.00 2.55 1.82 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 4.87 0.00 2.84 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 9.13 5.42 0.00 2.91 3.24 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 5 R 9.93 5.22 0.00 1.80 1.90 0.00 3.23 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 6 I 8.68 4.89 1.66 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.20 0.73 0.00 0.00 7 P 0.00 4.34 0.00 2.15 2.13 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 8 A 7.33 4.47 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.55 0.00 2.98 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 10 I 8.45 4.31 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.90 0.00 0.00 11 A 8.34 4.04 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 12 G 9.15 3.99 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 0.00 0.00 0.00 13 E 7.87 4.93 0.00 2.10 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 0.00 2.30 2.27 0.00 14 R 8.58 4.64 0.00 0.98 1.30 0.00 3.20 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 15 R 8.23 4.70 0.00 1.79 1.78 0.00 3.23 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 16 Y 8.94 4.58 0.00 2.99 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 17 G 7.40 4.21 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 0.00 18 T 8.56 5.26 4.31 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 1.36 0.00 0.00 19 C 9.60 5.07 0.00 3.13 3.21 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 20 I 8.32 5.27 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 0.99 0.00 0.00 21 Y 9.23 4.84 0.00 3.10 2.96 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 0.00 0.00 0.00 0.00 22 Q 9.87 3.53 0.00 2.42 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 23 G 8.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.59 0.00 1.80 1.26 0.00 3.08 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.69 0.00 25 L 7.98 5.24 0.00 1.41 1.56 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.18 5.08 0.00 3.30 3.19 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 27 A 9.10 4.56 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 28 F 9.29 5.35 0.00 3.19 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 29 C 9.03 5.58 0.00 2.99 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 9.25 4.58 0.00 2.77 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