NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3584 8.2549 119.0745 54.9994 31.0816 175.1806 4 P 4.1767 0.0000 0.0000 60.3761 31.8754 174.6632 5 R 3.8728 9.3601 124.1985 57.1310 31.3072 175.1904 6 T 4.6170 8.0385 120.2941 61.7473 72.1993 172.5588 7 A 4.1631 7.7419 123.4816 50.9473 21.8609 175.9883 8 F 4.8891 8.0334 122.2107 56.8183 40.2248 176.5420 9 S 4.5144 10.0427 121.0605 58.0793 64.7544 175.6800 10 S 4.3890 8.4696 117.5703 60.7876 62.4332 176.4389 11 E 4.1018 8.0790 120.7019 58.5262 29.5706 178.2106 12 Q 4.1676 7.6000 117.9033 58.1715 29.3228 177.7716 13 L 3.5575 8.4305 121.2558 57.5426 40.9107 177.8773 14 A 4.4397 7.5838 117.5155 52.4640 18.8447 178.1051 15 R 4.2830 7.9550 117.7721 57.2316 30.6345 178.3078 16 L 3.8402 7.2752 118.6824 57.6513 41.4275 179.1267 17 K 4.3506 7.5919 118.7189 59.2725 32.2109 178.9424 18 R 4.3501 7.1719 116.6260 57.7242 30.2504 183.4017 19 E 4.4224 7.9196 115.9790 59.2766 29.4696 177.8210 20 F 4.4471 8.4288 117.6857 59.0615 39.3849 175.3477 21 N 4.6056 7.8186 114.6137 55.0735 40.0161 175.4635 22 E 4.1605 7.8092 119.5698 57.5370 30.1457 176.1125 23 N 4.3879 7.0939 112.2066 52.9220 41.7092 174.3090 24 R 3.6895 8.7614 124.0124 57.5391 30.6399 175.7514 25 Y 4.6693 7.8649 116.6037 56.0506 39.3021 175.8200 26 L 4.4232 8.5254 124.7119 54.5708 42.9888 176.5865 27 T 4.7540 7.8561 115.6305 60.9143 73.3036 174.7006 28 E 3.8823 8.6967 123.5633 59.9385 29.6058 179.4964 29 R 3.9087 7.9243 117.8564 59.2237 30.1785 178.0005 30 R 4.0477 7.8859 117.7102 58.4296 29.9643 178.2426 31 R 3.7758 7.9372 118.6729 60.1374 30.4196 177.4575 32 Q 3.8557 8.5655 117.2237 58.3791 28.2975 179.6068 33 Q 3.7663 8.7505 119.1250 59.1590 29.2444 180.3887 34 L 3.9819 7.7995 119.6682 57.5360 41.5988 179.5881 35 S 4.1343 8.4726 113.8936 61.3302 62.1682 176.0292 36 S 4.3404 7.9176 115.5332 60.5362 62.8353 175.7068 37 E 4.1919 7.4920 121.4099 58.9477 28.6796 178.2057 38 L 4.2625 8.5768 117.8447 54.7732 41.6392 178.4418 39 G 3.9374 7.5642 106.2867 46.2008 0.0000 173.8722 40 L 4.4533 7.1105 120.2571 53.2764 43.2044 175.1328 41 N 4.8689 8.3077 117.4273 52.2829 40.4625 174.6461 42 E 4.2873 8.4664 125.4170 59.8953 29.8163 179.7900 43 A 4.2760 8.0841 119.4334 54.6741 18.5185 179.0978 44 Q 4.3016 9.1971 117.7552 58.3494 29.0002 178.4849 45 I 3.7544 7.5784 120.6113 64.1766 37.2034 177.8697 46 K 3.8312 8.4492 120.9148 59.9289 31.9783 178.7650 47 I 3.9515 7.6096 118.3337 63.5514 36.9867 178.2238 48 W 4.1117 8.2790 129.1869 60.4086 30.5749 177.9236 49 F 3.9173 8.6266 117.7014 60.6912 38.3286 177.2803 50 Q 3.9617 7.9119 117.2793 59.4117 28.6187 179.2315 51 N 4.1749 7.9503 116.9090 56.1027 38.5522 177.4812 52 K 3.2315 7.5863 121.2071 59.1485 31.9829 178.8819 53 R 3.9742 8.0913 118.4401 59.4917 29.8243 178.8425 54 A 3.9445 7.8554 119.0608 54.9646 18.4083 179.4502 55 K 3.9125 7.7729 118.1062 59.5513 32.1692 178.5643 56 I 3.6432 7.7843 118.2964 64.8454 38.0685 176.9897 57 K 3.7724 8.6477 118.2187 59.9701 31.7004 179.8807 58 K 4.4926 7.9440 121.8986 58.7799 33.2586 176.2711 59 S 4.3059 8.5004 118.5997 58.5669 62.9491 173.8022 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 R 8.25 4.36 0.00 1.85 1.81 0.00 3.24 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 4 P 0.00 4.18 0.00 2.09 2.00 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 5 R 9.36 3.87 0.00 1.74 1.81 0.00 3.16 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 6 T 8.04 4.62 4.06 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 1.03 0.00 0.00 7 A 7.74 4.16 1.07 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 0.00 0.00 8 F 8.03 4.89 0.00 3.05 2.85 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 9 S 10.04 4.51 0.00 3.95 4.02 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 0.00 0.00 0.00 0.00 10 S 8.47 4.39 0.00 3.90 3.96 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 11 E 8.08 4.10 0.00 1.93 1.99 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 2.30 2.39 0.00 12 Q 7.60 4.17 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 13 L 8.43 3.56 0.00 1.83 1.66 0.84 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.58 4.44 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 15 R 7.95 4.28 0.00 1.84 1.94 0.00 3.13 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 16 L 7.28 3.84 0.00 0.68 0.13 -0.49 0.90 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 17 K 7.59 4.35 0.00 1.76 2.02 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.82 1.65 7.81 18 R 7.17 4.35 0.00 2.00 1.84 0.00 3.26 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 19 E 7.92 4.42 0.00 2.35 2.31 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 0.00 2.43 2.52 0.00 20 F 8.43 4.45 0.00 2.82 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.61 0.00 3.02 2.81 0.00 0.00 7.03 7.65 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 22 E 7.81 4.16 0.00 2.17 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 2.33 2.37 0.00 23 N 7.09 4.39 0.00 2.70 2.72 0.00 0.00 7.01 7.65 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 24 R 8.76 3.69 0.00 1.66 1.58 0.00 3.10 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 25 Y 7.86 4.67 0.00 2.96 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 26 L 8.53 4.42 0.00 1.40 1.42 -1.26 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.86 4.75 4.26 0.00 0.00 0.00 0.00 0.00 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 28 E 8.70 3.88 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 29 R 7.92 3.91 0.00 1.91 1.91 0.00 3.22 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 30 R 7.89 4.05 0.00 1.92 1.89 0.00 3.26 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 31 R 7.94 3.78 0.00 1.92 1.89 0.00 3.49 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 32 Q 8.57 3.86 0.00 2.33 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.29 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 33 Q 8.75 3.77 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 34 L 7.80 3.98 0.00 1.73 1.64 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.47 4.13 0.00 4.03 3.83 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 36 S 7.92 4.34 0.00 3.87 3.89 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 37 E 7.49 4.19 0.00 2.02 1.94 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 2.31 2.42 0.00 38 L 8.58 4.26 0.00 1.58 1.63 0.80 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.56 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 40 L 7.11 4.45 0.00 1.80 1.66 0.89 1.10 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 41 N 8.31 4.87 0.00 2.76 2.70 0.00 0.00 6.85 7.65 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 42 E 8.47 4.29 0.00 2.08 2.00 0.00 0.00 0.00 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 2.37 0.00 43 A 8.08 4.28 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 44 Q 9.20 4.30 0.00 2.21 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 45 I 7.58 3.75 2.00 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 1.41 0.62 0.69 0.00 0.00 46 K 8.45 3.83 0.00 1.76 1.85 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.52 7.81 47 I 7.61 3.95 1.99 0.00 0.00 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 1.46 0.74 0.97 0.00 0.00 48 W 8.28 4.11 0.00 3.52 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.63 3.92 0.00 3.29 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 50 Q 7.91 3.96 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 51 N 7.95 4.17 0.00 2.94 2.61 0.00 0.00 6.76 7.03 0.00 0.00 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 K 7.59 3.23 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.34 7.81 53 R 8.09 3.97 0.00 2.03 1.92 0.00 2.97 0.00 0.00 2.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 54 A 7.86 3.94 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 55 K 7.77 3.91 0.00 1.72 1.76 0.00 1.55 0.00 0.00 1.44 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.37 7.81 56 I 7.78 3.64 2.11 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.97 0.96 0.00 0.00 57 K 8.65 3.77 0.00 2.12 1.81 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.54 7.81 58 K 7.94 4.49 0.00 1.66 1.77 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.47 7.81 59 S 8.50 4.31 0.00 3.97 3.83 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