NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3407 8.1744 110.9434 61.2525 70.6648 173.3567 6 N 4.7367 7.9111 120.4204 53.3560 39.3832 173.4026 7 S 4.5078 8.1538 111.8831 57.2486 65.1498 173.2011 8 D 4.7053 8.6830 121.9570 55.2024 41.9686 175.1147 9 F 5.3330 8.0120 117.2281 55.2598 41.6010 173.9113 10 V 4.5593 8.9307 112.6582 59.6001 34.9517 174.8621 11 V 4.8307 8.7314 123.8100 61.3338 34.0650 174.5406 12 I 5.0321 8.7183 127.7515 59.4844 41.1898 173.9594 13 K 5.0545 9.1614 128.8514 54.2220 34.7983 174.9302 14 A 4.4625 8.6659 130.1362 52.2123 19.1057 177.4680 15 L 4.6320 8.8506 122.3406 54.7675 42.4438 176.1814 16 E 4.6932 7.6975 115.4832 54.7669 32.3313 174.5160 17 D 4.5059 8.4302 119.5384 55.5107 41.3724 176.2359 18 G 3.8320 7.8647 106.5840 46.6931 0.0000 174.3403 19 V 3.9895 7.5858 118.9036 62.4751 33.2473 174.3349 20 N 5.2964 8.8390 123.4854 51.4833 41.5811 173.4454 21 V 4.5124 8.9468 124.7485 61.2810 33.6998 174.3069 22 I 4.6369 8.6213 129.3618 59.3398 39.9772 174.7080 23 G 4.2337 8.6195 114.7214 44.8278 0.0000 172.6368 24 L 5.3738 8.9161 125.8728 53.2558 44.1072 176.2517 25 T 4.4466 8.8030 113.7997 61.5841 69.3392 174.3996 26 R 4.1298 8.3776 126.3833 57.1836 30.8147 175.0615 27 G 3.8295 8.7026 108.8391 44.3037 0.0000 173.3061 28 A 4.0825 8.7007 121.3131 54.1288 18.8123 177.5495 29 D 4.9786 7.8474 114.0750 53.0883 43.1973 176.2994 30 T 4.5780 8.1995 121.1373 61.3202 68.6646 172.8883 31 R 4.6272 8.5638 122.4683 53.8605 32.5215 176.2510 32 F 5.1592 8.3869 116.3264 57.5235 39.6898 175.5364 33 H 5.0202 8.7144 116.9176 55.5139 30.2638 172.9884 34 H 4.9096 7.4776 118.5097 54.7629 33.5946 172.3238 35 S 4.6320 7.9221 117.7179 56.6065 64.6865 172.1243 36 E 4.4276 9.1110 129.7556 54.7597 31.1702 174.6446 37 K 4.9809 8.6072 126.3661 54.9548 33.9099 175.5675 38 L 4.9104 9.1670 125.9069 53.2106 44.5529 176.1466 39 D 5.0428 9.0978 122.8585 52.2720 43.5385 175.7952 40 K 3.9726 9.1420 121.5042 58.8217 32.0822 176.9969 41 G 3.9861 9.2346 115.4742 45.1159 0.0000 172.9386 42 E 4.3466 7.8431 119.5028 55.8754 31.0463 175.7574 43 V 4.8840 8.3140 122.4987 61.0021 34.2983 174.1154 44 L 4.6797 9.2564 130.1232 53.3189 44.4526 174.7871 45 I 4.9792 8.4573 126.8926 59.6654 38.9806 174.7860 46 A 4.7187 8.9041 129.1077 50.1044 22.0271 175.2247 47 Q 4.7484 8.5624 120.4207 54.7938 30.5713 175.7229 48 F 4.6885 8.1948 120.4313 57.9862 39.0387 175.1007 49 T 4.6961 9.0826 111.6583 60.1123 71.9627 174.0543 50 E 4.1726 8.8709 121.4417 59.5133 29.7740 177.1217 51 H 4.6207 7.8590 115.5081 56.8717 30.7595 175.3204 52 T 5.4024 8.2868 115.5425 61.0318 70.2134 175.0152 53 S 5.0424 8.6127 119.5725 57.6543 64.8674 173.1049 54 A 4.7717 7.7413 119.6080 51.6275 22.1424 175.6155 55 I 5.0831 8.6592 120.5958 59.3257 41.1222 174.8067 56 K 4.5586 9.1531 126.9382 54.5237 35.1683 174.6690 57 V 4.7165 8.4875 126.8830 61.2518 33.5642 174.5190 58 R 4.5328 8.8490 127.2006 55.7045 32.5725 177.1542 59 G 3.9795 8.9288 108.2184 44.5065 0.0000 172.5278 60 K 5.0125 8.9044 119.6541 55.5183 32.8344 175.5569 61 A 5.1228 8.8465 128.4299 50.7205 23.5215 173.7400 62 Y 4.9050 9.1725 121.5231 56.0768 40.9191 174.5030 63 I 4.8063 8.2616 128.1422 59.5275 40.2085 174.5128 64 Q 5.0000 8.9240 126.7849 54.3112 31.3335 175.0019 65 T 4.6882 8.5059 112.8118 59.6475 72.5512 174.6432 66 R 3.8064 8.5735 121.3913 59.8008 29.8192 176.5495 67 H 4.6450 7.9054 112.1034 55.4851 29.4335 174.9965 68 G 3.7316 7.0304 107.4747 44.2159 0.0000 173.1140 69 V 4.8544 7.6314 112.9167 59.9287 35.3054 175.0635 70 I 4.3124 7.8433 119.9797 60.3428 41.8812 172.6734 71 E 5.2862 8.7988 126.9510 54.5542 32.0900 175.7478 72 S 4.6598 9.1995 119.1714 57.6595 65.2518 172.7768 73 E 4.9056 8.7440 120.8531 54.8894 32.1805 176.0029 74 G 4.0181 8.2324 111.5196 43.8408 0.0000 173.5636 75 K 4.2317 8.7762 120.2750 56.7218 32.7813 176.0908 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 4.34 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 7.91 4.74 0.00 2.80 2.86 0.00 0.00 7.10 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 8.15 4.51 0.00 4.10 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 8 D 8.68 4.71 0.00 2.83 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 9 F 8.01 5.33 0.00 2.99 2.93 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 10 V 8.93 4.56 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 0.58 0.00 0.00 0.86 0.00 0.00 11 V 8.73 4.83 2.22 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 1.13 0.00 0.00 1.18 0.00 0.00 12 I 8.72 5.03 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.57 0.91 0.00 0.00 13 K 9.16 5.05 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.67 4.46 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 L 8.85 4.63 0.00 1.64 1.72 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 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 8.43 4.51 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 7.86 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 19 V 7.59 3.99 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 0.98 0.00 0.00 1.00 0.00 0.00 20 N 8.84 5.30 0.00 2.64 2.58 0.00 0.00 6.58 7.56 0.00 0.00 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 8.95 4.51 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 0.91 0.00 0.00 0.89 0.00 0.00 22 I 8.62 4.64 1.50 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.27 -0.27 0.00 0.00 23 G 8.62 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 0.00 0.00 0.00 0.00 24 L 8.92 5.37 0.00 1.85 1.69 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.80 4.45 4.32 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 1.38 0.00 0.00 26 R 8.38 4.13 0.00 1.84 1.96 0.00 3.22 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 8.70 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 28 A 8.70 4.08 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 7.85 4.98 0.00 2.63 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 30 T 8.20 4.58 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 R 8.56 4.63 0.00 1.96 2.06 0.00 2.78 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 32 F 8.39 5.16 0.00 2.96 2.93 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 33 H 8.71 5.02 0.00 3.24 3.47 0.00 5.74 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.48 4.91 0.00 3.26 3.03 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.92 4.63 0.00 3.71 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 36 E 9.11 4.43 0.00 2.10 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 0.00 2.25 2.31 0.00 37 K 8.61 4.98 0.00 1.63 1.71 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.48 7.81 38 L 9.17 4.91 0.00 1.54 1.54 0.91 0.94 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 39 D 9.10 5.04 0.00 2.58 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 40 K 9.14 3.97 0.00 1.66 1.87 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.41 7.81 41 G 9.23 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 0.00 0.00 0.00 42 E 7.84 4.35 0.00 2.04 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 2.32 2.34 0.00 43 V 8.31 4.88 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 0.81 0.00 0.00 0.97 0.00 0.00 44 L 9.26 4.68 0.00 1.71 1.47 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 4.98 1.73 0.00 0.00 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 1.27 0.74 0.68 0.00 0.00 46 A 8.90 4.72 1.12 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 47 Q 8.56 4.75 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 48 F 8.19 4.69 0.00 3.10 3.03 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 0.00 0.00 0.00 0.00 49 T 9.08 4.70 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 1.29 0.00 0.00 50 E 8.87 4.17 0.00 1.91 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 2.04 2.27 0.00 51 H 7.86 4.62 0.00 3.34 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.29 5.40 4.36 0.00 0.00 0.00 0.00 0.00 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 53 S 8.61 5.04 0.00 3.83 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 54 A 7.74 4.77 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.66 5.08 1.89 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.86 0.00 0.00 56 K 9.15 4.56 0.00 1.71 1.45 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.34 7.81 57 V 8.49 4.72 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 8.85 4.53 0.00 1.78 1.79 0.00 3.19 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 59 G 8.93 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 0.00 0.00 0.00 60 K 8.90 5.01 0.00 1.91 1.73 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.26 7.81 61 A 8.85 5.12 1.22 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 0.00 0.00 0.00 62 Y 9.17 4.91 0.00 3.02 2.85 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 63 I 8.26 4.81 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.54 0.82 0.00 0.00 64 Q 8.92 5.00 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.23 2.01 0.00 65 T 8.51 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 1.14 0.00 0.00 66 R 8.57 3.81 0.00 1.59 1.77 0.00 3.16 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 67 H 7.91 4.65 0.00 3.13 3.28 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 7.03 3.73 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 0.00 0.00 0.00 69 V 7.63 4.85 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 0.70 0.00 0.00 0.99 0.00 0.00 70 I 7.84 4.31 1.83 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 1.36 0.84 0.00 0.00 71 E 8.80 5.29 0.00 1.90 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 2.43 2.41 0.00 72 S 9.20 4.66 0.00 3.87 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 73 E 8.74 4.91 0.00 1.84 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 2.21 2.28 0.00 74 G 8.23 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.78 4.23 0.00 1.77 2.08 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.36 7.81