NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6406 8.2785 119.2046 53.1814 39.5500 174.6431 4 A 3.8336 8.4925 129.3501 54.1206 18.4131 177.2986 5 K 3.8821 8.4650 119.6440 59.6011 32.7963 177.1749 6 A 4.0031 8.3160 121.1198 55.1692 18.2850 179.3466 7 D 4.3007 8.2437 117.4913 57.6320 40.8426 178.8632 8 Q 3.9653 8.2752 119.8391 58.9428 28.9384 177.9695 9 A 3.9823 8.1972 122.0621 55.0305 18.4016 179.5095 10 S 3.9937 8.1747 111.6212 61.5591 62.5037 176.2229 11 S 4.0788 8.1110 115.7225 61.7342 62.1563 175.9625 12 D 4.3534 8.5235 121.5994 57.2310 40.4894 178.6353 13 A 4.0270 8.3820 121.7557 55.2268 18.3135 179.7206 14 Q 3.9543 8.1901 116.6312 59.2529 28.7423 178.9472 15 T 3.8352 8.0957 116.6219 66.7172 68.4709 176.3936 16 A 4.0132 8.0877 122.4552 55.2504 18.2926 179.4478 17 N 4.2741 8.3948 114.8068 56.3285 38.5929 177.4904 18 A 3.9855 8.1849 122.2443 55.1111 18.4271 179.9190 19 K 3.9026 8.1264 116.7758 59.5910 32.0996 179.5536 20 A 3.9946 8.3947 121.4753 55.1474 18.2368 179.4460 21 D 4.2714 8.4509 117.8565 57.5660 40.8707 178.7646 22 Q 3.9402 8.1484 119.8850 59.0400 28.9544 178.0676 23 A 3.9732 8.2180 121.9927 55.2273 18.4206 179.5813 24 S 4.0096 8.3090 111.7806 61.3579 62.4858 175.8298 25 N 4.2782 8.2817 119.7572 56.9237 38.6653 176.5712 26 D 4.3517 8.2892 120.0623 57.3407 40.8138 178.6879 27 A 3.9695 8.3563 121.6584 55.0806 18.3805 179.2120 28 N 4.2091 8.3719 115.4151 56.7566 38.9607 177.0180 29 A 3.9899 8.1415 122.0026 55.0540 18.3811 179.4560 30 A 3.9367 8.3033 119.5760 55.3307 18.4699 180.0934 31 R 3.8500 8.2667 116.8400 59.4046 30.1749 179.2654 32 S 4.0924 8.1390 112.8564 61.5640 62.3408 175.9457 33 D 4.3634 8.4860 121.7447 57.3181 40.5139 178.6761 34 A 3.9892 8.4069 121.7072 55.1230 18.3417 179.7519 35 Q 3.9208 8.2673 116.4891 58.9894 28.7248 178.6987 36 A 3.9831 8.1456 121.5944 55.1191 18.3223 179.5397 37 A 3.9254 8.2916 119.4662 55.2283 18.4121 179.9699 38 K 3.9002 8.1974 117.0110 59.7595 32.1114 179.3527 39 D 4.3280 8.1366 119.1190 57.4432 40.7993 178.3908 40 D 4.3065 8.4021 118.5114 57.1550 41.1965 178.1461 41 A 3.9954 8.4363 121.6233 54.9582 18.2809 179.4386 42 A 3.9369 8.2390 119.5224 55.2324 18.4324 179.7246 43 R 3.7916 8.1347 117.0674 59.6478 30.1485 178.6686 44 A 4.0173 7.8974 120.4084 55.2204 18.2698 179.3889 45 N 4.3883 8.2416 115.0603 56.2809 38.6436 177.7881 46 Q 3.9868 8.3872 119.9843 58.9105 28.5587 178.7854 47 R 3.9142 7.9608 118.0097 59.1466 30.2258 178.6837 48 A 4.1352 7.9765 120.4430 55.3668 18.2065 179.4064 49 D 4.3402 8.2367 116.4221 56.8560 40.9612 177.8365 50 N 4.7750 7.7048 113.3144 51.8681 39.4272 175.1956 51 A 4.0916 7.0130 123.8402 51.7471 19.1939 177.8206 52 A 4.1677 8.4404 121.9578 52.5455 18.4252 177.8154 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 3 N 8.28 4.64 0.00 2.74 2.80 0.00 0.00 6.96 6.84 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 4 A 8.49 3.83 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 3.88 0.00 1.83 1.93 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.51 7.81 6 A 8.32 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.30 0.00 2.86 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 8 Q 8.28 3.97 0.00 2.25 2.09 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 2.35 2.42 0.00 9 A 8.20 3.98 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 10 S 8.17 3.99 0.00 3.91 4.05 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 11 S 8.11 4.08 0.00 3.94 3.98 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 12 D 8.52 4.35 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.03 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 14 Q 8.19 3.95 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 15 T 8.10 3.84 4.41 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 0.00 0.00 0.00 1.21 0.00 0.00 16 A 8.09 4.01 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 17 N 8.39 4.27 0.00 2.88 2.88 0.00 0.00 6.91 7.35 0.00 0.00 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 A 8.18 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 3.90 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 20 A 8.39 3.99 1.32 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 0.00 0.00 0.00 21 D 8.45 4.27 0.00 2.83 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 22 Q 8.15 3.94 0.00 2.18 2.23 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 2.35 2.42 0.00 23 A 8.22 3.97 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 24 S 8.31 4.01 0.00 4.00 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 25 N 8.28 4.28 0.00 2.80 2.97 0.00 0.00 7.25 8.09 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 26 D 8.29 4.35 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.97 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 28 N 8.37 4.21 0.00 2.88 2.96 0.00 0.00 7.10 7.45 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 29 A 8.14 3.99 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 30 A 8.30 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.27 3.85 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 32 S 8.14 4.09 0.00 3.90 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 33 D 8.49 4.36 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.27 3.92 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 36 A 8.15 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 3.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.90 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 39 D 8.14 4.33 0.00 2.84 2.71 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 40 D 8.40 4.31 0.00 2.87 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 4.00 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 42 A 8.24 3.94 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 43 R 8.13 3.79 0.00 1.89 2.14 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 44 A 7.90 4.02 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 45 N 8.24 4.39 0.00 2.77 2.87 0.00 0.00 7.00 8.31 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 46 Q 8.39 3.99 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 47 R 7.96 3.91 0.00 1.94 1.99 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 48 A 7.98 4.14 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.34 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 7.70 4.78 0.00 2.71 2.83 0.00 0.00 7.00 7.30 0.00 0.00 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 A 7.01 4.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 4.17 1.24 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 0.00 0.00