NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3712 8.1744 110.9432 61.3854 70.2983 173.4516 6 N 4.8401 7.9758 119.0743 53.3234 39.4067 173.2410 7 S 4.4321 8.9491 113.0115 57.6994 64.8435 173.4027 8 D 4.7733 8.6257 121.7655 55.1176 41.8007 175.4871 9 F 5.4295 7.9157 114.0913 55.4761 41.6306 173.9351 10 V 4.6315 8.8179 112.0810 59.5598 35.4404 174.8220 11 V 4.8540 8.8186 123.5117 61.3150 34.0020 174.4516 12 I 4.9166 9.1367 128.2757 59.3514 40.7245 174.0722 13 K 5.0317 9.0848 128.7276 54.1853 34.4901 175.0735 14 A 4.3574 8.8648 130.2733 52.3287 19.1492 177.4092 15 L 4.7324 8.9431 122.0494 54.4778 42.6428 175.9593 16 E 4.6867 7.7144 115.5727 54.7776 32.3359 174.4840 17 D 4.4491 8.3503 119.4557 55.7450 41.3333 176.9349 18 G 3.8687 8.5798 109.5822 45.7267 0.0000 173.9157 19 V 3.8637 7.5951 119.6526 62.9581 32.8804 174.3492 20 N 5.2843 9.2083 125.0448 51.5011 41.3459 173.7021 21 V 4.3958 8.8856 125.0682 61.5665 33.1173 174.2127 22 I 4.4380 8.6055 130.5808 59.4363 39.2161 175.2825 23 G 4.0787 8.7475 115.5556 45.3758 0.0000 172.4888 24 L 5.5184 8.8147 126.0040 53.1808 44.1329 176.2730 25 T 4.5708 8.7653 114.0338 61.6450 69.3498 174.4368 26 R 4.2098 7.8558 125.6883 57.0855 30.9083 174.8338 27 G 3.7242 8.8705 108.3763 44.0818 0.0000 173.9889 28 A 3.9935 8.6373 120.7134 54.3758 18.5827 177.5685 29 D 4.7597 7.2830 111.7701 53.1501 42.4663 176.0826 30 T 4.6955 8.3481 122.7206 61.7929 69.9337 172.9135 31 R 4.7305 9.1890 123.0685 54.0952 33.9874 173.9751 32 F 5.3879 8.6727 118.0720 57.5411 39.1754 175.6788 33 H 4.9865 8.7664 117.9774 56.1798 30.5723 173.9342 34 H 4.6413 7.5268 116.7981 55.1248 33.2468 172.1108 35 S 4.7251 8.2711 119.7692 56.4157 64.6200 172.4857 36 E 4.4043 8.9250 129.9280 54.9374 30.7290 174.8900 37 K 4.8769 8.5793 126.9477 55.5708 33.6218 176.1667 38 L 4.9468 8.9934 124.7502 53.1362 44.9832 176.0690 39 D 5.0811 9.1860 123.3499 52.2368 43.6271 175.9106 40 K 4.1424 8.6817 121.8088 58.3884 32.2511 176.8362 41 G 4.0435 8.9670 116.0127 45.1515 0.0000 173.5510 42 E 4.2328 8.0599 119.4591 56.3243 30.8171 176.0436 43 V 4.9296 8.2908 121.9729 61.0260 34.2307 174.2128 44 L 4.7405 9.2946 129.8754 53.2398 44.7495 174.8264 45 I 5.0429 8.4591 126.2903 59.5940 39.3534 174.6778 46 A 4.7158 8.9004 129.0165 50.1168 21.9803 175.3781 47 Q 4.8874 8.6140 120.6998 54.8789 30.5525 175.6888 48 F 4.6227 8.6622 120.2146 57.9815 39.8282 175.1939 49 T 4.6873 8.6901 111.3260 60.0926 71.9951 173.0986 50 E 3.9964 8.9663 121.4535 59.6458 29.5360 177.4530 51 H 4.5372 8.0987 113.7945 56.6588 29.7845 174.2981 52 T 5.5491 8.3590 116.3900 60.8022 71.0934 174.3586 53 S 5.0699 9.0087 119.6055 57.9775 64.8962 173.1956 54 A 5.0396 7.9269 121.2890 51.2010 22.6201 175.2833 55 I 4.9220 8.4942 120.5179 59.3806 40.7225 174.6749 56 K 4.5929 8.8600 128.1760 54.5248 34.7055 174.7279 57 V 4.7967 8.3704 126.3590 61.1564 33.7191 174.5589 58 R 4.5424 9.2043 127.0579 55.5306 33.0517 176.2107 59 G 4.0712 9.0445 109.0106 44.1904 0.0000 172.3953 60 K 4.5619 9.2433 120.7128 56.0491 33.1084 175.5796 61 A 5.1039 8.8531 127.9125 51.0432 23.3649 173.7808 62 Y 5.1443 9.0123 121.9264 56.1384 41.0159 174.5625 63 I 4.9077 8.6417 127.0383 59.4755 41.0298 174.2836 64 Q 4.9821 8.7747 125.5865 54.3182 31.8295 174.9080 65 T 4.6934 8.5531 112.6865 59.6368 72.5284 174.5697 66 R 3.7533 8.5643 120.7101 59.5042 29.8462 176.5219 67 H 4.6880 8.6642 112.5493 55.5385 29.6929 175.1445 68 G 3.7109 6.6085 106.9537 44.3390 0.0000 172.9183 69 V 4.8113 7.7430 113.6224 59.9835 35.0374 174.9746 70 I 4.4435 8.1160 120.9729 60.2938 41.9659 172.7560 71 E 5.2810 8.6670 125.6634 54.4950 32.1975 176.0883 72 S 4.5727 8.8660 119.1244 58.0606 64.9328 172.9842 73 E 4.9331 8.7689 120.1254 54.5605 32.5934 176.4292 74 G 3.7191 8.4823 109.2760 45.8069 0.0000 173.3004 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 5 T 8.17 4.37 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 1.22 0.00 0.00 6 N 7.98 4.84 0.00 2.78 2.82 0.00 0.00 7.19 6.75 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 7 S 8.95 4.43 0.00 4.14 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 8 D 8.63 4.77 0.00 2.75 2.75 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 9 F 7.92 5.43 0.00 2.97 2.98 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 0.00 0.00 0.00 10 V 8.82 4.63 2.03 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 0.63 0.00 0.00 0.87 0.00 0.00 11 V 8.82 4.85 2.21 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 1.14 0.00 0.00 1.14 0.00 0.00 12 I 9.14 4.92 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.90 0.00 0.00 13 K 9.08 5.03 0.00 1.89 1.82 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.86 4.36 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.94 4.73 0.00 1.65 1.71 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.71 4.69 0.00 2.02 1.88 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 2.19 2.33 0.00 17 D 8.35 4.45 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.58 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.60 3.86 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 1.05 0.00 0.00 1.00 0.00 0.00 20 N 9.21 5.28 0.00 2.57 2.57 0.00 0.00 6.33 7.34 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 21 V 8.89 4.40 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.89 0.00 0.00 22 I 8.61 4.44 1.34 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.24 -0.50 0.00 0.00 23 G 8.75 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.81 5.52 0.00 1.92 1.71 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.77 4.57 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 1.33 0.00 0.00 26 R 7.86 4.21 0.00 1.91 1.97 0.00 3.20 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.87 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 0.00 0.00 0.00 28 A 8.64 3.99 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 29 D 7.28 4.76 0.00 2.70 2.58 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 30 T 8.35 4.70 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 R 9.19 4.73 0.00 1.77 2.06 0.00 2.79 0.00 0.00 3.50 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 32 F 8.67 5.39 0.00 2.87 2.89 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 33 H 8.77 4.99 0.00 3.16 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.53 4.64 0.00 3.27 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.27 4.73 0.00 3.69 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 36 E 8.92 4.40 0.00 2.17 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 2.25 2.32 0.00 37 K 8.58 4.88 0.00 1.64 1.70 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.71 7.81 38 L 8.99 4.95 0.00 1.51 1.52 0.91 0.82 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 39 D 9.19 5.08 0.00 2.58 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 40 K 8.68 4.14 0.00 1.71 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.29 7.81 41 G 8.97 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.06 4.23 0.00 2.04 1.88 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 2.32 2.26 0.00 43 V 8.29 4.93 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 0.84 0.00 0.00 0.96 0.00 0.00 44 L 9.29 4.74 0.00 1.71 1.45 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 5.04 1.73 0.00 0.00 0.81 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 0.65 0.70 0.00 0.00 46 A 8.90 4.72 1.11 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 47 Q 8.61 4.89 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 48 F 8.66 4.62 0.00 3.00 2.96 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 49 T 8.69 4.69 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 1.25 0.00 0.00 50 E 8.97 4.00 0.00 1.90 1.93 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 2.05 2.28 0.00 51 H 8.10 4.54 0.00 3.24 3.18 0.00 5.80 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 52 T 8.36 5.55 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 1.31 0.00 0.00 53 S 9.01 5.07 0.00 3.87 4.10 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 0.00 0.00 0.00 0.00 54 A 7.93 5.04 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 55 I 8.49 4.92 1.79 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.57 0.81 0.00 0.00 56 K 8.86 4.59 0.00 1.83 1.52 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.38 7.81 57 V 8.37 4.80 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 0.86 0.00 0.00 0.89 0.00 0.00 58 R 9.20 4.54 0.00 1.72 1.77 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 59 G 9.04 4.07 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 0.00 0.00 0.00 60 K 9.24 4.56 0.00 1.91 1.71 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.85 5.10 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 62 Y 9.01 5.14 0.00 3.02 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 63 I 8.64 4.91 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.82 0.00 0.00 64 Q 8.77 4.98 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.14 1.87 0.00 65 T 8.55 4.69 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 1.16 0.00 0.00 66 R 8.56 3.75 0.00 1.59 1.73 0.00 3.12 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 67 H 8.66 4.69 0.00 3.16 3.29 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.61 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 0.00 0.00 0.00 69 V 7.74 4.81 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 0.73 0.00 0.00 1.02 0.00 0.00 70 I 8.12 4.44 1.84 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 1.09 0.85 0.00 0.00 71 E 8.67 5.28 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 72 S 8.87 4.57 0.00 3.92 3.98 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 0.00 0.00 0.00 73 E 8.77 4.93 0.00 1.85 1.88 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 2.22 2.29 0.00 74 G 8.48 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 0.00 0.00 0.00