NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.1193 8.2085 108.0314 46.3506 0.0000 172.1549 2 A 5.1874 8.3935 120.6199 49.9963 22.6054 173.5169 3 M 5.0168 9.3068 118.6534 53.4397 37.3327 172.6668 4 E 5.1149 9.1324 120.9053 54.2534 32.8008 174.9644 5 A 4.7862 9.0324 129.6077 52.0764 19.3737 177.5625 6 I 4.3714 9.1738 113.4563 60.7589 39.2256 175.1036 7 Y 4.9943 7.8386 118.6332 56.0419 42.0209 174.6796 8 A 4.7012 8.9089 123.8338 52.2284 19.7096 176.3628 9 Y 4.8623 9.2183 122.5816 55.7711 42.4142 173.4747 10 E 4.6598 7.9740 127.0001 53.9616 30.9724 175.1834 11 A 4.3332 8.4373 129.3866 52.8535 18.8882 177.1792 12 Q 4.4560 9.1383 118.5725 55.3975 30.1917 175.2982 13 G 4.0443 7.2834 106.1629 44.9728 0.0000 173.9964 14 D 4.5335 8.6175 118.2148 56.1756 41.0739 177.2522 15 D 4.6865 7.9924 118.2711 54.5501 41.3574 175.2698 16 E 5.5056 7.9225 119.0209 54.5532 32.2552 175.2607 17 I 4.6908 8.5190 115.0232 59.2908 40.0266 175.6056 18 S 4.8911 8.6764 120.3088 58.5237 63.8375 173.5424 19 I 4.9412 8.8873 115.7304 59.4194 41.3077 173.7694 20 D 5.3397 9.3571 123.1439 51.5381 44.7520 173.8254 21 P 4.4094 0.0000 0.0000 64.7456 31.6724 177.1104 22 G 3.9738 9.0982 111.5900 45.1514 0.0000 173.5945 23 D 4.4794 7.9116 120.2819 54.7240 42.0336 175.3751 24 I 4.7510 8.1914 122.8704 59.8501 39.0954 175.0399 25 I 4.5245 8.5911 127.6999 59.4292 40.2696 175.0758 26 T 4.3809 8.6941 125.1361 63.4519 69.4545 173.9770 27 V 4.1422 8.6903 127.7975 63.0888 31.6707 175.2742 28 I 4.3692 8.9164 128.8959 62.5068 39.0877 176.3495 29 R 4.5729 7.9329 122.2366 54.3595 32.9616 174.9411 30 G 4.0949 8.8768 113.6582 45.6105 0.0000 172.5290 31 D 4.8151 8.9426 120.0752 54.0612 41.5474 176.4952 32 D 4.7105 8.5693 124.4407 52.8428 39.1909 176.4203 33 G 4.0145 8.7898 109.4897 46.1247 0.0000 176.4577 34 S 4.1835 8.3059 114.2295 59.7951 63.4632 175.5006 35 G 3.7823 8.4662 110.0704 44.4428 0.0000 172.3365 36 W 5.0065 7.8544 119.2468 54.8787 32.6112 174.5735 37 T 4.5728 8.2128 120.3379 61.8223 71.1089 172.5195 38 Y 5.0051 8.7069 126.8744 56.7937 40.6886 174.9163 39 G 3.9157 8.2849 112.5547 45.8884 0.0000 170.4210 40 E 5.0541 8.8293 120.7017 54.4389 32.9002 175.3551 41 C 4.8458 8.8514 127.0786 58.4918 33.7947 173.2300 42 D 4.4549 9.9044 128.2739 55.3341 39.1491 174.0787 43 G 3.9738 8.4012 104.7175 44.9562 0.0000 172.9854 44 L 4.7960 7.8228 120.2029 52.7573 44.3658 175.5610 45 K 4.8223 8.8548 122.6711 54.1907 34.4355 176.2845 46 G 4.1747 7.8276 109.4349 46.5735 0.0000 171.1704 47 L 5.3232 8.4899 120.4227 54.4875 43.0033 176.6781 48 F 5.5595 9.0735 117.2879 54.3424 42.2403 172.1272 49 P 3.6922 0.0000 0.0000 62.2218 31.7491 177.1727 50 T 3.7846 8.2079 121.4369 66.5629 68.4540 176.4231 51 S 4.3600 7.8019 113.1675 60.3044 63.4750 174.1365 52 Y 4.5041 8.3898 118.8750 58.8398 37.8309 174.3602 53 C 5.4170 8.1749 117.2773 57.7088 32.4684 174.2074 54 K 4.2165 9.1549 119.4457 57.2089 32.2755 176.0827 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 G 8.21 4.12 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 0.00 0.00 0.00 2 A 8.39 5.19 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 3 M 9.31 5.02 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 4 E 9.13 5.11 0.00 1.94 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 5 A 9.03 4.79 1.29 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 0.00 0.00 0.00 6 I 9.17 4.37 1.52 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 1.29 0.74 0.83 0.00 0.00 7 Y 7.84 4.99 0.00 2.66 2.68 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 8 A 8.91 4.70 1.34 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 0.00 0.00 9 Y 9.22 4.86 0.00 2.68 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 10 E 7.97 4.66 0.00 1.85 1.57 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 2.10 2.20 0.00 11 A 8.44 4.33 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 12 Q 9.14 4.46 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 13 G 7.28 4.04 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 0.00 0.00 0.00 14 D 8.62 4.53 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.69 0.00 2.62 2.62 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 16 E 7.92 5.51 0.00 2.09 2.13 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 2.07 2.10 0.00 17 I 8.52 4.69 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.83 1.05 0.00 0.00 18 S 8.68 4.89 0.00 3.80 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 19 I 8.89 4.94 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.88 0.82 0.00 0.00 20 D 9.36 5.34 0.00 2.56 2.57 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 0.00 21 P 0.00 4.41 0.00 2.01 1.94 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 22 G 9.10 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 0.00 0.00 0.00 23 D 7.91 4.48 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 4.75 1.83 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 0.79 0.88 0.00 0.00 25 I 8.59 4.52 1.40 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.45 0.42 0.00 0.00 26 T 8.69 4.38 4.21 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 1.21 0.00 0.00 27 V 8.69 4.14 2.23 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 0.81 0.00 0.00 1.07 0.00 0.00 28 I 8.92 4.37 2.01 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.69 1.14 0.00 0.00 29 R 7.93 4.57 0.00 1.94 1.88 0.00 3.19 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 30 G 8.88 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.94 4.82 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.57 4.71 0.00 2.80 2.75 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 33 G 8.79 4.01 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 0.00 0.00 0.00 34 S 8.31 4.18 0.00 4.17 4.16 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 0.00 0.00 0.00 0.00 35 G 8.47 3.78 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 0.00 0.00 0.00 36 W 7.85 5.01 0.00 3.19 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 37 T 8.21 4.57 2.74 0.00 0.00 0.00 0.00 0.00 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 38 Y 8.71 5.01 0.00 3.08 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 39 G 8.28 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 40 E 8.83 5.05 0.00 1.91 1.70 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 2.14 2.22 0.00 41 C 8.85 4.85 0.00 2.75 2.64 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 42 D 9.90 4.45 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 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 0.00 0.00 0.00 44 L 7.82 4.80 0.00 1.69 1.56 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.85 4.82 0.00 1.67 1.72 0.00 1.92 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.39 7.81 46 G 7.83 4.17 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 0.00 0.00 0.00 47 L 8.49 5.32 0.00 1.66 1.75 0.70 1.11 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 48 F 9.07 5.56 0.00 3.08 3.14 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 49 P 0.00 3.69 0.00 1.36 0.63 0.00 3.49 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.44 0.00 50 T 8.21 3.78 4.11 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 1.17 0.00 0.00 51 S 7.80 4.36 0.00 3.97 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 52 Y 8.39 4.50 0.00 3.25 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 53 C 8.17 5.42 0.00 3.22 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 54 K 9.15 4.22 0.00 1.83 1.85 0.00 1.33 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.34 7.81