NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1334 8.0093 120.7866 61.0064 39.1802 174.5207 2 T 4.4698 8.2907 116.4068 59.3654 71.1476 171.4965 3 A 4.6985 7.9451 125.3020 50.3634 23.3981 176.9101 4 K 4.3896 8.2462 118.7081 54.9200 34.1004 175.1182 5 P 4.2918 0.0000 0.0000 62.1785 31.7692 176.4702 6 A 4.0394 8.4958 123.4616 52.7791 18.6319 178.3770 7 K 4.2056 8.7231 122.6534 59.0310 32.7039 177.7650 8 T 4.6083 7.3210 107.2378 58.0872 68.3710 170.9428 9 P 4.0923 0.0000 0.0000 64.2466 32.2624 176.3920 10 T 4.5926 8.1726 118.8679 61.6159 69.0057 175.1192 11 S 4.3766 9.1223 122.9516 57.4019 65.0698 173.2247 12 P 4.1943 0.0000 0.0000 65.5692 30.9640 178.9471 13 K 3.9094 7.9412 118.0086 59.5760 32.2028 178.5873 14 E 3.9789 8.0173 118.6814 59.5601 29.2752 179.4332 15 Q 3.9622 8.4221 118.2664 58.7663 28.7011 178.5708 16 A 3.9298 8.2087 122.0382 55.0419 18.2901 179.8297 17 I 3.7229 7.8004 118.4570 64.4681 37.2175 178.8783 18 G 3.6001 8.1900 106.6426 47.6110 0.0000 175.4038 19 L 3.8889 8.1723 123.2280 57.9938 42.0565 179.2298 20 S 4.0214 8.0316 115.0505 61.6299 62.7923 176.9182 21 V 3.6300 8.0799 121.1046 66.2026 31.3802 178.2116 22 T 4.0323 8.1847 115.4681 66.8479 68.4169 176.5942 23 F 4.1848 8.8943 120.0674 60.7630 38.9732 177.8449 24 L 4.1933 8.5274 118.9862 57.6893 41.1672 179.6655 25 S 4.2477 8.2409 113.4979 60.8509 61.6481 176.1660 26 F 4.2296 8.0576 120.5546 60.0499 39.0326 178.0459 27 L 4.3856 8.1682 118.6051 57.6186 41.4275 179.3788 28 L 4.0517 8.1359 118.9680 57.3819 41.6354 177.6314 29 P 4.2957 0.0000 0.0000 65.6882 31.3391 178.5568 30 A 4.1999 7.6621 119.0988 55.1841 18.2539 179.8475 31 G 3.6712 8.5534 104.6006 47.6193 0.0000 175.5833 32 W 4.2488 8.8444 131.2095 60.3193 30.5771 178.0974 33 V 3.7682 8.0156 116.6162 66.3158 31.2207 177.6686 34 L 4.1597 8.2829 118.7124 57.8466 41.1701 178.9686 35 Y 3.9393 8.0419 118.9519 60.7092 39.1406 176.8165 36 H 4.1403 7.6527 115.2365 55.4714 28.6711 176.8449 37 L 3.9083 7.0642 124.1801 58.4058 41.6053 179.4288 38 D 4.2982 7.7257 117.6805 57.2520 40.5132 178.4169 39 N 4.3257 7.3531 115.9810 55.7500 38.4397 176.7234 40 Y 4.5608 7.2082 117.0632 61.0232 38.5394 177.1721 41 K 4.2044 7.6925 117.2838 58.2517 32.7577 177.3366 42 K 4.4308 7.3074 126.7411 54.6889 32.5884 176.3495 43 S 4.2610 8.2428 120.0451 58.9408 63.7054 175.5517 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 I 8.01 4.13 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.91 0.00 0.00 2 T 8.29 4.47 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 3 A 7.95 4.70 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 4 K 8.25 4.39 0.00 1.87 1.83 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.45 7.81 5 P 0.00 4.29 0.00 2.06 2.03 0.00 3.70 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 2.03 2.09 0.00 6 A 8.50 4.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.72 4.21 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.32 4.61 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 P 0.00 4.09 0.00 2.05 2.06 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 10 T 8.17 4.59 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 11 S 9.12 4.38 0.00 4.01 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 12 P 0.00 4.19 0.00 2.16 2.13 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 13 K 7.94 3.91 0.00 1.77 1.79 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 8.02 3.98 0.00 2.34 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 2.32 2.34 0.00 15 Q 8.42 3.96 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 16 A 8.21 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 3.72 2.04 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 1.44 0.84 0.91 0.00 0.00 18 G 8.19 3.60 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 0.00 0.00 0.00 19 L 8.17 3.89 0.00 1.71 1.66 0.71 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.03 4.02 0.00 4.04 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 21 V 8.08 3.63 2.16 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 1.07 0.00 0.00 1.03 0.00 0.00 22 T 8.18 4.03 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 23 F 8.89 4.18 0.00 3.16 3.12 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 0.00 0.00 0.00 24 L 8.53 4.19 0.00 1.94 1.79 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.24 4.25 0.00 4.05 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 4.23 0.00 3.34 3.12 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 0.00 0.00 0.00 27 L 8.17 4.39 0.00 1.80 1.78 0.98 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.14 4.05 0.00 1.78 1.75 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.30 0.00 2.17 2.10 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 30 A 7.66 4.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 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 32 W 8.84 4.25 0.00 3.49 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 33 V 8.02 3.77 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.34 0.00 0.00 34 L 8.28 4.16 0.00 2.03 1.75 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.04 3.94 0.00 2.96 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 36 H 7.65 4.14 0.00 2.35 2.17 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.06 3.91 0.00 1.67 1.65 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.73 4.30 0.00 2.56 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.35 4.33 0.00 2.31 2.70 0.00 0.00 7.03 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.21 4.56 0.00 3.06 2.87 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 41 K 7.69 4.20 0.00 1.86 1.88 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.67 7.81 42 K 7.31 4.43 0.00 1.76 1.68 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.40 7.81 43 S 8.24 4.26 0.00 3.98 3.71 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 0.00 0.00 0.00 0.00