NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2159 8.1701 117.3741 62.7323 69.9050 173.0715 3 A 3.8256 8.4410 125.7734 51.8591 18.4530 176.2463 4 L 4.0129 8.8347 125.5900 54.8908 43.2536 175.6363 5 A 4.2170 8.2467 125.2728 51.0969 19.3025 177.1583 6 K 3.9929 8.4107 121.7075 55.7619 32.3663 175.3705 7 P 4.4972 0.0000 0.0000 61.6419 32.3481 175.6997 8 Q 3.9916 8.5289 120.4875 57.0080 28.9590 175.8027 9 M 4.6495 8.6534 123.2698 54.8733 33.3419 175.6874 10 R 4.5510 7.8571 118.7808 55.3049 32.3897 176.3585 11 G 3.8539 8.7136 108.2366 46.8758 0.0000 175.9926 12 L 3.9552 7.3602 119.3656 57.2868 41.4396 179.0074 13 L 3.9358 7.8400 119.5660 58.0427 42.2337 178.4629 14 A 3.9855 8.0142 120.2911 55.2145 18.2464 179.4343 15 R 3.8270 8.3084 117.3292 59.5924 30.2340 178.4486 16 R 3.9381 8.0134 118.5224 59.4609 29.9370 177.9281 17 L 3.9566 8.2042 120.0697 58.2476 42.0753 178.6671 18 R 3.8707 8.0709 118.4189 59.6208 30.0219 177.8185 19 F 3.9840 8.3800 120.2310 61.9941 39.3165 176.7817 20 H 4.4145 8.4377 115.0964 58.2722 28.5834 177.9231 21 I 3.8126 8.0464 122.2134 64.0905 36.9667 178.4104 22 V 3.6341 7.9659 119.3304 65.9695 31.3826 177.9596 23 G 3.6882 7.8478 105.1827 47.9781 0.0000 175.3089 24 A 3.9988 8.4648 123.6078 54.7171 18.4241 179.2782 25 F 4.0466 8.4143 119.2798 61.7983 39.4535 176.8934 26 M 3.8104 8.2170 118.0965 58.7514 31.7846 178.8792 27 V 3.5922 7.7830 117.8419 66.2760 31.5903 177.8394 28 S 4.1124 8.2478 114.9024 61.6918 62.6023 176.5823 29 L 3.8138 7.5315 121.4057 57.8927 41.4463 180.0687 30 G 3.6222 7.9694 105.2159 47.7690 0.0000 175.3456 31 F 4.1863 8.6548 123.5973 60.9975 39.4135 176.8242 32 A 3.9657 8.7043 120.6883 55.6207 17.8768 179.8250 33 T 3.8004 7.9580 113.1772 66.7359 68.8981 176.2698 34 F 4.3211 8.6967 122.9479 61.6472 39.2630 176.5971 35 Y 3.3947 8.1363 119.3433 60.1439 38.2726 177.1226 36 K 4.5257 7.9592 116.1129 56.5465 31.7307 176.5834 37 F 4.4940 7.5325 120.2930 59.4101 41.1076 176.9561 38 A 3.3005 7.8666 120.6939 53.3341 18.2974 177.9148 39 V 3.7465 7.1688 113.9751 64.3347 33.1851 177.4989 40 A 3.8240 7.2012 119.5460 55.1645 18.4936 179.2189 41 E 3.8320 7.8560 116.1625 59.3929 29.6654 179.2757 42 K 3.6493 7.3511 118.9393 59.5234 32.0809 178.7845 43 R 3.9576 7.7621 118.8386 59.1640 30.0035 178.4840 44 K 3.9694 7.9992 118.3506 59.5013 32.0331 179.2453 45 K 3.9633 8.2693 119.6177 59.2110 32.1116 178.4018 46 A 3.9464 8.4598 121.5364 55.6296 18.3150 179.2823 47 Y 3.7280 8.3293 114.5282 61.1464 37.7911 178.5235 48 A 4.1869 8.3599 120.7900 55.3894 18.7156 179.2800 49 D 4.4280 8.4405 117.3399 57.4388 40.7777 178.3290 50 F 3.8157 7.8500 119.6912 61.8329 39.3979 176.5625 51 Y 4.3981 7.9993 113.0217 59.3452 37.9016 177.3469 52 R 4.1782 7.7542 120.1248 58.7170 30.6472 177.5246 53 N 5.0296 7.9403 113.8312 52.6630 39.4444 173.9627 54 Y 4.1762 8.0978 118.9913 56.8896 39.9114 174.3129 55 D 4.5123 7.7739 126.3041 52.1277 42.7064 176.3332 56 S 3.7751 7.8496 123.4805 61.3284 63.1491 176.1609 57 M 4.0706 7.8960 121.8110 57.9901 31.8191 178.2046 58 K 3.8533 8.4804 119.9978 59.6865 32.3870 177.9625 59 D 4.3948 8.2840 118.4752 57.5698 41.0079 178.2297 60 F 4.4076 8.5871 121.0835 61.1498 39.3654 176.5945 61 E 3.8310 8.7101 119.3705 59.3573 29.4592 178.3097 62 E 3.9157 8.0484 118.4617 59.9411 29.4689 179.4237 63 M 3.8569 7.8414 118.0081 58.2981 32.0477 178.6902 64 R 3.8163 8.2653 119.3909 59.4792 29.9795 178.3438 65 K 3.8089 8.2862 116.8197 59.6397 32.2428 178.5882 66 A 4.1874 7.7928 117.8366 52.7698 18.2783 178.1741 67 G 3.8301 7.7223 105.7924 45.4335 0.0000 175.0092 68 I 3.7129 6.9873 114.7150 62.4919 37.9628 176.4815 69 F 4.8528 7.3834 119.1365 56.5683 40.0465 175.5074 70 Q 4.1476 8.9868 126.1690 59.4006 29.0990 177.9538 71 S 4.2872 8.1524 108.7308 59.6702 63.6983 174.7083 72 A 4.7658 7.4133 123.2228 50.8563 20.0148 176.3119 73 K 4.1987 8.2299 120.8240 56.2699 32.0726 177.3173 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 2 T 8.17 4.22 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 3 A 8.44 3.83 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.83 4.01 0.00 1.64 1.62 0.92 0.86 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 5 A 8.25 4.22 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 6 K 8.41 3.99 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 P 0.00 4.50 0.00 2.21 2.02 0.00 3.82 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 1.98 1.94 0.00 8 Q 8.53 3.99 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 9 M 8.65 4.65 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.50 0.00 10 R 7.86 4.55 0.00 1.83 1.81 0.00 3.25 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 11 G 8.71 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.36 3.96 0.00 1.70 1.73 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.84 3.94 0.00 1.76 1.66 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.01 3.99 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 15 R 8.31 3.83 0.00 1.88 2.21 0.00 3.11 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 16 R 8.01 3.94 0.00 1.95 2.14 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 17 L 8.20 3.96 0.00 1.82 1.88 0.95 1.18 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 18 R 8.07 3.87 0.00 2.11 1.98 0.00 3.17 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 19 F 8.38 3.98 0.00 3.09 3.17 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 20 H 8.44 4.41 0.00 3.39 3.39 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.05 3.81 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.87 0.92 0.00 0.00 22 V 7.97 3.63 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 0.93 0.00 0.00 0.89 0.00 0.00 23 G 7.85 3.69 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 0.00 0.00 0.00 24 A 8.46 4.00 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 25 F 8.41 4.05 0.00 3.17 3.31 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 26 M 8.22 3.81 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.72 0.00 27 V 7.78 3.59 2.17 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 1.10 0.00 0.00 0.97 0.00 0.00 28 S 8.25 4.11 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 3.81 0.00 1.67 1.58 0.38 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.97 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.65 4.19 0.00 3.11 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.70 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 33 T 7.96 3.80 4.46 0.00 0.00 0.00 0.00 0.00 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 34 F 8.70 4.32 0.00 3.08 3.25 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 0.00 35 Y 8.14 3.39 0.00 2.35 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 36 K 7.96 4.53 0.00 1.88 1.82 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.61 7.81 37 F 7.53 4.49 0.00 2.92 3.07 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 0.00 0.00 0.00 0.00 38 A 7.87 3.30 0.58 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 0.00 0.00 39 V 7.17 3.75 0.67 0.00 0.00 0.00 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 0.24 0.00 0.00 40 A 7.20 3.82 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 41 E 7.86 3.83 0.00 2.04 1.90 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 2.56 2.31 0.00 42 K 7.35 3.65 0.00 1.55 1.67 0.00 1.38 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.29 7.81 43 R 7.76 3.96 0.00 1.96 2.04 0.00 3.14 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 44 K 8.00 3.97 0.00 1.85 1.86 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.68 7.81 45 K 8.27 3.96 0.00 1.86 1.76 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.46 7.81 46 A 8.46 3.95 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 47 Y 8.33 3.73 0.00 3.17 3.23 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 48 A 8.36 4.19 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 49 D 8.44 4.43 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.85 3.82 0.00 2.81 2.83 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 51 Y 8.00 4.40 0.00 3.29 3.07 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 0.00 0.00 0.00 0.00 52 R 7.75 4.18 0.00 2.01 2.00 0.00 3.22 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 53 N 7.94 5.03 0.00 2.68 2.74 0.00 0.00 6.82 7.46 0.00 0.00 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 Y 8.10 4.18 0.00 2.81 3.11 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 55 D 7.77 4.51 0.00 2.57 2.34 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 56 S 7.85 3.78 0.00 4.16 4.13 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 0.00 0.00 0.00 0.00 57 M 7.90 4.07 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 58 K 8.48 3.85 0.00 2.01 1.92 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 59 D 8.28 4.39 0.00 2.92 2.99 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 60 F 8.59 4.41 0.00 3.17 3.34 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 61 E 8.71 3.83 0.00 2.45 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 2.36 2.42 0.00 62 E 8.05 3.92 0.00 2.25 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 2.32 2.55 0.00 63 M 7.84 3.86 0.00 1.67 2.31 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 64 R 8.27 3.82 0.00 1.01 1.75 0.00 3.35 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.85 0.00 65 K 8.29 3.81 0.00 1.93 1.83 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.49 7.81 66 A 7.79 4.19 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 67 G 7.72 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 0.00 0.00 0.00 68 I 6.99 3.71 1.55 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.36 0.74 0.00 0.00 69 F 7.38 4.85 0.00 3.33 3.05 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 70 Q 8.99 4.15 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 71 S 8.15 4.29 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.41 4.77 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.23 4.20 0.00 1.79 1.77 0.00 2.03 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.41 7.81