NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3881 8.1627 120.6037 55.5007 34.1645 173.4453 2 Q 4.7188 8.3998 127.2152 52.8149 31.0760 172.6262 3 I 4.5879 9.0829 120.0511 59.0418 42.2562 173.4244 4 F 5.4627 9.0277 120.4488 55.6810 43.1135 174.6800 5 V 4.7826 8.9513 120.9200 61.2382 34.5722 174.2821 6 K 4.9763 9.1662 128.5889 55.5104 33.8788 177.3227 7 T 4.7617 8.8688 116.2738 60.2150 70.4201 175.4089 8 L 4.2058 8.3743 120.3903 56.7271 41.6126 178.0459 9 T 4.2695 7.7974 107.4829 61.2292 69.2559 175.6421 10 G 3.9338 7.9809 111.0748 44.9295 0.0000 173.7875 11 K 4.2281 7.5965 120.2817 56.5914 33.5781 175.5544 12 T 5.0930 8.4281 122.0223 61.9050 70.8487 173.4750 13 I 4.5722 9.0410 127.2546 59.9022 39.9287 174.5918 14 T 5.0722 8.5673 122.5830 61.9053 70.4424 173.7866 15 L 4.8289 8.6764 125.5352 52.7541 46.1056 174.9590 16 E 4.9064 8.6906 122.5178 54.7364 31.2459 175.1565 17 V 4.6898 9.1052 119.6697 59.9926 36.4094 174.2784 18 E 4.6616 9.3971 120.5118 54.1129 32.1308 175.9401 19 P 4.1315 0.0000 0.0000 66.1081 31.4731 178.1584 20 S 4.5478 7.8723 110.3343 58.3671 63.1063 173.9634 21 D 4.4611 8.0721 122.6775 54.4209 41.2995 176.4418 22 T 4.7320 8.1941 113.6759 61.1431 71.3907 175.9872 23 I 3.7449 8.4371 122.8669 64.4881 37.0391 178.4758 24 E 3.9305 8.2993 120.3377 59.3120 29.5032 178.6483 25 N 4.3459 8.0871 116.6457 56.1932 38.5727 177.5754 26 V 3.5836 7.6743 119.6009 65.9774 31.6180 178.2673 27 K 4.3005 8.6092 119.5201 58.8360 31.9251 179.2002 28 A 4.0010 7.9309 121.1887 55.0640 18.2977 179.8772 29 K 3.9839 7.8848 116.6074 59.6156 32.1164 179.7287 30 I 3.7667 7.9613 120.2555 64.1921 36.9727 178.1858 31 Q 4.3168 8.0864 121.9672 58.8291 28.6476 178.2097 32 D 4.3986 7.7736 118.4034 57.1659 40.9110 178.6749 33 K 4.1467 8.0174 118.0935 58.9813 32.2776 178.4450 34 E 4.6028 8.6807 115.5590 55.2440 30.8785 177.2670 35 G 3.8887 8.4836 107.0957 45.3415 0.0000 173.2721 36 I 4.1122 7.3722 121.3860 59.2990 38.0342 173.7412 37 P 4.4186 0.0000 0.0000 61.8720 32.0905 175.6369 38 P 4.3018 0.0000 0.0000 65.8435 31.5318 178.4648 39 D 4.3645 8.1407 116.8134 57.2091 40.7911 177.0262 40 Q 4.4026 8.0032 115.5512 55.7936 29.0150 175.1840 41 Q 4.6161 7.9659 118.6393 54.1178 30.7066 174.5177 42 R 4.6225 8.5977 121.6102 54.6912 33.4127 173.4832 43 L 5.2347 8.5820 126.0326 53.1651 44.3565 175.4796 44 I 5.1732 8.7647 123.6778 59.6744 41.3084 174.4209 45 F 5.0391 9.0300 126.8443 57.4406 43.1853 174.1059 46 A 3.4700 8.9696 128.2195 53.1546 15.9010 177.6449 47 G 3.8640 8.3269 104.3586 47.2572 0.0000 174.0614 48 K 4.4311 7.9223 119.7866 54.0552 34.0578 175.1550 49 Q 4.5910 8.5209 125.2476 55.3983 29.3999 175.2715 50 L 3.8582 8.5557 128.4643 54.5455 42.5750 177.0610 51 E 4.2547 9.4878 124.1975 56.0628 30.5277 177.4633 52 D 4.3879 9.2545 124.3916 57.7344 40.9818 178.8606 53 G 3.8379 8.0245 103.8841 46.4860 0.0000 173.4746 54 R 4.5370 7.8713 119.7172 55.5150 32.2247 175.7169 55 T 4.9323 8.6266 111.2095 60.1709 71.3844 175.6793 56 L 4.0767 8.6063 122.0801 58.2318 42.1657 180.0566 57 S 4.0787 8.4452 113.5405 61.3572 62.5256 175.8220 58 D 4.1987 7.8234 119.1440 57.1110 40.5396 176.8898 59 Y 4.6413 7.3760 112.6966 56.9841 37.9704 174.8215 60 N 4.1776 8.2191 117.1123 54.4644 37.9855 174.0583 61 I 3.7292 7.8748 117.6320 60.4642 37.4439 175.7822 62 Q 4.6128 8.2203 124.5779 53.0131 31.4708 174.8773 63 K 4.0727 8.2532 117.6051 58.9823 32.4815 177.1982 64 E 4.0526 9.2677 119.8936 56.5733 28.3938 175.1559 65 S 4.4795 7.6908 115.2791 59.0249 64.2907 173.3364 66 T 5.1744 8.5982 118.9566 62.0602 70.4309 173.8915 67 L 4.6889 9.3223 127.1407 53.9442 44.3954 175.2389 68 H 5.2893 9.0566 118.6404 54.0999 31.2192 173.1022 69 L 4.9191 8.7285 126.3906 53.8054 43.4580 176.6872 70 V 4.1512 8.7621 119.0471 61.5776 32.6306 175.4792 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 M 8.16 4.39 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 2 Q 8.40 4.72 0.00 2.12 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 1.70 2.24 0.00 3 I 9.08 4.59 1.80 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 1.06 0.42 0.75 0.00 0.00 4 F 9.03 5.46 0.00 3.01 2.91 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 5 V 8.95 4.78 2.11 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 0.99 0.00 0.00 0.92 0.00 0.00 6 K 9.17 4.98 0.00 1.71 1.77 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.55 7.81 7 T 8.87 4.76 4.25 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 0.00 0.00 0.00 1.27 0.00 0.00 8 L 8.37 4.21 0.00 1.67 1.77 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.80 4.27 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 1.22 0.00 0.00 10 G 7.98 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 11 K 7.60 4.23 0.00 1.92 1.69 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 T 8.43 5.09 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 1.20 0.00 0.00 13 I 9.04 4.57 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.83 0.93 0.00 0.00 14 T 8.57 5.07 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 1.18 0.00 0.00 15 L 8.68 4.83 0.00 1.49 1.42 0.90 0.45 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 16 E 8.69 4.91 0.00 1.88 1.78 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 2.15 2.32 0.00 17 V 9.11 4.69 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 0.69 0.00 0.00 0.94 0.00 0.00 18 E 9.40 4.66 0.00 1.82 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 2.20 2.23 0.00 19 P 0.00 4.13 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 20 S 7.87 4.55 0.00 3.84 3.86 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 0.00 0.00 0.00 21 D 8.07 4.46 0.00 2.90 2.57 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 0.00 0.00 0.00 0.00 22 T 8.19 4.73 4.45 0.00 0.00 0.00 0.00 0.00 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 23 I 8.44 3.74 2.20 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.09 0.92 0.00 0.00 24 E 8.30 3.93 0.00 2.21 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 2.31 2.36 0.00 25 N 8.09 4.35 0.00 3.00 2.84 0.00 0.00 6.63 7.71 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 26 V 7.67 3.58 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 1.00 0.00 0.00 0.95 0.00 0.00 27 K 8.61 4.30 0.00 1.99 1.85 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.50 7.81 28 A 7.93 4.00 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 29 K 7.88 3.98 0.00 1.98 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.66 7.81 30 I 7.96 3.77 2.15 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 1.41 0.69 0.91 0.00 0.00 31 Q 8.09 4.32 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 7.77 4.40 0.00 2.87 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 33 K 8.02 4.15 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.58 1.62 7.81 34 E 8.68 4.60 0.00 1.86 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 2.25 2.43 0.00 35 G 8.48 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 0.00 0.00 0.00 36 I 7.37 4.11 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.91 0.00 0.00 37 P 0.00 4.42 0.00 2.18 1.97 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.30 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 39 D 8.14 4.36 0.00 2.67 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 40 Q 8.00 4.40 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 41 Q 7.97 4.62 0.00 2.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 42 R 8.60 4.62 0.00 1.87 1.73 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 43 L 8.58 5.23 0.00 1.60 1.52 0.91 0.74 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 44 I 8.76 5.17 1.91 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 1.11 0.86 0.96 0.00 0.00 45 F 9.03 5.04 0.00 3.01 2.76 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 0.00 0.00 0.00 46 A 8.97 3.47 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.92 4.43 0.00 1.88 1.65 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.48 7.81 49 Q 8.52 4.59 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.56 3.86 0.00 1.43 1.34 0.78 -0.15 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 51 E 9.49 4.25 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 52 D 9.25 4.39 0.00 2.76 2.76 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 0.00 0.00 0.00 53 G 8.02 3.84 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 0.00 0.00 0.00 54 R 7.87 4.54 0.00 2.06 1.59 0.00 3.05 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 55 T 8.63 4.93 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 1.24 0.00 0.00 56 L 8.61 4.08 0.00 1.81 1.71 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.45 4.08 0.00 3.94 3.83 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 0.00 0.00 0.00 58 D 7.82 4.20 0.00 2.61 2.31 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 59 Y 7.38 4.64 0.00 3.16 3.06 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 60 N 8.22 4.18 0.00 2.91 3.01 0.00 0.00 7.13 8.76 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 61 I 7.87 3.73 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.64 0.57 0.00 0.00 62 Q 8.22 4.61 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.02 0.00 0.00 0.00 0.00 0.00 2.57 2.28 0.00 63 K 8.25 4.07 0.00 1.82 1.80 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.27 4.05 0.00 2.22 2.40 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 2.26 2.49 0.00 65 S 7.69 4.48 0.00 3.67 3.57 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 0.00 0.00 0.00 0.00 66 T 8.60 5.17 4.33 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 1.21 0.00 0.00 67 L 9.32 4.69 0.00 1.53 1.56 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.06 5.29 0.00 3.14 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.73 4.92 0.00 1.64 1.72 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.76 4.15 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 0.76 0.00 0.00 1.02 0.00 0.00