NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3632 8.3344 115.2898 58.0370 64.2108 173.8224 3 T 3.8979 7.9940 112.2351 61.3742 67.7260 174.4730 4 N 4.0284 6.8833 113.0783 54.3860 37.1621 172.0223 5 P 4.9275 0.0000 0.0000 62.3885 30.3850 179.8121 6 K 4.4088 8.5594 104.7200 54.2576 34.0955 170.4951 7 P 4.1139 0.0000 0.0000 62.8988 30.9596 176.8361 8 Q 3.7972 8.3968 124.9238 57.1102 29.4167 176.1944 9 R 3.8029 7.9328 120.0221 55.4887 30.6231 176.7690 10 K 3.7027 8.3689 119.3162 57.8432 31.8429 173.7122 11 T 4.1756 7.8131 111.3133 62.3278 69.5532 172.0673 12 K 4.2568 8.7492 122.1681 55.4937 33.3949 176.3051 13 R 3.5094 8.8295 119.4553 57.1284 27.5091 174.3556 14 N 4.7414 7.9320 118.6560 52.6514 40.3407 171.0757 15 T 3.2690 8.8314 120.2356 64.0767 65.1527 169.7675 16 N 4.3626 8.1532 129.8469 53.8453 43.0511 175.3713 17 R 4.4413 8.2391 114.3867 57.3497 31.7901 177.0687 18 R 4.0651 7.8569 115.4937 56.9182 31.7630 177.9123 19 P 4.1042 0.0000 0.0000 61.9311 33.3761 176.8922 20 Q 4.2091 8.2238 129.6806 55.9781 31.3988 175.0228 21 D 3.9023 9.5247 122.6932 55.8197 39.6516 172.0145 22 V 3.3143 8.3656 115.5798 60.8086 32.6578 177.2879 23 K 3.5898 7.2762 119.9186 58.1154 31.1894 179.4725 24 F 4.4207 8.8675 121.3573 56.6356 37.6052 173.7065 25 P 4.6487 0.0000 0.0000 60.1469 31.1386 176.7201 26 G 4.3233 6.8968 109.7818 46.5864 0.0000 172.2258 27 G 4.2479 8.0670 107.7228 43.1567 0.0000 171.3544 28 G 4.1476 8.0484 108.4193 46.9230 0.0000 169.3499 29 Q 4.1116 9.6462 122.2745 55.4225 28.3888 173.1202 30 I 4.3101 7.7681 113.0258 59.9713 40.2455 175.9571 31 V 3.8206 8.1037 125.5559 59.7883 29.1790 174.5894 32 G 4.4621 7.1317 111.9882 43.2606 0.0000 170.9969 33 G 4.2238 8.1364 105.5937 44.8697 0.0000 173.6594 34 V 4.0935 7.8593 119.0345 61.9164 32.5396 175.9012 35 Y 4.0582 7.9909 119.2555 57.0151 39.3669 174.3330 36 L 4.6508 7.2508 121.4625 53.9560 43.1645 173.8441 37 L 4.5585 8.1406 126.1129 55.7872 44.1648 174.5103 38 P 4.4889 0.0000 0.0000 61.7330 32.4679 176.2356 39 R 5.4723 7.5980 134.4372 56.1517 30.0008 171.8592 40 R 4.6627 6.8656 122.3150 55.2185 37.7400 177.8479 41 G 3.8307 7.5638 112.9084 45.5200 0.0000 169.9339 42 P 4.7444 0.0000 0.0000 61.7015 33.0930 172.0802 43 R 4.0570 9.3655 119.8569 56.6927 29.5262 176.9440 44 L 4.7357 7.2941 118.7184 56.0414 48.3249 175.7219 45 G 3.7042 7.6954 113.2798 44.9959 0.0000 172.2646 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 S 8.33 4.36 0.00 3.85 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 3 T 7.99 3.90 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 4 N 6.88 4.03 0.00 2.94 3.15 0.00 0.00 6.06 7.75 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 5 P 0.00 4.93 0.00 2.19 1.15 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 6 K 8.56 4.41 0.00 1.70 1.73 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.34 7.81 7 P 0.00 4.11 0.00 2.17 2.13 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 8 Q 8.40 3.80 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.12 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 9 R 7.93 3.80 0.00 1.96 1.91 0.00 3.49 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 10 K 8.37 3.70 0.00 1.90 1.81 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.35 7.81 11 T 7.81 4.18 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 12 K 8.75 4.26 0.00 1.72 1.68 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.46 7.81 13 R 8.83 3.51 0.00 2.05 2.00 0.00 3.07 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 14 N 7.93 4.74 0.00 2.79 2.82 0.00 0.00 6.35 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 15 T 8.83 3.27 4.30 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 1.34 0.00 0.00 16 N 8.15 4.36 0.00 2.58 2.75 0.00 0.00 7.08 7.65 0.00 0.00 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 R 8.24 4.44 0.00 1.81 1.93 0.00 3.24 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 18 R 7.86 4.07 0.00 1.81 1.91 0.00 3.38 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 19 P 0.00 4.10 0.00 2.16 2.19 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 20 Q 8.22 4.21 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 5.97 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 21 D 9.52 3.90 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.37 3.31 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 0.68 0.00 0.00 0.90 0.00 0.00 23 K 7.28 3.59 0.00 1.99 1.30 0.00 1.85 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.62 7.81 24 F 8.87 4.42 0.00 3.04 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 25 P 0.00 4.65 0.00 2.17 2.09 0.00 3.77 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 1.92 1.90 0.00 26 G 6.90 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 0.00 0.00 0.00 0.00 27 G 8.07 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 0.00 0.00 0.00 0.00 28 G 8.05 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 29 Q 9.65 4.11 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 30 I 7.77 4.31 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.31 0.94 0.00 0.00 31 V 8.10 3.82 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 0.79 0.00 0.00 0.90 0.00 0.00 32 G 7.13 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 0.00 0.00 0.00 0.00 33 G 8.14 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 0.00 0.00 0.00 0.00 34 V 7.86 4.09 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 0.82 0.00 0.00 0.95 0.00 0.00 35 Y 7.99 4.06 0.00 3.01 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 36 L 7.25 4.65 0.00 1.73 1.68 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.14 4.56 0.00 1.54 1.51 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.49 0.00 2.20 2.01 0.00 3.96 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 39 R 7.60 5.47 0.00 1.84 1.92 0.00 3.29 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.36 0.00 40 R 6.87 4.66 0.00 1.74 1.65 0.00 3.26 0.00 0.00 3.27 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 41 G 7.56 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 42 P 0.00 4.74 0.00 2.04 2.02 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 43 R 9.37 4.06 0.00 1.95 1.98 0.00 3.26 0.00 0.00 3.27 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 44 L 7.29 4.74 0.00 1.73 1.66 0.91 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.70 3.70 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 0.00 0.00 0.00