NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1819 8.2501 119.6964 56.1836 31.7787 176.3707 2 A 3.8995 8.0136 122.5207 54.1437 19.3466 177.2513 3 A 4.3347 8.2368 118.3055 50.6995 20.6073 173.8890 4 P 4.3711 0.0000 0.0000 65.6200 31.6427 177.2742 5 Y 4.4014 7.8201 114.6185 56.8986 38.7031 175.1325 6 G 4.2190 8.3705 109.6804 44.2052 0.0000 172.5012 7 V 4.4493 8.0564 121.1873 59.1896 34.1593 175.6298 8 R 4.0864 8.5913 121.7438 56.1587 29.9480 176.0436 9 L 4.8945 8.3359 122.6911 53.0614 45.1697 175.9492 10 C 4.7977 8.2123 119.1130 58.8628 33.4653 175.2178 11 G 3.8409 8.4678 110.7066 46.8456 0.0000 177.0878 12 R 4.0137 8.5839 120.4788 58.9235 29.8420 178.1849 13 E 3.9105 8.1303 118.2789 59.1045 29.6170 178.8373 14 F 4.1795 8.0682 120.5975 61.5293 39.5479 177.2612 15 I 2.9107 7.3464 118.8359 64.1389 36.8165 178.7095 16 R 3.7498 8.2478 119.0761 59.0741 29.7851 178.9799 17 A 3.8699 7.7957 120.5927 54.8418 18.2023 179.9200 18 V 3.3559 7.1126 116.4090 66.2424 31.5360 178.4634 19 I 3.5722 7.4626 119.4987 64.0122 36.6998 178.4002 20 F 4.1060 8.7571 119.2051 61.0777 38.5671 177.8932 21 T 3.9600 7.9951 114.0472 66.6699 68.2959 176.2092 22 C 4.2857 8.0443 120.1767 60.4345 31.5936 173.9118 23 G 3.6722 7.5578 107.9507 45.8353 0.0000 173.3060 24 G 3.9002 8.0817 103.4988 46.0965 0.0000 175.2525 25 S 4.3196 8.2932 115.1375 60.4311 63.8514 176.5522 26 R 4.6572 7.5644 112.0451 54.6753 29.8593 174.1831 27 W 4.6023 8.3425 122.4970 58.0396 30.1758 175.6393 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 R 8.25 4.18 0.00 1.77 1.97 0.00 3.27 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 2 A 8.01 3.90 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 3 A 8.24 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.37 0.00 2.12 2.16 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 5 Y 7.82 4.40 0.00 3.06 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 6 G 8.37 4.22 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 0.00 7 V 8.06 4.45 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 0.97 0.00 0.00 0.96 0.00 0.00 8 R 8.59 4.09 0.00 1.83 1.93 0.00 3.30 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 9 L 8.34 4.89 0.00 1.79 1.76 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.21 4.80 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.58 4.01 0.00 1.92 2.02 0.00 3.20 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 13 E 8.13 3.91 0.00 2.27 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 2.37 2.38 0.00 14 F 8.07 4.18 0.00 3.17 3.20 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 0.00 15 I 7.35 2.91 1.78 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.95 0.25 0.00 0.00 16 R 8.25 3.75 0.00 1.76 1.58 0.00 3.38 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 17 A 7.80 3.87 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 18 V 7.11 3.36 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.33 0.00 0.00 19 I 7.46 3.57 1.87 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 0.97 0.00 0.00 20 F 8.76 4.11 0.00 3.05 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.00 3.96 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 1.24 0.00 0.00 22 C 8.04 4.29 0.00 3.11 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.56 3.67 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 0.00 0.00 0.00 24 G 8.08 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 S 8.29 4.32 0.00 4.11 4.09 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 26 R 7.56 4.66 0.00 1.79 1.97 0.00 2.89 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 27 W 8.34 4.60 0.00 3.19 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00