NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 5.4449 8.1827 119.4015 57.1609 40.1423 174.2973 2 V 3.4560 8.1969 120.4166 66.9878 31.1467 176.5372 3 N 4.4304 9.0350 116.5585 56.7985 39.1376 177.0044 4 Q 4.1347 8.1641 118.6768 58.7948 28.6738 177.8313 5 Y 4.0846 8.5250 120.8262 60.5389 38.6297 177.4464 6 L 4.0809 8.6164 120.5096 57.8675 41.7235 178.9855 7 C 4.2678 8.2124 118.7921 62.3855 31.5445 175.7421 8 G 3.6673 8.1707 107.3937 47.7687 0.0000 175.5300 9 S 3.8305 7.4519 114.4999 61.5159 62.4075 176.1152 10 H 4.1531 7.9320 118.3322 58.6658 28.6531 177.3628 11 L 3.9188 8.2446 121.3027 58.1031 41.6111 179.9393 12 V 3.2974 7.4586 117.6520 65.5309 31.3426 177.7671 13 E 3.9153 7.7097 118.4484 59.0629 29.3960 178.6219 14 A 4.0320 8.0393 120.8578 54.8519 18.3435 179.7312 15 L 3.6754 7.5773 117.6158 57.8042 41.7142 178.7159 16 Y 4.1870 7.5495 119.0506 60.7636 38.4840 178.0406 17 L 3.8733 7.5746 118.9923 58.1358 42.3575 178.6825 18 V 3.6930 7.7005 116.9830 66.4703 31.9154 177.7521 19 C 4.3023 8.7241 116.4149 60.8938 27.8707 175.2022 20 G 3.6043 8.2730 109.9385 46.6370 0.0000 176.3874 21 E 4.0796 8.7304 121.4456 58.5003 29.7859 178.2691 22 R 3.8823 7.6765 117.7799 57.4442 30.2175 177.5073 23 G 3.8292 9.2814 103.0956 45.2689 0.0000 171.3389 24 F 4.8481 7.2241 111.6843 56.4034 40.0057 172.8780 25 F 4.5022 9.0666 119.1753 55.6212 41.4434 174.3724 26 Y 4.8335 8.8456 125.8025 56.1208 39.7681 175.2415 27 T 4.3891 7.7718 117.7922 58.3857 69.2429 172.2785 28 P 3.5099 0.0000 0.0000 65.5179 31.2965 176.8207 29 K 4.4546 6.4702 114.2993 56.1874 34.3818 174.3862 30 T 4.1986 8.0536 119.4567 63.1384 69.2800 173.9820 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 8.18 5.44 0.00 3.14 3.04 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 0.00 0.00 0.00 0.00 2 V 8.20 3.46 2.17 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 1.08 0.00 0.00 1.00 0.00 0.00 3 N 9.04 4.43 0.00 2.83 2.92 0.00 0.00 6.92 7.36 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 4 Q 8.16 4.13 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 5 Y 8.52 4.08 0.00 2.99 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 8.62 4.08 0.00 2.05 1.75 1.09 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.21 4.27 0.00 3.04 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 8 G 8.17 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 3.83 0.00 3.65 3.70 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 10 H 7.93 4.15 0.00 3.31 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.24 3.92 0.00 1.65 1.69 1.02 0.76 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 12 V 7.46 3.30 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.27 0.00 0.00 13 E 7.71 3.92 0.00 2.16 1.96 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 2.26 2.36 0.00 14 A 8.04 4.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 3.68 0.00 0.95 0.56 0.71 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.55 4.19 0.00 3.23 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 17 L 7.57 3.87 0.00 1.72 1.85 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.70 3.69 2.09 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 0.87 0.00 0.00 0.94 0.00 0.00 19 C 8.72 4.30 0.00 3.14 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 20 G 8.27 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.08 0.00 1.95 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 2.27 2.31 0.00 22 R 7.68 3.88 0.00 1.97 2.03 0.00 3.18 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 23 G 9.28 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 0.00 0.00 0.00 24 F 7.22 4.85 0.00 3.19 3.04 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 0.00 0.00 0.00 0.00 25 F 9.07 4.50 0.00 3.10 3.03 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 0.00 0.00 0.00 26 Y 8.85 4.83 0.00 3.16 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 27 T 7.77 4.39 4.20 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 1.30 0.00 0.00 28 P 0.00 3.51 0.00 2.12 2.16 0.00 3.68 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 29 K 6.47 4.45 0.00 1.50 1.68 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.21 7.81 30 T 8.05 4.20 4.20 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 1.19 0.00 0.00