NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3654 8.3001 118.1876 55.0437 32.5782 174.3516 2 A 4.6141 7.8867 124.0152 48.7265 21.5580 173.4041 3 D 4.4658 8.2529 126.7298 53.7407 42.6838 175.4824 4 K 4.0866 8.2206 121.1726 56.9429 32.7799 176.0504 5 T 3.4676 8.5750 116.1758 62.0842 67.8284 172.3744 6 I 3.8439 7.7525 114.2333 62.0962 38.5348 174.9025 7 F 5.2686 8.4492 127.0517 56.9235 41.6382 173.3704 8 N 5.2085 8.5412 118.1527 52.8059 41.0476 173.5457 9 D 4.2401 8.6126 128.2189 55.6848 40.9521 177.4364 10 H 4.2622 6.2118 120.1066 56.9502 28.9226 175.6393 11 L 4.7208 8.4523 122.4371 55.3417 42.3722 176.3223 12 N 4.8742 7.8051 116.7098 50.8799 39.9963 173.8257 13 T 3.6187 8.2527 111.8165 63.7406 67.0614 173.2109 14 N 5.3106 6.1444 121.5889 52.0443 39.9326 174.6837 15 P 4.4091 0.0000 0.0000 64.8004 32.4386 177.9197 16 K 4.2032 7.8254 118.6095 59.4304 32.6382 178.5833 17 T 4.1402 7.8559 115.3279 66.7386 68.1449 175.4075 18 N 4.3699 7.9854 118.7563 56.7474 38.8631 176.5916 19 L 4.2249 7.7528 120.9351 58.0166 42.6588 179.0468 20 R 3.8798 8.7868 119.4504 59.1975 29.8581 178.2061 21 L 4.2978 8.0022 118.0798 57.5606 40.9405 178.4960 22 W 4.5752 7.9161 128.5627 60.3273 30.9169 178.2268 23 V 3.7993 8.8965 118.7348 65.8719 30.9332 177.7104 24 A 4.1193 8.0904 119.9920 54.3781 18.2134 179.3042 25 F 4.1718 7.9323 119.6446 61.3047 39.3958 176.9578 26 Q 3.3760 6.9552 116.0402 58.1584 28.7107 177.3582 27 M 3.8685 7.5131 119.4082 58.2462 32.2035 177.1771 28 M 4.1960 7.7350 117.1303 57.3356 33.1531 177.6344 29 K 4.3078 7.6065 118.4816 58.8941 32.8192 179.2421 30 G 3.9189 7.8881 105.6822 47.8251 0.0000 175.1935 31 A 4.3097 8.0093 122.1913 54.2771 18.3268 178.8345 32 G 3.9497 8.4952 103.2461 46.1357 0.0000 174.9560 33 W 4.7982 8.0357 130.0869 59.9096 30.7162 177.7092 34 A 3.7026 7.9123 120.5822 54.5854 18.2253 179.6722 35 G 3.8457 7.6471 105.6415 47.5014 0.0000 175.8283 36 G 3.7059 7.5848 108.4729 46.5205 0.0000 176.2781 37 V 3.3604 7.7582 120.7754 65.8095 31.5634 177.9082 38 F 4.3236 8.4662 120.6010 61.3611 39.3935 177.0760 39 F 3.7281 8.1701 119.8775 61.0777 38.8819 177.2140 40 G 4.3590 7.8501 106.2136 47.2439 0.0000 175.7564 41 T 3.9039 7.3635 117.1159 66.2490 68.6921 177.0649 42 L 3.7986 7.9210 121.4955 57.6562 41.4315 179.6489 43 L 3.8436 8.4748 119.9432 58.4816 40.0977 179.1339 44 L 3.6172 7.4057 120.7998 57.4526 41.8988 178.7175 45 I 3.9733 8.1937 119.8750 63.8955 37.2398 178.5646 46 G 3.6378 8.6753 106.9736 47.4049 0.0000 175.2179 47 F 4.3455 8.1918 122.4913 60.7111 39.3907 177.6280 48 F 4.2966 8.2921 117.5687 60.0522 38.5290 177.7944 49 R 4.0658 8.6008 115.5026 58.8816 29.9560 178.9006 50 V 3.7489 7.5102 112.8961 64.0021 31.3719 178.6579 51 V 3.6109 7.4189 117.0419 65.0249 31.3064 177.2714 52 G 3.9851 7.3510 103.3473 44.3828 0.0000 173.9445 53 R 4.5969 7.6479 120.0704 56.2339 31.9134 175.9603 54 M 4.9214 7.6969 116.4201 54.8963 33.4177 175.4704 55 L 4.6543 7.6693 117.2690 54.9692 47.0845 176.9515 56 P 4.5291 0.0000 0.0000 64.6942 31.1388 178.7606 57 I 4.2468 7.5775 113.6199 63.5938 37.3499 177.7725 58 Q 4.0769 7.8039 119.4421 57.3399 29.0968 177.6350 59 E 3.8967 8.5015 119.9052 58.3309 30.1288 176.6879 60 N 4.7391 8.2620 114.8547 52.2894 40.1090 174.5587 61 Q 4.0891 7.9798 113.7114 56.0024 27.4868 172.9760 62 A 4.7475 7.4095 118.5028 49.4262 22.0477 174.3231 63 P 4.2956 0.0000 0.0000 64.0708 30.8827 176.5940 64 A 4.3221 8.4229 124.3750 51.8172 20.2404 178.1122 65 P 4.2319 0.0000 0.0000 64.5667 31.5441 176.0320 66 N 5.0503 7.7627 114.5935 50.6877 39.4802 173.7476 67 I 4.7371 7.9418 116.6391 59.5833 39.3612 173.5123 68 T 3.9899 8.0167 108.1617 59.7615 69.3428 174.6266 69 G 4.5151 8.2988 109.2927 45.3086 0.0000 172.8735 70 A 4.3725 7.7629 127.2184 52.0048 19.2751 176.8756 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 M 8.30 4.37 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 2 A 7.89 4.61 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 3 D 8.25 4.47 0.00 2.72 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 4 K 8.22 4.09 0.00 1.69 1.70 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.39 7.81 5 T 8.57 3.47 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 6 I 7.75 3.84 2.11 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.97 0.00 0.00 7 F 8.45 5.27 0.00 3.01 2.88 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 8 N 8.54 5.21 0.00 2.78 2.71 0.00 0.00 7.54 8.50 0.00 0.00 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 D 8.61 4.24 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 H 6.21 4.26 0.00 3.05 3.13 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.45 4.72 0.00 1.70 1.71 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.81 4.87 0.00 2.84 2.88 0.00 0.00 6.06 7.71 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 13 T 8.25 3.62 4.25 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 1.22 0.00 0.00 14 N 6.14 5.31 0.00 3.06 3.11 0.00 0.00 7.32 7.44 0.00 0.00 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 P 0.00 4.41 0.00 2.05 2.15 0.00 3.67 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 2.02 2.13 0.00 16 K 7.83 4.20 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.46 7.81 17 T 7.86 4.14 4.36 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 1.46 0.00 0.00 18 N 7.99 4.37 0.00 3.12 2.78 0.00 0.00 6.68 6.45 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 19 L 7.75 4.22 0.00 1.79 1.70 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.79 3.88 0.00 2.04 2.02 0.00 3.24 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 21 L 8.00 4.30 0.00 1.97 2.05 1.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 22 W 7.92 4.58 0.00 3.75 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 23 V 8.90 3.80 2.19 0.00 0.00 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 1.15 0.00 0.00 24 A 8.09 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 4.17 0.00 2.97 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 26 Q 6.96 3.38 0.00 1.76 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.11 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 27 M 7.51 3.87 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 28 M 7.73 4.20 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 29 K 7.61 4.31 0.00 1.84 1.77 0.00 1.84 0.00 0.00 1.96 0.00 0.00 3.37 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.46 7.81 30 G 7.89 3.92 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 0.00 0.00 0.00 31 A 8.01 4.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 33 W 8.04 4.80 0.00 3.39 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 34 A 7.91 3.70 1.26 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 0.00 0.00 0.00 35 G 7.65 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 36 G 7.58 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 0.00 0.00 0.00 37 V 7.76 3.36 1.41 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 0.52 0.00 0.00 -0.34 0.00 0.00 38 F 8.47 4.32 0.00 2.85 3.13 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 0.00 0.00 0.00 39 F 8.17 3.73 0.00 3.19 2.91 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 40 G 7.85 4.36 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 0.00 41 T 7.36 3.90 4.31 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 0.00 0.00 1.12 0.00 0.00 42 L 7.92 3.80 0.00 1.06 1.30 -0.21 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.47 3.84 0.00 1.85 2.23 0.80 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.41 3.62 0.00 1.90 1.48 0.51 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.19 3.97 1.88 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 0.53 0.89 0.00 0.00 46 G 8.68 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.19 4.35 0.00 3.20 3.34 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 48 F 8.29 4.30 0.00 3.31 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 4.07 0.00 1.92 2.21 0.00 3.10 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 50 V 7.51 3.75 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 1.01 0.00 0.00 0.73 0.00 0.00 51 V 7.42 3.61 1.85 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 0.63 0.00 0.00 0.41 0.00 0.00 52 G 7.35 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 53 R 7.65 4.60 0.00 1.92 2.01 0.00 3.24 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 54 M 7.70 4.92 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 55 L 7.67 4.65 0.00 1.83 1.51 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.53 0.00 2.26 2.06 0.00 3.52 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 57 I 7.58 4.25 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.17 0.94 0.00 0.00 58 Q 7.80 4.08 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 59 E 8.50 3.90 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 2.30 2.23 0.00 60 N 8.26 4.74 0.00 2.78 2.72 0.00 0.00 7.19 6.65 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 61 Q 7.98 4.09 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.35 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 62 A 7.41 4.75 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.30 0.00 2.18 1.95 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 64 A 8.42 4.32 1.31 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 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.23 0.00 2.04 2.16 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 66 N 7.76 5.05 0.00 2.75 2.75 0.00 0.00 6.74 7.62 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 67 I 7.94 4.74 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.03 0.96 0.00 0.00 68 T 8.02 3.99 4.57 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 0.00 0.00 0.00 1.40 0.00 0.00 69 G 8.30 4.52 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 0.00 0.00 0.00 70 A 7.76 4.37 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