NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1240 7.9133 120.6508 62.9419 33.2386 174.7902 2 C 5.2375 8.6744 123.1644 54.8321 42.3655 171.9468 3 S 4.8051 9.5716 118.6361 57.0785 67.7033 172.3483 4 C 5.2907 8.9101 121.0801 56.2143 37.7744 173.1692 5 R 4.8807 8.9591 123.6506 54.0539 32.6185 177.2868 6 L 3.9143 9.0419 124.5731 57.7000 42.5149 177.1379 7 V 3.9659 7.7220 113.7917 63.6232 33.1563 174.9359 8 F 5.1997 7.6461 115.7298 55.5756 42.2026 175.7527 9 C 4.6443 8.6843 120.4399 56.4235 39.7866 173.9671 10 R 4.3020 8.8431 121.3815 56.0080 30.2348 178.3944 11 R 4.0567 8.4248 118.1392 58.7151 30.1880 177.8205 12 T 4.4052 7.8365 107.1135 61.2531 69.3375 173.7503 13 E 4.9392 7.8664 121.1815 54.6138 32.7918 174.6448 14 L 4.6919 8.5832 123.7877 53.0325 44.5554 175.4829 15 R 4.3332 8.6864 126.6916 56.9838 29.8445 175.7345 16 V 4.1543 8.7931 127.1383 62.9894 33.3710 176.7194 17 G 4.2325 7.3521 109.7228 46.1331 0.0000 171.3876 18 N 5.6262 8.8039 120.4605 51.7834 42.9375 174.5288 19 C 5.0431 9.1254 117.9399 55.1044 43.9597 172.9580 20 L 5.3245 8.4979 123.0676 53.5517 44.2034 175.7546 21 I 4.4846 8.8222 127.5554 60.3894 39.8518 176.0559 22 G 3.9653 9.9012 114.7036 46.6522 0.0000 174.2048 23 G 3.9089 8.6180 105.8606 44.9327 0.0000 174.0455 24 V 4.2184 7.6261 119.9870 60.7339 33.3715 174.1983 25 S 4.9918 8.2346 121.6465 57.6613 63.2815 172.9301 26 F 4.8991 9.3361 124.9400 55.8372 43.1661 174.1266 27 T 4.7118 9.0695 118.0566 63.1495 70.2132 173.5571 28 Y 5.0605 9.1616 128.5386 56.9873 40.0567 173.2693 29 C 5.4514 9.0261 125.3673 55.2826 40.1178 172.6207 30 C 5.5389 8.9424 121.0904 54.9754 43.3972 174.1281 31 T 4.5683 8.3471 113.2636 60.7294 69.0381 174.6545 32 R 4.0392 8.7260 122.6290 58.8988 30.2699 176.6660 33 V 4.0329 7.4148 120.1073 61.8237 31.5538 174.7654 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 V 7.91 4.12 2.05 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 0.92 0.00 0.00 0.92 0.00 0.00 2 C 8.67 5.24 0.00 2.69 1.68 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 0.00 0.00 0.00 0.00 3 S 9.57 4.81 0.00 3.64 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 4 C 8.91 5.29 0.00 2.68 2.89 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 5 R 8.96 4.88 0.00 1.80 1.87 0.00 3.34 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 6 L 9.04 3.91 0.00 1.73 1.72 0.53 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.72 3.97 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.66 0.00 0.00 0.69 0.00 0.00 8 F 7.65 5.20 0.00 3.06 2.80 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 9 C 8.68 4.64 0.00 3.01 3.04 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 10 R 8.84 4.30 0.00 1.91 1.86 0.00 3.30 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 11 R 8.42 4.06 0.00 1.79 1.97 0.00 3.16 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 12 T 7.84 4.41 4.23 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 1.20 0.00 0.00 13 E 7.87 4.94 0.00 2.10 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 2.18 2.18 0.00 14 L 8.58 4.69 0.00 1.69 1.48 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.69 4.33 0.00 1.91 1.88 0.00 3.30 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 16 V 8.79 4.15 2.14 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 0.91 0.00 0.00 0.96 0.00 0.00 17 G 7.35 4.23 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 0.00 18 N 8.80 5.63 0.00 2.57 2.78 0.00 0.00 6.57 7.66 0.00 0.00 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 C 9.13 5.04 0.00 2.98 2.92 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 20 L 8.50 5.32 0.00 1.61 1.55 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.82 4.48 1.94 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 0.88 0.00 0.00 22 G 9.90 3.97 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 0.00 0.00 0.00 23 G 8.62 3.91 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 0.00 0.00 0.00 24 V 7.63 4.22 2.34 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 0.42 0.00 0.00 0.98 0.00 0.00 25 S 8.23 4.99 0.00 3.86 3.62 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 0.00 26 F 9.34 4.90 0.00 3.07 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 27 T 9.07 4.71 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 28 Y 9.16 5.06 0.00 2.94 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 29 C 9.03 5.45 0.00 2.81 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 30 C 8.94 5.54 0.00 2.72 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 31 T 8.35 4.57 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 1.18 0.00 0.00 32 R 8.73 4.04 0.00 1.78 2.00 0.00 3.17 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 33 V 7.41 4.03 2.07 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 0.77 0.00 0.00 0.93 0.00 0.00