NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.6568 8.3544 109.7341 47.0447 0.0000 171.4273 0 S 3.8672 9.2603 123.6033 57.4528 60.6859 165.0000 1 E 4.7317 8.1669 129.1302 54.0366 33.6173 174.0118 2 Q 4.3005 8.6654 119.4903 56.9240 29.6966 176.2685 3 T 4.5965 9.1987 113.3853 62.4544 72.0173 172.8152 4 H 5.4430 8.0430 117.0442 54.4639 34.2193 171.9904 5 R 5.0796 8.8688 118.1317 54.9786 33.6193 174.1678 6 A 4.6509 8.9635 128.9291 52.0490 19.1581 177.6234 7 I 4.2701 8.6386 114.3564 60.4315 39.2512 175.6110 8 F 5.2068 7.5866 120.1114 55.3019 42.7896 174.5441 9 R 4.3486 8.8817 122.4676 56.5640 30.8522 175.4266 10 F 5.0431 9.5268 128.4669 56.6710 42.3696 173.5793 11 V 4.2955 8.0533 127.0421 60.2633 32.3108 173.7847 12 P 4.1436 0.0000 0.0000 63.0695 31.6904 176.4839 13 R 4.4379 9.0601 119.3534 55.9948 32.4989 175.9147 14 H 5.0140 8.0053 114.4331 53.2901 31.7825 174.0770 15 E 3.9242 9.0462 123.7686 59.4242 29.5009 177.5729 16 D 4.6219 8.0048 115.5407 53.8820 40.2080 175.5833 17 E 5.0925 8.0485 119.9829 56.1353 30.8792 175.6074 18 L 4.6925 8.9759 125.2426 53.3824 43.2661 175.8605 19 E 4.4100 8.9472 128.0242 56.3475 30.5606 175.7183 20 L 4.9518 9.2555 125.8834 53.0071 45.9317 175.2445 21 E 4.9824 9.2436 122.0154 53.9577 32.9071 175.9027 22 V 3.5888 8.4357 122.0739 65.0322 31.7910 175.4719 23 D 4.6077 9.0476 125.1141 54.5566 40.4985 173.3028 24 D 4.6587 7.8433 118.5624 53.6023 41.8308 173.9208 25 P 4.8083 0.0000 0.0000 62.7490 32.3215 175.5801 26 L 5.1201 9.0263 122.8641 52.8167 46.1036 175.4966 27 L 4.9292 8.8228 124.0254 53.3412 44.0570 175.0179 28 V 4.2598 8.9967 127.5424 62.4764 31.4677 175.6234 29 E 4.3545 9.2480 128.6503 58.5536 30.4517 176.9016 30 L 4.4526 7.5694 119.4101 53.5785 45.8570 175.2028 31 Q 4.7343 8.2565 124.2048 53.0622 27.5714 174.7931 32 A 4.1232 8.4107 124.9067 51.8036 19.6492 179.0892 33 E 3.7513 8.8146 117.5783 59.2242 29.8582 177.5986 34 D 4.8220 8.0608 116.8063 53.3797 39.5940 175.4056 35 Y 3.4936 7.5930 115.6016 59.5889 35.7775 168.8558 36 W 4.9324 8.2732 117.7893 55.0905 32.9904 174.2256 37 Y 5.0362 8.5149 120.9484 56.4066 40.1780 174.4659 38 E 5.1365 8.7382 122.6331 54.8191 32.2687 175.1734 39 A 4.8202 9.0248 125.4898 51.7235 23.9057 173.6334 40 Y 5.0553 8.9749 116.1499 56.7385 40.5646 176.4966 41 N 4.6710 9.5787 123.4594 53.8541 41.3166 176.1506 43 R 3.1961 8.5649 113.5714 58.9249 31.1239 177.1372 44 T 4.1484 7.9953 108.1701 61.8829 69.3962 176.0013 45 G 3.9749 8.9823 110.1633 45.1705 0.0000 173.6709 46 A 4.3079 7.7457 122.5205 51.9473 19.0968 176.3737 47 R 4.8444 8.6283 118.9600 53.8223 33.2277 175.7147 48 G 3.9674 7.3267 109.3580 46.1417 0.0000 171.5948 49 V 5.6795 7.9277 111.7569 59.2293 35.2748 175.1091 50 F 5.0468 8.1463 115.4957 54.9881 41.3464 171.4790 51 P 3.4393 0.0000 0.0000 62.4037 31.4524 176.9635 52 A 2.5800 8.0549 128.4491 55.2693 18.1296 178.7519 53 Y 4.3762 7.5349 108.8808 59.6048 38.0479 175.9859 54 Y 4.3591 8.5262 117.9174 58.3627 38.3810 174.5389 55 A 5.2977 7.8335 121.1304 50.2223 22.8222 175.4940 56 I 4.6840 8.6659 112.9088 58.8567 41.2097 174.6849 57 E 4.5298 8.7271 122.1746 56.2106 30.3007 176.2867 58 V 4.3739 8.0575 122.9912 61.3082 33.6908 175.5230 59 T 4.1079 8.4388 124.2914 62.8014 68.8123 174.8901 60 K 4.0132 8.8622 125.1533 57.0739 32.0597 176.5446 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 8.35 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 9.26 3.87 0.00 4.03 4.10 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 1 E 8.17 4.73 0.00 1.90 1.80 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 2.17 2.25 0.00 2 Q 8.67 4.30 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 3 T 9.20 4.60 4.28 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 1.24 0.00 0.00 4 H 8.04 5.44 0.00 3.23 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.87 5.08 0.00 1.90 1.71 0.00 3.30 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 6 A 8.96 4.65 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 7 I 8.64 4.27 1.28 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 0.71 0.00 0.00 8 F 7.59 5.21 0.00 2.25 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 9 R 8.88 4.35 0.00 1.90 1.96 0.00 3.52 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 10 F 9.53 5.04 0.00 3.18 2.92 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 11 V 8.05 4.30 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 0.77 0.00 0.00 0.91 0.00 0.00 12 P 0.00 4.14 0.00 1.99 1.93 0.00 3.53 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 13 R 9.06 4.44 0.00 1.50 1.67 0.00 3.09 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 14 H 8.01 5.01 0.00 3.33 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.05 3.92 0.00 1.92 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 2.30 2.33 0.00 16 D 8.00 4.62 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.05 5.09 0.00 2.15 2.34 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 2.83 2.44 0.00 18 L 8.98 4.69 0.00 1.66 1.92 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.95 4.41 0.00 2.02 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 2.31 2.54 0.00 20 L 9.26 4.95 0.00 1.71 1.48 0.24 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.24 4.98 0.00 2.22 1.83 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 2.24 2.24 0.00 22 V 8.44 3.59 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 0.79 0.00 0.00 1.03 0.00 0.00 23 D 9.05 4.61 0.00 2.79 2.78 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 24 D 7.84 4.66 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.81 0.00 2.10 2.07 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 26 L 9.03 5.12 0.00 1.72 1.72 0.84 0.21 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 27 L 8.82 4.93 0.00 1.78 1.68 0.89 0.78 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 28 V 9.00 4.26 1.92 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 0.42 0.00 0.00 0.87 0.00 0.00 29 E 9.25 4.35 0.00 1.86 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 2.49 2.36 0.00 30 L 7.57 4.45 0.00 1.66 1.38 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.26 4.73 0.00 1.78 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 1.16 1.82 0.00 32 A 8.41 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.81 3.75 0.00 2.03 2.05 0.00 0.00 0.00 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 2.30 0.00 34 D 8.06 4.82 0.00 3.03 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 35 Y 7.59 3.49 0.00 3.20 3.01 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 36 W 8.27 4.93 0.00 3.30 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.51 5.04 0.00 1.43 2.20 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 38 E 8.74 5.14 0.00 1.85 1.80 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 2.22 2.19 0.00 39 A 9.02 4.82 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.97 5.06 0.00 3.01 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 41 N 9.58 4.67 0.00 2.80 2.79 0.00 0.00 6.73 8.09 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 43 R 8.56 3.20 0.00 1.91 2.18 0.00 3.29 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 44 T 8.00 4.15 4.28 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 1.24 0.00 0.00 45 G 8.98 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 46 A 7.75 4.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.63 4.84 0.00 1.19 1.55 0.00 3.00 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.00 48 G 7.33 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 49 V 7.93 5.68 2.33 0.00 0.00 0.00 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 1.00 0.00 0.00 50 F 8.15 5.05 0.00 2.43 3.13 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 0.00 0.00 0.00 51 P 0.00 3.44 0.00 1.37 1.40 0.00 2.20 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.70 0.00 52 A 8.05 2.58 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.53 4.38 0.00 3.09 3.09 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 54 Y 8.53 4.36 0.00 3.29 2.92 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 55 A 7.83 5.30 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.67 4.68 1.88 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 1.35 0.91 0.87 0.00 0.00 57 E 8.73 4.53 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 58 V 8.06 4.37 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 0.76 0.00 0.00 0.96 0.00 0.00 59 T 8.44 4.11 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 60 K 8.86 4.01 0.00 1.73 1.76 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81