NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3061 8.2649 123.5826 51.3929 20.7040 176.4358 4 E 4.5750 7.8511 114.6222 53.8030 31.9871 173.3885 5 I 4.3576 8.0232 119.5258 59.8604 41.9592 173.6680 6 N 4.7526 8.4426 125.5604 50.9290 38.9247 172.8217 7 P 4.2337 0.0000 0.0000 65.2355 31.6400 178.2619 8 L 4.1743 8.0028 117.3412 57.0879 41.8357 177.5751 9 H 4.7353 8.3581 114.8591 57.2320 30.6345 175.9491 10 A 3.5673 7.4052 124.0195 50.5635 16.9685 177.4559 11 Y 4.1310 7.2530 119.9707 58.5911 38.8299 178.0813 12 F 4.2595 5.9929 113.4183 56.9942 38.5424 175.1461 13 K 4.3256 6.9248 122.8626 54.6927 32.0312 175.0327 14 L 4.4746 8.0640 126.0454 52.6383 42.9758 175.5345 15 P 4.4368 0.0000 0.0000 63.1046 31.7619 175.9970 16 N 5.0629 8.5803 115.7231 52.3531 38.4702 173.9722 17 T 4.7835 7.6601 107.5231 60.1697 72.0005 173.4048 18 V 4.5215 8.0797 120.9078 60.1311 34.4090 174.7992 19 S 4.6375 8.4833 117.9342 56.6663 66.0455 173.2949 20 L 4.5111 8.4804 124.8769 53.5765 42.4422 176.3895 21 V 4.5342 7.9184 115.4401 59.9171 35.8582 174.3945 22 A 4.4605 7.7101 121.5507 51.8262 21.5571 175.6790 23 G 3.9644 8.1052 107.9966 45.6994 0.0000 172.2243 24 S 4.5455 8.4063 113.5158 57.1576 65.7508 172.9794 25 S 4.4665 7.8800 112.5867 58.1737 64.4723 175.2171 26 E 4.4228 8.5758 124.0984 55.4923 30.9175 175.5429 27 G 4.1503 7.8043 106.5287 45.1615 0.0000 173.6599 28 E 4.2331 8.7546 119.3759 57.8375 30.1399 177.3637 29 T 4.7441 7.3649 108.4500 58.3816 73.1231 172.7196 30 P 4.2332 0.0000 0.0000 65.7929 31.3353 178.7227 31 L 3.9932 7.9010 118.5447 58.3660 42.0194 178.6376 32 N 4.3730 8.4788 116.2443 56.0293 38.4429 177.3639 33 A 4.1628 8.3607 122.5900 55.0462 18.5213 179.2791 34 F 4.0630 8.5277 119.4950 61.6130 39.4222 176.7088 35 D 4.3831 8.6273 117.9374 57.4508 41.0098 178.5318 36 G 3.6414 8.5702 107.2760 47.0503 0.0000 175.6167 37 A 3.9233 7.9085 123.0104 54.9074 18.4223 179.6623 38 L 3.7344 7.6064 117.4780 57.7802 41.6697 179.6999 39 L 3.9183 7.9146 118.8773 57.9899 41.4062 179.1714 40 N 4.2774 8.3755 115.5021 56.4722 38.9295 176.1159 41 A 4.4391 7.4935 122.1709 52.2310 18.8418 178.2228 42 G 3.9840 8.2416 105.6956 45.0590 0.0000 173.8149 43 I 4.5231 7.5756 112.8305 60.4621 37.8233 176.6983 44 G 3.8084 8.1910 109.5203 47.5925 0.0000 174.7001 45 N 5.0157 7.9126 116.8224 52.8426 39.2926 174.5088 46 V 4.4207 7.5005 109.0947 59.5332 35.7815 174.8856 47 A 4.4549 8.3840 124.5508 50.8531 19.2234 177.0525 48 L 4.2435 8.4607 123.7223 54.3338 42.5009 176.6790 49 I 4.2083 8.1137 125.0320 59.2882 37.3735 175.4535 50 R 4.0464 8.5429 127.0825 55.9574 30.4784 175.6078 51 I 4.5910 8.1846 118.7113 59.2100 39.9662 175.6035 52 S 4.1640 8.2884 115.8065 58.8172 62.8336 173.7020 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 A 8.26 4.31 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 4 E 7.85 4.58 0.00 2.03 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 0.00 2.21 2.36 0.00 5 I 8.02 4.36 1.84 0.00 0.00 0.76 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 0.52 0.88 0.00 0.00 6 N 8.44 4.75 0.00 2.67 2.62 0.00 0.00 7.16 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 7 P 0.00 4.23 0.00 2.04 2.08 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 8 L 8.00 4.17 0.00 1.69 1.72 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.36 4.74 0.00 3.19 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.41 3.57 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.25 4.13 0.00 3.08 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 F 5.99 4.26 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.92 4.33 0.00 1.53 1.50 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.36 7.81 14 L 8.06 4.47 0.00 1.66 1.57 0.98 1.13 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 15 P 0.00 4.44 0.00 2.03 1.98 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 16 N 8.58 5.06 0.00 2.77 2.83 0.00 0.00 5.83 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 17 T 7.66 4.78 4.24 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 1.21 0.00 0.00 18 V 8.08 4.52 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 19 S 8.48 4.64 0.00 3.81 3.75 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 20 L 8.48 4.51 0.00 1.62 1.60 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.92 4.53 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.90 0.00 0.00 22 A 7.71 4.46 1.20 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 0.00 0.00 23 G 8.11 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 0.00 0.00 0.00 24 S 8.41 4.55 0.00 3.95 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.88 4.47 0.00 3.79 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 4.42 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 27 G 7.80 4.15 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 0.00 0.00 0.00 28 E 8.75 4.23 0.00 1.98 2.02 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 2.31 2.30 0.00 29 T 7.36 4.74 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 30 P 0.00 4.23 0.00 2.17 2.14 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 2.11 2.15 0.00 31 L 7.90 3.99 0.00 1.75 1.68 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.48 4.37 0.00 2.94 2.87 0.00 0.00 6.92 6.69 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 33 A 8.36 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.53 4.06 0.00 3.20 3.31 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 35 D 8.63 4.38 0.00 2.99 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 36 G 8.57 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 37 A 7.91 3.92 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 38 L 7.61 3.73 0.00 1.65 1.61 0.79 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.91 3.92 0.00 1.85 1.69 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.38 4.28 0.00 2.70 2.95 0.00 0.00 7.29 7.99 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 41 A 7.49 4.44 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.24 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 0.00 0.00 0.00 43 I 7.58 4.52 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.70 0.89 0.00 0.00 44 G 8.19 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 5.02 0.00 2.68 2.80 0.00 0.00 6.73 7.68 0.00 0.00 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 V 7.50 4.42 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 47 A 8.38 4.45 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 48 L 8.46 4.24 0.00 1.71 1.66 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.11 4.21 1.87 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 1.29 0.54 0.91 0.00 0.00 50 R 8.54 4.05 0.00 1.79 1.85 0.00 3.22 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 I 8.18 4.59 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 0.97 0.00 0.00 52 S 8.29 4.16 0.00 3.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00