NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4460 0.0000 0.0000 62.3691 33.0706 175.2137 4 R 4.4746 7.8699 114.8852 52.6682 32.3207 173.6188 5 P 4.1767 0.0000 0.0000 66.1372 32.2747 179.8703 6 L 3.8257 7.9140 116.7595 57.8386 41.4002 179.2003 7 D 4.3821 8.1975 118.9086 57.0524 40.5138 178.6929 8 V 3.6092 7.3849 117.3655 65.2073 32.0939 177.7259 9 L 3.9895 7.4075 118.7120 57.5726 41.5752 178.4647 10 N 4.4692 7.8226 117.0143 56.2424 38.6209 176.1991 11 R 4.4314 7.7678 117.6172 56.6044 30.2397 176.2607 12 S 4.6235 7.8952 108.2160 57.2640 64.1866 173.5186 13 L 4.3883 7.2882 118.0323 56.7526 41.6729 177.0631 14 K 3.9687 9.5582 122.1550 57.4208 30.1797 175.5240 15 S 5.0180 7.6994 113.6054 55.7139 67.4463 171.5778 16 P 5.0423 0.0000 0.0000 63.0880 32.5350 175.6548 17 V 5.0211 9.0820 115.3016 59.9024 36.8333 174.0180 18 I 4.8024 9.1805 124.6234 59.6511 39.6331 174.8004 19 V 4.5196 8.8293 127.1756 60.8460 34.4690 173.8928 20 R 4.7762 7.5688 127.7983 54.6646 32.2184 175.6130 21 L 5.5582 8.4887 126.6803 52.5787 44.4489 176.0108 22 K 4.1734 8.3820 119.4643 57.9218 32.4499 177.8918 23 G 3.9639 8.7956 110.7510 45.0475 0.0000 172.8037 24 G 4.1170 7.9709 106.6515 45.2021 0.0000 174.3529 25 R 4.0728 7.7572 118.4603 56.6142 31.2931 174.9316 26 E 5.2300 9.4400 124.7071 54.6560 33.8091 174.0157 27 F 5.1581 9.6416 122.1409 55.7785 43.7859 174.0916 28 R 5.0256 8.7108 120.2048 54.5451 34.0889 175.1527 29 G 4.0560 8.1359 108.8713 46.7330 0.0000 171.4408 30 T 4.9832 7.9606 117.1647 61.8049 69.9001 174.4122 31 L 4.2600 8.7943 129.9462 56.0224 42.6423 176.3639 32 D 4.8771 8.9199 125.8242 53.2841 42.1980 175.8419 33 G 4.2033 7.6297 105.0695 47.4117 0.0000 171.4189 34 Y 5.9020 7.9773 117.1940 57.6051 40.8155 172.3038 35 D 4.7486 8.3950 118.3476 51.6744 42.8600 175.9196 36 I 3.6813 8.6564 119.3833 65.2077 36.7173 177.5852 37 H 4.3137 8.0482 115.5541 57.4945 28.4082 176.3900 38 M 3.3288 8.8184 119.1472 55.6267 29.8299 175.9922 39 N 4.8185 8.4062 116.1337 53.4641 40.0257 174.2934 40 L 5.3583 8.9752 121.4474 52.9633 46.3673 175.8218 41 V 4.7738 8.4632 120.1333 61.3964 34.4628 174.1046 42 L 5.1912 8.5558 128.0304 52.9984 44.5519 175.5826 43 L 4.8632 8.5739 122.4087 53.2021 44.6421 175.9461 44 D 4.5495 8.4076 119.9851 55.4046 39.3999 172.3845 45 A 5.2086 7.7034 119.8817 50.7545 22.1092 177.7429 46 E 4.5705 9.2099 117.0248 54.4779 33.1042 174.2583 47 E 3.6174 8.4387 124.8485 55.0190 31.0436 174.8591 48 I 4.8251 8.5875 127.7150 59.7550 40.5934 175.2318 49 Q 4.3576 8.4470 124.2811 55.2506 31.6843 172.8792 50 N 3.9660 9.6885 124.3482 53.2836 34.8823 173.8466 51 G 4.1494 8.5280 114.0104 44.8150 0.0000 170.8261 52 E 4.6409 7.3554 118.0845 52.5111 33.0461 174.9047 53 V 4.0966 8.1440 120.1630 63.6616 31.7376 175.3294 54 V 4.4873 8.2189 120.9748 62.8341 34.0749 174.6286 55 R 4.3255 7.5821 114.7915 56.3933 32.3461 174.2608 56 K 4.4892 8.5693 118.0737 55.9827 33.9825 176.1420 57 V 4.1504 8.1324 117.7238 60.6140 34.0144 177.8965 58 G 3.9716 8.9642 112.2625 47.5199 0.0000 175.9347 59 S 5.3566 9.2732 111.7768 57.7272 65.4079 175.8532 60 V 4.1658 8.0148 121.2796 61.6900 34.1564 173.6843 61 V 4.3100 8.3735 129.2542 62.4091 32.1272 174.9568 62 I 4.4063 8.5411 129.5751 59.1924 39.7302 175.7756 63 R 4.4452 8.4915 125.9311 55.8463 30.8507 177.8239 64 G 3.8025 9.3114 111.8362 47.5057 0.0000 174.9242 65 D 4.3455 8.2835 118.6920 57.3499 41.2553 177.6523 66 T 4.1883 7.7278 107.0318 62.3755 69.5150 174.5914 67 V 4.0832 7.7321 123.9175 62.9264 32.0385 175.5428 68 V 4.1812 8.8656 128.4562 64.6806 32.7046 175.4607 69 F 4.7183 6.9498 112.9637 56.4869 40.2312 172.9637 70 V 4.9570 8.6311 118.5903 61.4790 34.7078 174.5159 71 S 4.9274 8.8874 119.3753 56.3326 66.5058 171.9524 72 P 4.8891 0.0000 0.0000 62.9118 32.2176 175.9590 73 A 4.3645 8.3775 122.6600 52.2645 18.4569 177.2013 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 P 0.00 4.45 0.00 2.05 2.06 0.00 3.58 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 1.92 2.07 0.00 4 R 7.87 4.47 0.00 1.96 1.97 0.00 3.17 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 5 P 0.00 4.18 0.00 2.15 2.16 0.00 3.59 0.00 0.00 3.75 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 6 L 7.91 3.83 0.00 1.63 1.69 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.20 4.38 0.00 2.85 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 8 V 7.38 3.61 2.15 0.00 0.00 0.00 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 0.91 0.00 0.00 9 L 7.41 3.99 0.00 1.26 0.78 0.61 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.82 4.47 0.00 2.94 2.99 0.00 0.00 6.84 7.68 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 11 R 7.77 4.43 0.00 1.94 1.98 0.00 3.25 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 12 S 7.90 4.62 0.00 3.97 3.71 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 13 L 7.29 4.39 0.00 1.78 1.65 1.12 1.05 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 14 K 9.56 3.97 0.00 1.86 1.95 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.42 7.81 15 S 7.70 5.02 0.00 3.96 3.72 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 16 P 0.00 5.04 0.00 2.13 2.19 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 17 V 9.08 5.02 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 1.00 0.00 0.00 1.03 0.00 0.00 18 I 9.18 4.80 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.02 0.97 0.00 0.00 19 V 8.83 4.52 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 0.81 0.00 0.00 0.87 0.00 0.00 20 R 7.57 4.78 0.00 1.77 1.06 0.00 3.54 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 21 L 8.49 5.56 0.00 1.67 1.66 1.01 0.74 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 22 K 8.38 4.17 0.00 1.76 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 23 G 8.80 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 0.00 0.00 0.00 24 G 7.97 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 25 R 7.76 4.07 0.00 1.94 1.92 0.00 3.27 0.00 0.00 3.58 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 26 E 9.44 5.23 0.00 1.98 1.68 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 2.28 2.26 0.00 27 F 9.64 5.16 0.00 2.91 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 28 R 8.71 5.03 0.00 1.72 1.79 0.00 3.18 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 29 G 8.14 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.96 4.98 4.26 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 1.27 0.00 0.00 31 L 8.79 4.26 0.00 1.81 1.80 1.08 0.90 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 32 D 8.92 4.88 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.20 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 0.00 34 Y 7.98 5.90 0.00 2.91 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 35 D 8.39 4.75 0.00 2.85 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 36 I 8.66 3.68 1.71 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 1.38 0.40 0.84 0.00 0.00 37 H 8.05 4.31 0.00 3.35 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.82 3.33 0.00 2.19 2.34 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 2.49 2.49 0.00 39 N 8.41 4.82 0.00 2.94 2.73 0.00 0.00 6.81 6.88 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 40 L 8.98 5.36 0.00 1.46 1.50 0.86 0.68 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 41 V 8.46 4.77 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 1.04 0.00 0.00 0.91 0.00 0.00 42 L 8.56 5.19 0.00 1.66 1.57 0.97 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.57 4.86 0.00 1.60 1.55 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.41 4.55 0.00 2.78 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 45 A 7.70 5.21 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 46 E 9.21 4.57 0.00 1.87 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 2.15 2.14 0.00 47 E 8.44 3.62 0.00 1.21 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.50 0.00 48 I 8.59 4.83 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.36 0.87 0.00 0.00 49 Q 8.45 4.36 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.40 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 50 N 9.69 3.97 0.00 2.87 2.87 0.00 0.00 7.26 7.65 0.00 0.00 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 8.53 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.36 4.64 0.00 1.94 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 53 V 8.14 4.10 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 0.82 0.00 0.00 0.94 0.00 0.00 54 V 8.22 4.49 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 0.84 0.00 0.00 0.98 0.00 0.00 55 R 7.58 4.33 0.00 1.84 1.95 0.00 3.09 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 56 K 8.57 4.49 0.00 1.60 1.74 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.43 7.81 57 V 8.13 4.15 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 0.72 0.00 0.00 1.07 0.00 0.00 58 G 8.96 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 59 S 9.27 5.36 0.00 3.89 3.88 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 60 V 8.01 4.17 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 0.51 0.00 0.00 1.13 0.00 0.00 61 V 8.37 4.31 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 0.80 0.00 0.00 0.90 0.00 0.00 62 I 8.54 4.41 1.70 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.45 0.75 0.00 0.00 63 R 8.49 4.45 0.00 1.80 1.82 0.00 3.27 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 64 G 9.31 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.28 4.35 0.00 2.63 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 66 T 7.73 4.19 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 67 V 7.73 4.08 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 0.67 0.00 0.00 0.92 0.00 0.00 68 V 8.87 4.18 2.26 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 1.03 0.00 0.00 1.01 0.00 0.00 69 F 6.95 4.72 0.00 3.17 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 70 V 8.63 4.96 2.09 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 0.85 0.00 0.00 0.87 0.00 0.00 71 S 8.89 4.93 0.00 4.00 4.14 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 72 P 0.00 4.89 0.00 2.11 2.11 0.00 3.79 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 2.01 1.99 0.00 73 A 8.38 4.36 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