NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8516 8.1976 109.7376 46.4094 0.0000 174.4473 4 I 2.4500 8.0316 115.9426 61.2848 38.1677 172.8504 5 R 4.3200 9.4766 124.9761 55.3443 31.2957 177.3322 6 E 4.3472 8.5514 126.4877 55.8762 31.4811 176.4889 7 K 4.4598 8.4450 121.0635 55.8492 32.5008 177.1868 8 I 4.3957 8.8105 127.6135 60.6662 39.3937 175.6793 9 K 4.7338 8.2586 122.1665 56.2862 34.6139 175.3044 10 L 5.0600 8.8606 125.7812 53.7269 43.6178 175.9005 11 V 4.7615 8.5527 123.2566 60.8724 34.0908 174.8549 12 S 2.7900 8.4190 122.5255 57.9121 62.2603 174.3739 13 S 4.3013 8.1920 120.8942 60.4246 63.1560 174.6628 14 A 4.1673 7.7466 123.5654 51.4130 18.7854 178.3486 15 G 3.9248 8.6931 108.8757 48.5471 0.0000 174.5675 16 T 3.8655 6.9302 109.3092 62.0119 68.9941 173.6410 17 G 4.0037 8.5002 110.9840 45.8231 0.0000 173.3291 18 H 4.6574 8.4299 121.4297 56.2477 31.1063 174.3102 19 F 5.6091 7.4656 118.0116 56.5346 40.7633 173.6244 20 Y 4.1930 8.8058 120.3510 57.8989 39.8225 174.0780 21 T 4.9464 8.2271 114.2710 61.4383 70.3968 172.7191 22 T 4.6369 8.4499 123.2394 62.0248 71.0817 171.8403 23 T 5.3488 8.4222 108.9357 60.9000 72.0565 172.8898 24 K 4.5021 8.5910 120.2455 56.0103 36.6813 174.9648 25 N 4.7754 8.7604 119.7418 52.0368 37.7796 174.8775 26 K 3.8344 8.6372 127.3293 59.5110 32.2010 177.6175 27 R 4.1778 7.7558 118.0298 58.9035 30.5548 178.1048 28 T 4.0462 7.5426 104.8147 62.3455 68.9019 176.0541 29 K 4.6743 7.5500 119.1527 55.9134 34.7612 173.7064 30 P 4.5130 0.0000 0.0000 65.0107 32.3780 178.2039 31 E 3.9412 8.0298 116.6460 55.7221 29.8127 176.4570 32 K 4.4885 8.8328 121.7091 55.6148 32.0093 176.7934 33 L 4.1419 8.4756 125.3925 55.8330 40.9033 176.2910 34 E 5.1167 8.2094 121.5108 54.6729 33.3795 174.8341 35 L 4.4827 8.3650 120.0700 54.7404 44.1968 173.9523 36 K 4.7245 8.7759 120.5642 56.9914 33.0106 176.4109 37 K 4.5228 9.2382 122.6997 55.2237 37.2107 174.0210 38 F 4.8589 8.0072 122.6401 57.1741 40.5328 174.9454 39 D 4.8671 8.7529 127.2000 51.2986 41.5358 175.3290 40 P 4.1890 0.0000 0.0000 65.3710 31.6809 177.9586 41 V 3.8078 7.6293 110.5823 62.5773 31.8618 176.6581 42 V 4.0946 7.3974 117.4839 62.6674 31.9904 176.1738 43 R 3.4528 7.4796 115.5440 56.2965 27.2866 174.9243 44 Q 4.7820 7.0965 118.1311 54.8618 34.4097 174.6501 45 H 5.1660 8.8796 117.8647 55.4584 29.8419 175.1609 46 V 4.6149 9.2439 122.0174 60.9665 36.0583 173.9392 47 I 4.1423 8.4285 124.7917 61.9403 37.7502 174.5725 48 Y 4.9931 8.8961 124.4535 56.3952 40.7083 174.9648 49 K 5.0602 8.3042 125.1031 55.9924 36.0918 169.8094 50 E 3.9631 9.0725 126.4760 55.8245 31.3891 175.1989 51 A 4.7073 8.5197 126.7841 52.8814 20.7661 176.2839 52 K 4.1721 8.1501 124.9800 56.6442 32.3528 176.0504 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 G 8.20 3.85 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 0.00 0.00 0.00 4 I 8.03 2.45 1.87 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 1.30 0.65 0.91 0.00 0.00 5 R 9.48 4.32 0.00 1.72 1.90 0.00 3.26 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 6 E 8.55 4.35 0.00 1.97 1.86 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 2.33 2.30 0.00 7 K 8.44 4.46 0.00 1.66 1.81 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 8 I 8.81 4.40 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.72 0.96 0.00 0.00 9 K 8.26 4.73 0.00 1.79 1.84 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.38 7.81 10 L 8.86 5.06 0.00 1.84 1.85 0.90 0.84 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 11 V 8.55 4.76 2.10 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 0.93 0.00 0.00 0.95 0.00 0.00 12 S 8.42 2.79 0.00 3.61 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 13 S 8.19 4.30 0.00 3.86 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 0.00 14 A 7.75 4.17 1.21 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 0.00 0.00 15 G 8.69 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 16 T 6.93 3.87 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 1.30 0.00 0.00 17 G 8.50 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 0.00 0.00 0.00 18 H 8.43 4.66 0.00 3.24 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.47 5.61 0.00 3.45 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 20 Y 8.81 4.19 0.00 2.72 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 21 T 8.23 4.95 4.38 0.00 0.00 0.00 0.00 0.00 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 22 T 8.45 4.64 4.27 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 1.24 0.00 0.00 23 T 8.42 5.35 4.37 0.00 0.00 0.00 0.00 0.00 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 24 K 8.59 4.50 0.00 1.86 1.92 0.00 1.37 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 25 N 8.76 4.78 0.00 2.75 2.78 0.00 0.00 6.45 6.75 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 26 K 8.64 3.83 0.00 1.88 1.88 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.57 7.81 27 R 7.76 4.18 0.00 1.87 1.88 0.00 3.18 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 28 T 7.54 4.05 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 29 K 7.55 4.67 0.00 1.91 1.75 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.50 7.81 30 P 0.00 4.51 0.00 2.18 2.18 0.00 3.78 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 31 E 8.03 3.94 0.00 2.10 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 0.00 2.28 2.29 0.00 32 K 8.83 4.49 0.00 1.78 1.85 0.00 1.81 0.00 0.00 1.34 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.40 7.81 33 L 8.48 4.14 0.00 1.74 1.70 0.94 0.63 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 34 E 8.21 5.12 0.00 1.85 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 2.22 2.46 0.00 35 L 8.36 4.48 0.00 1.69 1.71 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.78 4.72 0.00 1.73 1.90 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.52 7.81 37 K 9.24 4.52 0.00 0.83 0.82 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.28 7.81 38 F 8.01 4.86 0.00 2.84 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 39 D 8.75 4.87 0.00 2.89 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 40 P 0.00 4.19 0.00 2.15 2.15 0.00 3.33 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 41 V 7.63 3.81 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.95 0.00 0.00 42 V 7.40 4.09 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 0.74 0.00 0.00 0.89 0.00 0.00 43 R 7.48 3.45 0.00 1.95 2.36 0.00 3.31 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 44 Q 7.10 4.78 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 45 H 8.88 5.17 0.00 3.12 3.36 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.24 4.61 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 0.98 0.00 0.00 0.96 0.00 0.00 47 I 8.43 4.14 1.86 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 1.36 0.62 0.94 0.00 0.00 48 Y 8.90 4.99 0.00 3.08 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 49 K 8.30 5.06 0.00 1.81 1.66 0.00 1.76 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.47 7.81 50 E 9.07 3.96 0.00 2.13 1.97 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 2.28 2.44 0.00 51 A 8.52 4.71 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 52 K 8.15 4.17 0.00 1.90 1.78 0.00 1.95 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.45 7.81