NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4848 0.0000 0.0000 62.3663 33.6465 174.9538 2 I 4.8455 8.2664 122.6137 59.1527 40.0885 173.0039 3 A 4.7909 9.4950 129.9758 49.9844 22.2485 174.4703 4 Q 4.8826 8.6609 122.3661 54.3791 31.5813 174.3818 5 I 4.4633 8.8623 127.9858 59.8587 39.8922 174.3136 6 H 5.2502 8.8000 124.4458 54.3100 29.8157 174.3300 7 I 4.6440 8.2540 116.4684 58.6113 41.2945 174.9070 8 L 4.6702 8.3318 123.0674 54.3350 42.2584 176.9528 9 E 4.5074 8.0405 120.5872 56.5986 29.9542 176.0379 10 G 3.5884 8.7729 109.0558 45.6102 0.0000 174.5963 11 R 4.3126 7.6322 119.3949 55.2703 31.4112 176.7780 12 S 4.5126 8.1989 115.5664 57.8392 65.5080 175.2076 13 D 4.3866 8.5054 121.6010 57.3576 40.4843 178.9541 14 E 3.9440 8.0840 118.6821 59.5826 29.5600 179.0868 15 Q 4.0175 7.7645 118.0970 59.1327 28.7773 179.3400 16 K 3.9974 7.9436 118.9424 59.2331 31.9049 179.1101 17 E 3.9835 8.1915 119.8565 59.3713 29.4482 179.0322 18 T 3.9302 7.9487 116.0507 66.1933 68.5149 176.5403 19 L 3.9314 8.0671 122.3939 58.3723 42.2030 179.1499 20 I 3.6824 7.7317 119.6709 64.2242 36.9841 178.5223 21 R 3.8883 7.7726 119.6057 59.3601 30.0537 178.2408 22 E 3.9505 8.4516 118.8078 59.6092 29.5123 179.6783 23 V 3.6313 7.9801 118.1987 66.0359 31.5492 178.2509 24 S 4.1630 7.9864 114.5679 61.4173 62.5431 176.6028 25 E 3.8958 8.3655 121.1008 59.3415 29.2489 178.9004 26 A 3.9698 7.9831 120.7741 55.4461 18.4380 179.8304 27 I 3.6316 7.7831 117.9494 64.6046 37.2746 178.6348 28 S 4.0826 8.0437 114.0105 61.2430 62.0462 176.1034 29 R 3.8357 8.6942 121.7521 59.6953 29.7106 178.5531 30 S 4.1042 8.0074 113.5620 61.2484 62.9053 175.5159 31 L 4.4044 7.7609 116.4619 53.6475 41.9932 175.6080 32 D 4.3363 7.4771 117.1808 55.2632 40.0693 172.8661 33 A 4.7788 7.4728 118.5755 48.9060 21.5028 175.7901 34 P 4.2965 0.0000 0.0000 62.5865 32.0883 176.9326 35 L 3.8957 8.9246 124.9517 58.5056 41.9148 178.8202 36 T 4.0654 7.8772 106.3867 63.4310 68.7391 174.6799 37 S 4.4411 8.0223 116.3830 58.8376 63.8592 174.3830 38 V 4.0973 7.5694 122.5158 62.7695 32.2191 175.3647 39 R 4.7043 8.8526 126.1638 54.3334 33.3692 174.5572 40 V 4.8880 8.5000 122.9988 61.0612 34.6433 174.4727 41 I 4.5734 8.8204 127.8112 59.5993 40.2899 174.2854 42 I 4.7921 8.4030 127.5705 59.9912 39.2849 175.3246 43 T 4.5083 8.6741 122.6621 61.8021 71.8237 173.0832 44 E 4.7994 8.7714 126.3304 55.9980 31.5864 175.4136 45 M 4.9041 8.7794 122.5921 53.1925 35.1997 175.6888 46 A 4.5425 8.5571 125.5315 51.7192 19.3206 178.6408 47 K 3.9804 8.5780 120.6597 59.1408 32.2614 178.3721 48 G 4.0816 7.9935 105.4285 45.6055 0.0000 173.4616 49 H 4.9625 8.5892 114.6536 54.8946 29.8483 173.4038 50 F 5.0718 8.1864 122.5910 56.2706 41.4510 173.7121 51 G 4.1585 8.3690 116.3293 43.5280 0.0000 172.1950 52 I 4.1146 8.1866 122.5079 60.0072 39.7550 176.1158 53 G 3.9010 9.5533 113.6382 46.5083 0.0000 174.0305 54 G 3.9307 8.7788 105.6497 44.9066 0.0000 173.7739 55 E 4.6883 7.6671 117.8321 53.6409 33.2370 175.2800 56 L 4.3162 8.4428 121.3174 55.1560 42.6317 178.5674 57 A 4.0897 8.8674 125.6621 55.0901 18.7784 180.2374 58 S 4.1383 8.2140 109.8590 61.5784 62.9565 175.4476 59 K 4.3579 7.5775 116.2715 56.1838 32.0141 177.3351 60 V 4.0245 7.4799 124.3695 61.8647 31.4677 175.0849 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 P 0.00 4.48 0.00 2.09 2.03 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.27 4.85 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 1.27 0.72 0.90 0.00 0.00 3 A 9.50 4.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.66 4.88 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.64 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 5 I 8.86 4.46 1.83 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 1.21 0.56 0.88 0.00 0.00 6 H 8.80 5.25 0.00 2.91 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.25 4.64 1.82 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 1.17 1.17 0.86 0.00 0.00 8 L 8.33 4.67 0.00 1.53 1.63 1.01 1.01 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 9 E 8.04 4.51 0.00 1.97 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 0.00 2.30 2.11 0.00 10 G 8.77 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 4.31 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 12 S 8.20 4.51 0.00 4.05 3.99 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 0.00 0.00 0.00 0.00 13 D 8.51 4.39 0.00 2.78 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 14 E 8.08 3.94 0.00 2.05 1.99 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 0.00 2.40 2.46 0.00 15 Q 7.76 4.02 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 7.94 4.00 0.00 1.90 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.67 7.81 17 E 8.19 3.98 0.00 2.27 1.99 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 0.00 2.30 2.34 0.00 18 T 7.95 3.93 4.39 0.00 0.00 0.00 0.00 0.00 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 19 L 8.07 3.93 0.00 1.83 1.84 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.73 3.68 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.90 0.00 0.00 21 R 7.77 3.89 0.00 1.83 1.90 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.45 3.95 0.00 2.02 1.98 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 2.47 2.46 0.00 23 V 7.98 3.63 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 1.02 0.00 0.00 0.95 0.00 0.00 24 S 7.99 4.16 0.00 4.15 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 3.90 0.00 2.09 1.99 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 0.00 2.49 2.47 0.00 26 A 7.98 3.97 1.38 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 0.00 0.00 0.00 27 I 7.78 3.63 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 1.40 1.11 0.91 0.00 0.00 28 S 8.04 4.08 0.00 3.90 4.08 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 0.00 0.00 0.00 0.00 29 R 8.69 3.84 0.00 2.11 1.90 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 8.01 4.10 0.00 3.94 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 31 L 7.76 4.40 0.00 1.66 1.69 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.48 4.34 0.00 2.74 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 33 A 7.47 4.78 1.23 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 0.00 0.00 0.00 34 P 0.00 4.30 0.00 2.23 2.21 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 35 L 8.92 3.90 0.00 1.74 1.73 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.88 4.07 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 37 S 8.02 4.44 0.00 3.97 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 38 V 7.57 4.10 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 0.75 0.00 0.00 0.93 0.00 0.00 39 R 8.85 4.70 0.00 1.81 1.76 0.00 3.16 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 40 V 8.50 4.89 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.82 4.57 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.87 0.00 0.00 42 I 8.40 4.79 1.84 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 1.31 0.52 0.87 0.00 0.00 43 T 8.67 4.51 3.95 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 1.21 0.00 0.00 44 E 8.77 4.80 0.00 1.91 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 2.35 2.31 0.00 45 M 8.78 4.90 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 46 A 8.56 4.54 1.11 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 0.00 0.00 47 K 8.58 3.98 0.00 1.82 1.95 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.46 7.81 48 G 7.99 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.59 4.96 0.00 3.30 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.19 5.07 0.00 2.97 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 51 G 8.37 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 0.00 0.00 0.00 52 I 8.19 4.11 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.22 0.82 0.00 0.00 53 G 9.55 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 0.00 0.00 0.00 54 G 8.78 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.67 4.69 0.00 1.94 1.75 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 2.18 2.21 0.00 56 L 8.44 4.32 0.00 1.69 1.61 0.93 0.92 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 57 A 8.87 4.09 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.21 4.14 0.00 4.00 4.18 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 59 K 7.58 4.36 0.00 1.80 1.87 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.37 7.81 60 V 7.48 4.02 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 0.65 0.00 0.00 0.91 0.00 0.00