NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1767 8.0327 115.2295 61.9582 69.2945 174.5661 2 V 3.4434 6.9137 126.6622 63.6484 32.2455 174.4991 3 L 4.6865 8.1310 120.9440 53.3886 44.1313 175.4707 4 H 4.6414 9.5430 124.1766 54.6943 30.9240 176.5130 5 V 3.6129 8.2881 122.1889 66.3955 31.6475 178.0784 6 Q 4.1054 8.0993 117.1665 59.1007 28.5462 178.1529 7 E 3.9611 8.3118 118.8077 60.0610 29.0058 179.7598 8 I 3.7676 7.8432 119.3682 64.1562 36.9656 178.0896 9 R 4.2112 7.8831 116.4876 57.4723 30.2847 176.7304 10 D 4.6363 7.5866 116.8495 54.6218 41.1166 176.3438 11 M 4.3993 7.3622 118.8343 54.5471 33.5620 175.2287 12 T 4.5402 7.9812 114.5688 60.1123 69.1761 173.8694 13 P 4.3486 0.0000 0.0000 66.0064 31.2677 178.6512 14 A 4.0376 7.9580 119.0159 55.0567 18.3145 179.3901 15 E 3.9109 8.7116 117.5759 59.4383 29.4649 179.7230 16 R 3.9326 7.9207 117.6222 59.5042 30.3698 178.8833 17 E 4.0011 8.0375 117.9135 59.0462 29.2945 179.4453 18 A 3.9539 8.1549 121.2218 55.2104 18.4906 179.2788 19 E 3.8913 8.8260 118.5911 59.2775 29.5856 178.5025 20 L 3.9166 8.4894 120.7372 58.4493 42.1565 178.6447 21 D 4.4686 8.0809 118.1826 57.3851 40.7204 179.0633 22 D 4.2934 7.8150 119.0957 57.3646 40.9430 178.6093 23 L 3.9870 8.0402 119.4761 57.8156 41.5773 179.5978 24 K 3.9291 8.4040 118.7593 60.0655 31.9491 179.5113 25 T 3.9243 7.7910 115.4994 66.2523 68.3420 176.5437 26 E 3.8787 8.2080 121.3413 59.1979 29.6991 178.4325 27 L 3.9112 8.3621 120.6465 58.2855 42.2414 178.6819 28 L 3.9450 8.2532 120.4127 58.3365 42.1266 178.5759 29 N 4.4912 8.4900 115.6259 55.3388 38.4101 177.4024 30 A 4.0032 7.8619 122.9962 55.2354 18.5354 179.8900 31 R 3.9076 8.2437 116.1060 58.7560 29.9711 179.2277 32 A 3.9750 7.7885 120.8364 55.0726 18.4254 179.8094 33 V 3.5613 7.6501 116.3539 66.0985 31.5386 178.0841 34 Q 3.9333 8.3032 119.3672 58.9146 28.7413 177.6960 35 A 4.1788 8.0926 120.4712 53.7221 18.3573 178.1681 36 A 4.7120 7.4886 118.4003 51.3490 20.1610 176.8653 37 G 3.9491 8.0003 106.5062 47.5620 0.0000 174.7330 38 G 3.6022 8.1321 108.3497 45.5982 0.0000 174.3145 39 A 4.2576 8.6220 127.9098 53.5659 19.2231 177.8427 40 P 4.4760 0.0000 0.0000 63.0126 30.5445 176.3259 41 E 4.2637 9.5794 118.4905 57.7788 30.7745 177.3633 42 N 4.8818 8.5670 112.4518 54.9317 40.5335 175.1744 43 P 4.2678 0.0000 0.0000 64.9579 32.3589 179.2296 44 G 3.4672 8.1451 104.9042 47.0897 0.0000 175.8284 45 R 4.0299 8.4341 120.8576 59.1011 28.9376 178.5551 46 I 3.6321 7.8107 117.6211 63.6936 37.6632 177.1453 47 K 4.3355 7.5532 119.8671 58.9324 32.2695 178.4186 48 E 4.0245 7.7982 118.5570 59.2082 29.4723 179.2087 49 L 4.1882 8.6677 119.5752 57.6330 41.5825 179.8587 50 R 3.9529 7.4865 116.9428 59.1243 30.0367 179.1505 51 K 3.9671 7.8960 117.7763 59.3206 31.9402 178.9585 52 A 3.9520 8.4931 121.3620 55.3659 18.2234 179.3515 53 I 3.5977 7.6922 116.9691 64.8105 37.2715 178.4350 54 A 3.9814 8.0436 121.1049 55.0787 18.0866 179.9122 55 R 3.8362 8.1376 116.6886 59.5139 30.2299 179.1577 56 I 3.6971 7.9871 119.8132 64.4678 37.1086 178.6638 57 K 3.9852 8.3117 119.3020 59.8126 32.0051 179.4458 58 T 3.8781 8.2914 116.3914 66.8186 68.3442 176.7503 59 I 3.9220 8.1864 121.9870 64.3991 37.0648 178.2257 60 Q 4.2614 8.2384 119.1095 59.0728 28.4464 179.6508 61 G 3.5300 8.0811 106.3622 47.8252 0.0000 175.4072 62 E 3.9704 7.7413 120.0564 59.3379 29.6851 179.3969 63 E 4.1805 8.5828 116.5993 57.6431 29.5361 178.1393 64 G 3.8960 6.9779 106.4883 45.1629 0.0000 173.2664 65 D 4.7704 8.0013 124.9856 54.4496 41.9899 175.6931 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 T 8.03 4.18 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 2 V 6.91 3.44 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 3 L 8.13 4.69 0.00 1.56 1.51 0.93 0.94 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 4 H 9.54 4.64 0.00 3.31 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.29 3.61 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 0.88 0.00 0.00 0.94 0.00 0.00 6 Q 8.10 4.11 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 7 E 8.31 3.96 0.00 2.15 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 2.42 2.47 0.00 8 I 7.84 3.77 2.03 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 1.53 1.28 0.91 0.00 0.00 9 R 7.88 4.21 0.00 1.95 1.98 0.00 3.29 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 10 D 7.59 4.64 0.00 2.78 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 11 M 7.36 4.40 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.47 0.00 12 T 7.98 4.54 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 1.31 0.00 0.00 13 P 0.00 4.35 0.00 2.19 2.01 0.00 3.65 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 2.12 2.20 0.00 14 A 7.96 4.04 1.31 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 0.00 0.00 0.00 15 E 8.71 3.91 0.00 2.14 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 2.33 2.35 0.00 16 R 7.92 3.93 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 17 E 8.04 4.00 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 18 A 8.15 3.95 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 19 E 8.83 3.89 0.00 2.13 2.18 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 2.31 2.36 0.00 20 L 8.49 3.92 0.00 1.93 1.81 0.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.08 4.47 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.29 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 3.99 0.00 1.84 1.71 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.40 3.93 0.00 1.92 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 25 T 7.79 3.92 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 26 E 8.21 3.88 0.00 2.04 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 2.30 2.32 0.00 27 L 8.36 3.91 0.00 1.81 1.90 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.25 3.95 0.00 1.94 1.79 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.49 4.49 0.00 2.92 2.85 0.00 0.00 6.92 7.61 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 30 A 7.86 4.00 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 31 R 8.24 3.91 0.00 2.01 1.99 0.00 3.12 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 32 A 7.79 3.97 1.37 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 0.00 0.00 0.00 33 V 7.65 3.56 2.25 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 1.06 0.00 0.00 0.96 0.00 0.00 34 Q 8.30 3.93 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 35 A 8.09 4.18 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 36 A 7.49 4.71 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 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 0.00 0.00 0.00 0.00 38 G 8.13 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.62 4.26 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 40 P 0.00 4.48 0.00 2.19 2.17 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 41 E 9.58 4.26 0.00 1.99 1.95 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 2.34 2.41 0.00 42 N 8.57 4.88 0.00 2.70 2.69 0.00 0.00 6.81 8.03 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 43 P 0.00 4.27 0.00 2.19 2.05 0.00 3.60 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 2.11 2.14 0.00 44 G 8.15 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.43 4.03 0.00 1.94 1.97 0.00 3.15 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 46 I 7.81 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 1.52 1.34 0.97 0.00 0.00 47 K 7.55 4.34 0.00 1.70 2.00 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.46 7.81 48 E 7.80 4.02 0.00 2.18 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 2.69 2.48 0.00 49 L 8.67 4.19 0.00 1.80 1.71 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.49 3.95 0.00 1.99 1.96 0.00 3.12 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 1.64 1.90 0.00 51 K 7.90 3.97 0.00 1.76 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 52 A 8.49 3.95 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 53 I 7.69 3.60 2.03 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 1.45 0.86 0.91 0.00 0.00 54 A 8.04 3.98 1.39 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 0.00 0.00 0.00 55 R 8.14 3.84 0.00 2.02 1.99 0.00 3.13 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 1.64 1.92 0.00 56 I 7.99 3.70 2.02 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 1.52 1.08 0.91 0.00 0.00 57 K 8.31 3.99 0.00 1.91 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 58 T 8.29 3.88 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 1.21 0.00 0.00 59 I 8.19 3.92 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 1.79 0.94 0.91 0.00 0.00 60 Q 8.24 4.26 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 61 G 8.08 3.53 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 0.00 0.00 0.00 62 E 7.74 3.97 0.00 2.14 2.04 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 2.35 2.67 0.00 63 E 8.58 4.18 0.00 1.88 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 2.60 2.47 0.00 64 G 6.98 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 65 D 8.00 4.77 0.00 2.71 2.93 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