NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 5.0274 8.3244 122.8248 57.0621 41.7757 175.1910 2 V 3.3856 7.3884 122.7372 63.8729 32.9669 175.8020 3 N 4.6317 7.5168 118.8920 50.5831 37.8075 172.1344 4 Q 4.4065 7.0205 116.3145 55.5578 31.6186 173.8578 5 H 4.3777 8.6890 115.6936 55.3613 28.8625 175.0450 6 L 4.7126 8.5015 124.8865 53.1499 43.5445 175.6768 7 C 4.9764 8.1810 120.7216 58.5119 32.9673 175.7223 8 G 3.8170 8.4350 110.9141 46.5049 0.0000 177.3744 9 S 4.1280 8.6549 117.6918 61.2438 63.0980 176.2868 10 H 4.2424 8.2759 118.3943 58.5305 28.3116 177.4950 11 L 3.9019 7.7715 121.8104 58.0323 42.1059 178.8659 12 V 3.2465 7.4894 118.2229 66.0006 31.3881 177.9066 13 E 4.0417 8.2843 118.0884 59.1562 29.1809 179.1785 14 A 4.1418 7.7763 121.0198 55.2055 18.3759 179.6645 15 L 3.5749 7.6009 117.4959 57.7524 41.3373 179.1010 16 Y 4.2812 7.6661 119.3638 60.8669 38.5636 178.3148 17 L 3.8209 7.8658 118.4960 57.5614 41.8167 179.4895 18 V 3.7285 7.7867 117.4103 66.3835 32.0214 177.7993 19 C 4.3009 8.5012 116.6746 60.5333 28.5125 175.0911 20 G 3.6243 8.2852 109.5903 46.7075 0.0000 176.2534 21 E 4.2409 8.7943 122.9939 57.9440 29.5648 177.9954 22 R 3.9329 7.7970 117.8895 56.9774 30.3592 177.6594 23 G 3.8915 9.3006 105.4047 45.3517 0.0000 171.2863 24 F 4.8356 7.4127 112.3650 56.2244 40.0630 172.7802 25 F 4.9828 8.4049 114.9669 55.0335 40.1562 173.6651 26 Y 4.7902 8.9871 124.2927 56.4076 39.9600 175.2106 27 T 4.3359 8.0648 124.5960 60.6182 69.3805 172.0405 28 P 3.9287 0.0000 0.0000 64.6225 31.5091 177.2428 29 K 4.3273 7.6316 119.3782 55.0036 32.0945 176.1468 30 A 4.1459 8.1405 125.8300 52.5174 18.9248 175.7897 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 F 8.32 5.03 0.00 2.89 2.95 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 2 V 7.39 3.39 1.73 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 0.61 0.00 0.00 -0.15 0.00 0.00 3 N 7.52 4.63 0.00 2.72 2.72 0.00 0.00 6.71 7.69 0.00 0.00 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 Q 7.02 4.41 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 5 H 8.69 4.38 0.00 3.18 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.50 4.71 0.00 1.57 1.57 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.18 4.98 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 3.82 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 0.00 0.00 0.00 9 S 8.65 4.13 0.00 4.01 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 0.00 10 H 8.28 4.24 0.00 3.38 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.77 3.90 0.00 1.80 1.77 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.49 3.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.26 0.00 0.00 13 E 8.28 4.04 0.00 2.08 2.03 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 0.00 2.29 2.54 0.00 14 A 7.78 4.14 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 15 L 7.60 3.57 0.00 0.88 0.13 0.70 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.67 4.28 0.00 3.18 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 17 L 7.87 3.82 0.00 2.06 1.88 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.79 3.73 2.04 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 0.76 0.00 0.00 0.80 0.00 0.00 19 C 8.50 4.30 0.00 3.24 3.23 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 20 G 8.29 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 0.00 0.00 0.00 21 E 8.79 4.24 0.00 1.97 2.03 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 0.00 2.30 2.28 0.00 22 R 7.80 3.93 0.00 2.09 2.04 0.00 3.24 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 23 G 9.30 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 0.00 0.00 0.00 24 F 7.41 4.84 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.98 0.00 3.17 3.02 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 26 Y 8.99 4.79 0.00 3.12 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 27 T 8.06 4.34 4.29 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 1.23 0.00 0.00 28 P 0.00 3.93 0.00 1.90 1.98 0.00 3.42 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.08 0.00 29 K 7.63 4.33 0.00 1.69 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.36 7.81 30 A 8.14 4.15 1.19 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 0.00 0.00 0.00