NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.1753 8.1631 115.1790 61.9810 68.4943 172.2748 9 G 4.0504 7.6925 109.1730 42.1374 0.0000 170.3816 10 K 3.2599 9.1489 117.1726 60.1812 33.2208 175.0149 11 K 4.1656 8.1439 125.8777 56.3984 32.4001 173.9515 12 N 4.6458 8.7791 126.6435 52.6013 38.6989 175.8735 13 L 4.5087 8.1775 123.1481 56.3946 42.9573 175.4468 14 V 4.1108 8.0987 113.6380 59.7217 37.9318 173.4961 15 V 3.6353 8.6120 122.1058 62.1182 30.4520 176.4403 16 N 3.8794 8.5280 121.5397 54.6265 36.1642 172.4704 17 S 4.5000 7.9851 126.4552 57.7948 67.8203 172.0999 18 V 4.7854 8.1091 116.5973 60.7768 36.4535 174.3722 19 I 4.1835 8.3670 114.6000 61.3923 38.0101 175.5143 20 R 4.5524 8.5194 124.2865 54.8772 32.1110 174.8418 21 R 4.5845 8.6880 125.3616 55.1244 32.5848 176.6185 22 G 4.1102 8.3823 108.0641 44.9178 0.0000 171.9816 23 K 5.0849 8.7475 125.0343 55.1696 35.6491 174.6427 24 A 4.6609 8.4270 121.6535 50.9524 23.1436 177.0853 25 R 3.6807 8.5135 114.3189 56.5074 27.6596 176.0706 26 A 3.7316 7.7683 120.7521 52.6104 17.8443 173.6209 27 D 4.4113 8.9640 129.2929 54.4953 41.6141 173.8725 28 G 3.9088 8.2864 112.9757 44.4446 0.0000 170.8183 29 G 3.9170 8.6264 105.2147 46.0826 0.0000 174.5743 30 V 3.0030 8.1525 121.2512 63.8008 32.1009 172.5350 31 G 4.1549 8.2655 105.3308 45.2544 0.0000 171.5556 32 R 4.8150 8.3505 125.9294 55.7539 28.1925 178.3851 33 K 4.2566 9.3115 114.4398 56.0807 33.0418 176.5271 34 T 3.8219 6.5795 109.0513 62.5758 72.0182 170.1750 35 T 4.6459 8.1871 117.5202 61.9550 70.7161 173.8306 36 G 4.1108 8.6263 114.0176 45.3581 0.0000 172.2182 37 I 5.0343 8.2404 121.5130 59.5376 39.3432 175.5974 38 T 4.5835 9.2013 115.3232 60.1296 70.3930 174.8971 39 K 4.3878 8.1575 120.5406 56.0431 30.8379 176.6349 40 R 4.1278 10.0716 135.0000 57.4076 31.5653 173.9112 41 V 4.6088 8.2787 119.1993 60.6409 37.8062 175.9793 42 Q 5.3989 8.4930 131.9666 57.0669 31.9678 172.4672 43 R 4.7741 8.4690 124.2839 55.1101 34.9268 172.6253 44 A 4.8893 8.1547 120.2140 49.9711 23.0058 175.5946 45 N 4.5011 8.3696 114.7096 53.3734 41.8734 174.0931 46 L 4.5294 8.0140 128.7513 54.7841 44.8152 174.3181 47 H 4.6841 7.5441 124.4124 56.3452 37.6743 177.0140 48 K 4.8424 8.5427 133.5933 58.6815 35.2543 171.7064 49 K 4.6214 8.6562 116.0915 57.3961 34.4322 173.9775 50 A 4.3291 8.1563 121.6548 50.9863 21.6902 176.1762 51 I 4.5556 8.0590 121.2021 61.4612 37.5744 175.8166 52 R 4.7586 7.9355 126.2963 56.2791 34.3272 172.8768 53 E 4.7076 8.1273 116.2703 57.4343 33.2061 173.7892 54 N 4.5810 9.2188 115.2054 53.9458 42.2195 176.1885 55 G 3.9584 8.9683 112.7244 44.8946 0.0000 174.2447 56 Q 4.5557 8.0385 115.0623 56.3000 33.9322 172.3733 57 V 4.9077 7.8531 117.2698 63.3829 32.7058 176.7633 58 K 4.3586 10.5848 127.3672 56.4029 35.0643 174.7834 59 T 4.5149 8.9648 109.2195 64.1987 76.0836 174.9848 60 V 3.1267 7.6658 110.9319 61.0632 30.7495 173.3341 61 W 4.2750 8.4063 121.2185 56.9745 30.2008 176.5433 62 L 4.4921 8.3731 124.2077 54.1919 43.5424 174.9911 63 S 4.2707 9.0627 122.4752 58.5811 63.9613 174.8436 64 A 4.1777 8.8987 127.1982 55.6963 18.6999 178.7306 65 N 4.4127 8.2322 110.3421 54.6850 39.2480 175.5964 66 A 4.5639 9.1330 121.7866 52.6677 21.5054 178.4797 67 L 4.3860 7.6896 116.4577 57.6247 41.8518 179.0568 68 R 3.9031 8.6739 119.4393 60.1457 30.5047 177.7660 69 T 3.9392 8.0613 114.8919 66.5448 68.1862 175.6093 70 L 4.1470 8.6472 123.5041 58.7170 42.2822 179.1223 71 S 4.2986 7.6234 112.3666 59.7872 62.8829 175.6536 72 K 3.9330 8.6202 121.0205 57.3923 30.0884 179.2161 73 G 3.7496 9.1187 111.0236 44.3813 0.0000 171.9807 74 P 4.4388 0.0000 0.0000 62.2560 32.9947 176.0161 75 Y 4.6793 8.4771 116.6200 56.7029 38.0397 173.7960 76 K 4.4137 8.4780 120.0563 56.1111 30.4852 177.8221 77 G 4.0912 7.6391 104.0044 45.0299 0.0000 173.0272 78 I 4.5132 8.4824 124.7979 58.8701 40.2723 175.3394 79 E 4.2540 8.6925 126.9577 56.7427 28.9765 176.8065 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 8 T 8.16 4.18 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 1.03 0.00 0.00 9 G 7.69 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.15 3.26 0.00 1.77 1.75 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.55 7.81 11 K 8.14 4.17 0.00 1.77 1.74 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.48 7.81 12 N 8.78 4.65 0.00 2.91 2.88 0.00 0.00 6.69 6.74 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 13 L 8.18 4.51 0.00 1.54 1.55 0.86 0.91 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 14 V 8.10 4.11 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 0.47 0.00 0.00 0.71 0.00 0.00 15 V 8.61 3.64 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 0.75 0.00 0.00 0.88 0.00 0.00 16 N 8.53 3.88 0.00 2.77 3.10 0.00 0.00 6.51 7.57 0.00 0.00 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 S 7.99 4.50 0.00 3.83 3.58 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 18 V 8.11 4.79 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 0.74 0.00 0.00 0.92 0.00 0.00 19 I 8.37 4.18 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 1.22 0.52 0.99 0.00 0.00 20 R 8.52 4.55 0.00 1.87 1.80 0.00 3.16 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 21 R 8.69 4.58 0.00 1.73 1.83 0.00 3.21 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 22 G 8.38 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 0.00 0.00 0.00 23 K 8.75 5.08 0.00 2.00 1.81 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.42 7.81 24 A 8.43 4.66 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 25 R 8.51 3.68 0.00 1.99 2.09 0.00 3.25 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 26 A 7.77 3.73 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 27 D 8.96 4.41 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 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 30 V 8.15 3.00 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 0.77 0.00 0.00 0.93 0.00 0.00 31 G 8.27 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 32 R 8.35 4.81 0.00 1.93 1.04 0.00 3.39 0.00 0.00 3.33 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 33 K 9.31 4.26 0.00 1.76 1.89 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.35 7.81 34 T 6.58 3.82 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 35 T 8.19 4.65 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 36 G 8.63 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 0.00 0.00 0.00 37 I 8.24 5.03 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 0.72 0.91 0.00 0.00 38 T 9.20 4.58 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 39 K 8.16 4.39 0.00 1.80 1.24 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.55 7.81 40 R 10.07 4.13 0.00 1.95 2.12 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 41 V 8.28 4.61 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 0.67 0.00 0.00 0.99 0.00 0.00 42 Q 8.49 5.40 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.75 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 43 R 8.47 4.77 0.00 1.80 1.78 0.00 3.15 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 44 A 8.15 4.89 1.16 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 45 N 8.37 4.50 0.00 2.61 2.70 0.00 0.00 6.77 6.74 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 46 L 8.01 4.53 0.00 1.47 1.34 0.84 0.98 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 47 H 7.54 4.68 0.00 3.07 2.30 0.00 5.74 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.54 4.84 0.00 1.90 1.75 0.00 1.80 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.49 7.81 49 K 8.66 4.62 0.00 1.66 2.20 0.00 1.07 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 0.30 0.75 7.81 50 A 8.16 4.33 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.06 4.56 1.82 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 1.27 0.89 0.92 0.00 0.00 52 R 7.94 4.76 0.00 1.63 2.08 0.00 3.32 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 53 E 8.13 4.71 0.00 2.08 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 2.15 2.20 0.00 54 N 9.22 4.58 0.00 2.71 2.64 0.00 0.00 7.55 7.60 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 55 G 8.97 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 56 Q 8.04 4.56 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.94 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 57 V 7.85 4.91 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 0.94 0.00 0.00 0.96 0.00 0.00 58 K 10.58 4.36 0.00 1.90 1.58 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.38 7.81 59 T 8.96 4.51 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 1.17 0.00 0.00 60 V 7.67 3.13 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 0.72 0.00 0.00 0.97 0.00 0.00 61 W 8.41 4.28 0.00 3.18 3.19 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 62 L 8.37 4.49 0.00 1.78 1.59 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.06 4.27 0.00 3.95 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 64 A 8.90 4.18 1.34 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 0.00 0.00 0.00 0.00 0.00 65 N 8.23 4.41 0.00 2.70 2.90 0.00 0.00 6.60 7.35 0.00 0.00 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 A 9.13 4.56 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 67 L 7.69 4.39 0.00 1.76 1.71 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.67 3.90 0.00 1.85 2.00 0.00 3.35 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 69 T 8.06 3.94 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 70 L 8.65 4.15 0.00 1.90 2.20 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.62 4.30 0.00 4.07 4.40 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 72 K 8.62 3.93 0.00 1.84 1.56 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.79 1.57 7.81 73 G 9.12 3.75 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 0.00 0.00 0.00 74 P 0.00 4.44 0.00 2.18 1.99 0.00 3.52 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 75 Y 8.48 4.68 0.00 2.96 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 76 K 8.48 4.41 0.00 1.85 2.35 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.43 7.81 77 G 7.64 4.09 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 0.00 0.00 0.00 78 I 8.48 4.51 1.86 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 1.66 0.95 0.00 0.00 79 E 8.69 4.25 0.00 1.89 1.85 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 2.37 2.33 0.00