NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1473 8.2549 117.2631 54.7695 30.9089 175.0537 2 P 3.8926 0.0000 0.0000 62.7360 31.9217 175.5348 3 D 4.3591 8.7683 122.9440 57.7241 41.6834 179.0186 4 F 5.0669 7.8624 115.2700 59.4042 37.6519 177.7898 5 C 4.6200 7.7687 116.7199 59.2347 40.0015 174.7999 6 L 4.2514 7.8719 119.2360 54.2522 42.2207 176.6606 7 E 4.3047 7.8041 118.8325 54.7312 30.6024 174.8225 8 P 4.5229 0.0000 0.0000 61.6424 32.1482 174.4373 9 P 3.7543 0.0000 0.0000 62.6796 31.5336 175.4795 10 Y 4.5833 7.6820 119.9744 55.9591 40.5642 175.1424 11 T 4.1736 8.4544 125.5634 64.8342 68.7999 176.0846 12 G 3.5341 6.6021 108.6210 44.1157 0.0000 171.0486 13 P 4.4524 0.0000 0.0000 62.9684 31.5406 176.5961 14 C 4.5652 7.6800 117.8716 56.5471 41.3035 173.5983 15 K 4.3692 8.1931 116.4972 56.6744 32.5722 176.1876 16 A 4.1367 8.1706 122.3826 51.9585 19.6913 177.6663 17 R 4.9586 8.0734 117.2263 54.5140 29.3315 175.0144 18 I 4.4916 8.0093 121.5015 59.1665 40.7069 175.9071 19 I 4.2502 8.2198 127.3643 61.2327 37.8730 175.3587 20 R 4.6247 8.2852 124.6280 54.5897 35.0095 173.4891 21 Y 5.6352 9.1925 117.7863 56.4971 41.0833 175.3058 22 F 5.7313 9.3681 117.0151 55.1580 41.7080 173.3115 23 Y 4.3584 9.6929 123.8242 57.7513 39.4608 175.0998 24 N 4.5436 8.3969 126.5544 51.5111 38.1855 174.9198 25 A 3.5570 8.2510 127.7255 54.6965 18.7642 178.8194 26 K 3.8721 8.1685 114.8723 58.8845 32.2092 177.0176 27 A 4.3239 7.8310 119.3621 51.6894 19.9864 177.8159 28 G 3.9405 9.8778 104.0117 44.9322 0.0000 172.3144 29 L 4.7067 6.8036 118.5623 54.5355 44.3436 175.1478 30 C 4.9012 8.6300 116.3470 56.8521 42.3225 173.2505 31 Q 4.8515 8.4320 121.2263 54.1704 32.8596 174.3347 32 T 5.1053 8.5522 110.1322 61.3304 70.6067 174.0195 33 F 5.0857 8.6899 116.9499 55.6525 42.0454 173.1138 34 V 4.2487 8.4259 120.1538 62.3425 32.4665 174.2390 35 Y 4.7978 8.6832 130.3182 56.0710 40.0738 176.4008 36 G 3.9919 8.7334 114.5997 46.2150 0.0000 174.7341 37 G 3.8499 6.2338 106.6997 45.3535 0.0000 172.4913 38 C 4.9118 7.1700 112.2709 55.2882 44.3700 173.1765 39 R 3.8989 8.8377 116.7446 56.9728 26.6443 176.6935 40 A 4.0782 8.4532 119.5164 52.8152 18.7353 178.7182 41 K 4.3142 8.3461 121.3594 55.1717 33.8848 176.9995 42 R 3.6321 8.1367 117.5123 58.4889 30.5189 177.4815 43 N 4.8715 8.1993 118.5272 51.4136 37.2089 174.0378 44 N 5.0788 6.8602 116.2368 52.7718 41.8923 173.1541 45 F 4.9450 9.5970 125.3834 55.3607 41.8546 176.6490 46 K 4.2416 9.0472 126.4149 58.3231 32.7794 177.2001 47 S 4.8664 8.1096 112.5742 56.1881 65.3941 174.5034 48 A 3.4854 8.1015 130.0493 54.3760 18.0954 179.3571 49 E 3.6968 7.8713 118.2961 59.7275 29.7491 178.7691 50 D 4.2910 7.9495 118.2614 57.3053 40.9033 179.2107 51 C 2.4500 7.5628 118.7965 59.2728 44.7083 175.6510 52 M 3.9800 7.6549 118.3045 57.7454 30.5798 178.5775 53 R 3.7355 7.5152 119.4252 59.7125 30.4393 178.2045 54 T 3.9703 7.9056 114.3368 66.2500 68.5593 174.6367 55 C 4.3394 8.0565 116.2398 57.1050 42.2799 174.1965 56 G 3.5264 7.4874 112.6343 45.6024 0.0000 173.1722 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 4.15 0.00 1.77 1.85 0.00 3.02 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 2 P 0.00 3.89 0.00 1.23 1.57 0.00 3.43 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.00 0.00 3 D 8.77 4.36 0.00 2.78 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 4 F 7.86 5.07 0.00 3.67 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.77 4.62 0.00 2.95 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 6 L 7.87 4.25 0.00 1.72 1.76 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.80 4.30 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.28 0.00 8 P 0.00 4.52 0.00 2.08 2.02 0.00 3.76 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 1.95 1.93 0.00 9 P 0.00 3.75 0.00 0.66 0.49 0.00 3.24 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.00 10 Y 7.68 4.58 0.00 2.76 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 11 T 8.45 4.17 4.14 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 1.14 0.00 0.00 12 G 6.60 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.17 2.16 0.00 3.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 14 C 7.68 4.57 0.00 2.90 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 15 K 8.19 4.37 0.00 1.78 1.82 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.34 7.81 16 A 8.17 4.14 1.16 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 0.00 0.00 17 R 8.07 4.96 0.00 1.62 1.81 0.00 3.13 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 18 I 8.01 4.49 1.79 0.00 0.00 0.79 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 0.59 0.94 0.00 0.00 19 I 8.22 4.25 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.39 0.57 0.00 0.00 20 R 8.29 4.62 0.00 0.83 1.74 0.00 3.36 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 21 Y 9.19 5.64 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 22 F 9.37 5.73 0.00 3.11 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 23 Y 9.69 4.36 0.00 3.01 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 24 N 8.40 4.54 0.00 2.29 2.49 0.00 0.00 6.65 8.18 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 25 A 8.25 3.56 1.38 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 0.00 0.00 0.00 26 K 8.17 3.87 0.00 1.72 2.04 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 27 A 7.83 4.32 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.88 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.80 4.71 0.00 1.67 1.73 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.63 4.90 0.00 2.84 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.43 4.85 0.00 1.47 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 32 T 8.55 5.11 4.17 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 0.00 0.00 0.00 1.21 0.00 0.00 33 F 8.69 5.09 0.00 3.07 3.17 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 0.00 0.00 0.00 0.00 34 V 8.43 4.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.91 0.00 0.00 35 Y 8.68 4.80 0.00 2.54 2.72 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 0.00 0.00 0.00 0.00 36 G 8.73 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 37 G 6.23 3.85 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 0.00 0.00 0.00 38 C 7.17 4.91 0.00 3.06 2.98 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 0.00 0.00 0.00 39 R 8.84 3.90 0.00 2.15 2.41 0.00 3.33 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 40 A 8.45 4.08 1.06 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 0.00 0.00 41 K 8.35 4.31 0.00 1.68 1.76 0.00 1.45 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.09 1.12 7.81 42 R 8.14 3.63 0.00 1.10 0.66 0.00 2.65 0.00 0.00 2.90 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.24 0.00 43 N 8.20 4.87 0.00 3.21 2.87 0.00 0.00 6.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 6.86 5.08 0.00 2.73 2.63 0.00 0.00 7.09 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.60 4.94 0.00 3.35 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 46 K 9.05 4.24 0.00 1.79 1.94 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.51 7.81 47 S 8.11 4.87 0.00 3.95 3.94 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 0.00 0.00 0.00 0.00 48 A 8.10 3.49 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.87 3.70 0.00 2.00 1.90 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 2.25 2.30 0.00 50 D 7.95 4.29 0.00 2.99 2.83 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 51 C 7.56 2.45 0.00 2.70 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 52 M 7.65 3.98 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.72 0.00 53 R 7.52 3.74 0.00 1.86 2.00 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 54 T 7.91 3.97 4.17 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 0.00 0.00 0.00 1.51 0.00 0.00 55 C 8.06 4.34 0.00 2.68 1.97 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 56 G 7.49 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00