NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2709 8.0976 117.2639 55.0897 30.8277 174.6140 2 P 4.6174 0.0000 0.0000 61.1676 32.4094 174.6694 3 T 4.6765 8.0263 110.5422 60.7494 71.7690 175.2629 4 D 4.6336 8.6037 124.6636 53.5158 40.9381 175.9287 5 I 4.2020 8.1392 121.6298 61.2251 37.5852 175.8111 6 K 4.6887 8.7839 127.3971 57.4399 33.1401 175.1379 7 C 4.8736 8.6569 115.3672 54.9631 44.6995 174.6184 8 S 4.1391 9.1462 115.0236 59.5878 63.5028 173.9738 9 E 4.7177 7.4928 118.2458 54.9247 33.5912 175.9610 10 S 4.2624 9.0083 117.1199 61.5163 63.0992 176.3708 11 Y 4.4882 7.9204 116.2807 58.7503 37.8711 177.2774 12 Q 3.9540 7.1000 120.0727 58.6934 28.7054 177.2925 13 C 4.4265 8.2180 117.6674 59.2196 36.0561 175.6096 14 F 4.2940 8.2842 122.1914 60.9719 38.8745 175.3095 15 P 3.4210 0.0000 0.0000 65.2799 31.1721 178.4550 16 V 3.4505 6.9987 114.9205 66.0168 31.3634 177.4447 17 C 4.4889 8.6467 116.7211 59.8455 36.4987 175.9818 18 K 4.0669 7.8263 122.5339 58.6299 31.4635 179.0475 19 S 3.9980 7.9058 113.1656 61.2921 62.4798 175.7401 20 R 3.8052 7.8060 120.0890 58.8453 30.0497 177.6931 21 F 4.7373 7.8389 115.2918 56.9663 39.6492 176.6528 22 G 3.9183 8.1412 106.1080 46.0629 0.0000 173.8469 23 K 4.4442 7.8052 118.7165 54.9928 33.5040 178.2112 24 T 3.9077 8.2675 110.6903 64.8039 69.1792 173.8101 25 N 4.7480 7.6156 118.4425 52.7721 42.9635 173.2945 26 G 4.7668 8.5503 108.5324 44.8220 0.0000 172.1837 27 R 4.8883 9.1152 115.9576 54.5390 33.4699 173.8459 28 C 4.8928 8.8151 122.4242 55.7082 43.7603 173.0308 29 V 4.0777 9.0232 128.0222 62.0131 31.1284 175.7243 30 N 4.2170 9.8099 126.6593 54.4875 36.2255 175.4699 31 G 3.6814 8.7396 102.7773 46.1788 0.0000 173.1670 32 F 5.4596 7.8986 117.1828 55.4786 43.7907 173.5819 33 C 4.9403 9.3915 120.6304 57.0930 42.8618 172.1935 34 D 5.2214 9.3978 123.0102 52.8770 43.3457 174.0129 35 C 5.3454 9.1275 124.4851 56.0211 41.6391 174.1954 36 F 4.4094 8.5710 115.9372 57.5989 37.4941 173.9120 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 R 8.10 4.27 0.00 1.90 2.01 0.00 2.51 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.30 0.00 2 P 0.00 4.62 0.00 2.26 2.16 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 3 T 8.03 4.68 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 1.29 0.00 0.00 4 D 8.60 4.63 0.00 2.43 2.52 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 5 I 8.14 4.20 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.96 0.00 0.00 6 K 8.78 4.69 0.00 1.66 1.92 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 7 C 8.66 4.87 0.00 3.16 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 8 S 9.15 4.14 0.00 3.94 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.49 4.72 0.00 1.79 1.68 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 2.34 2.47 0.00 10 S 9.01 4.26 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.49 0.00 3.13 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 12 Q 7.10 3.95 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.71 0.00 0.00 0.00 0.00 0.00 1.91 1.16 0.00 13 C 8.22 4.43 0.00 3.15 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.28 4.29 0.00 3.05 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 15 P 0.00 3.42 0.00 2.06 1.78 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 16 V 7.00 3.45 2.29 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 1.11 0.00 0.00 0.88 0.00 0.00 17 C 8.65 4.49 0.00 3.14 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.83 4.07 0.00 1.83 1.54 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.29 7.81 19 S 7.91 4.00 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 3.81 0.00 1.46 1.21 0.00 2.91 0.00 0.00 2.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 21 F 7.84 4.74 0.00 3.18 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 22 G 8.14 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 23 K 7.81 4.44 0.00 1.88 1.87 0.00 1.54 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.48 7.81 24 T 8.27 3.91 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 1.22 0.00 0.00 25 N 7.62 4.75 0.00 2.53 1.76 0.00 0.00 6.56 7.43 0.00 0.00 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 G 8.55 4.77 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 0.00 0.00 0.00 27 R 9.12 4.89 0.00 1.94 2.18 0.00 2.72 0.00 0.00 2.99 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.67 0.00 28 C 8.82 4.89 0.00 3.06 3.07 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 29 V 9.02 4.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.03 0.00 0.00 30 N 9.81 4.22 0.00 3.01 2.96 0.00 0.00 7.30 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 31 G 8.74 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 0.00 0.00 0.00 32 F 7.90 5.46 0.00 3.09 2.80 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 33 C 9.39 4.94 0.00 2.99 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 34 D 9.40 5.22 0.00 2.79 2.70 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 35 C 9.13 5.35 0.00 2.71 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 36 F 8.57 4.41 0.00 3.11 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