NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5531 0.0000 0.0000 62.4220 33.7343 174.4336 2 F 5.1072 8.7140 122.8819 56.1443 42.1585 172.3965 3 I 4.2443 8.3769 126.9372 59.2688 40.8732 173.2432 4 N 5.0232 8.4768 125.6300 51.7510 40.8512 173.4494 5 I 4.4918 8.8290 127.6777 59.4737 39.8748 174.6130 6 K 5.1988 8.7765 126.7883 54.5069 34.3287 175.4382 7 L 4.7967 8.9660 124.1826 54.4640 44.8443 174.6812 8 V 4.9872 7.7932 118.6228 59.5283 32.9579 173.4801 9 P 4.5023 0.0000 0.0000 63.3382 32.0846 175.5544 10 E 4.3486 9.4025 126.5412 56.5534 33.0745 175.4013 11 N 4.0543 9.7643 124.0439 53.6709 34.6270 171.2113 12 G 3.9592 8.0916 103.6854 46.1372 0.0000 172.6103 13 G 4.1722 7.8633 108.8981 42.5299 0.0000 171.4475 14 P 4.9340 0.0000 0.0000 62.3037 32.4765 176.8678 15 T 4.3428 9.3603 112.4951 60.9256 71.4060 175.6628 16 N 4.2888 8.5588 117.9730 56.4384 38.4485 177.2652 17 E 3.9471 8.0896 120.2894 59.3516 29.8363 178.7547 18 Q 4.0254 7.9242 117.7167 58.8275 28.6748 178.7721 19 K 3.9867 8.3098 119.7899 59.4580 31.9853 179.1632 20 Q 3.9639 8.1262 119.9196 59.2652 28.8825 178.3049 21 Q 4.0220 8.1027 119.1471 58.8033 28.6748 178.8178 22 L 3.9777 7.9072 120.1381 57.6273 41.8149 179.4463 23 I 3.6277 8.0288 120.1092 64.4727 37.0498 178.1861 24 E 4.0376 8.6040 120.6104 59.0165 29.4782 178.9494 25 G 3.5774 8.2789 105.9881 47.9774 0.0000 175.8060 26 V 3.6068 8.1818 121.8823 65.6062 31.3497 178.2925 27 S 4.1358 7.9907 114.6370 61.7285 62.6070 176.4382 28 D 4.3896 8.4052 121.7325 56.8654 40.4855 178.6135 29 L 3.9180 7.7759 121.1478 58.4262 42.1163 178.8032 30 M 4.1358 7.9589 120.7370 59.1926 31.8209 179.9071 31 V 3.7413 7.5847 119.5018 65.8267 31.6024 180.2870 32 K 4.1215 8.0594 119.7292 59.2079 32.1471 178.7815 33 V 3.8689 8.1541 117.7170 64.6746 31.7446 176.4627 34 L 4.5907 7.7768 114.5740 53.5396 42.6613 175.8186 35 N 4.9234 8.0566 113.8473 53.0170 36.0232 174.4541 36 K 4.1298 7.9963 116.0993 56.2553 33.0765 176.7502 37 N 4.6593 8.3805 118.8650 51.8077 38.1100 174.8987 38 K 3.7617 8.7448 126.1734 59.8698 32.5871 179.0169 39 A 3.9420 8.1474 121.2432 54.6079 18.2563 177.9122 40 S 4.6034 8.0887 107.8211 58.1598 63.4176 173.9228 41 I 4.1999 7.7246 123.4195 61.4573 37.3595 175.4104 42 V 4.4449 8.8393 127.9482 61.1869 33.6928 174.6445 43 V 4.7820 8.2963 126.1314 61.1557 34.7885 174.5010 44 I 4.6088 8.4947 127.2051 59.7066 40.9393 174.0927 45 I 4.8364 8.5128 128.0292 59.8587 38.8093 174.6570 46 D 4.9298 9.4337 127.8763 52.6471 43.1340 175.2805 47 E 4.9467 8.8195 123.2878 55.0634 30.9286 175.4267 48 V 4.3282 9.1106 126.2718 60.8389 33.6186 174.9627 49 D 4.6158 8.7940 127.4362 54.1365 41.9001 177.0137 50 S 4.0107 8.8465 120.0820 61.2453 62.8012 175.5567 51 N 4.7024 8.8417 116.8728 54.0686 38.6811 175.2473 52 N 4.8963 8.7710 115.1121 52.7056 39.3910 173.4257 53 Y 4.5390 7.9725 120.5239 55.4646 41.0468 174.3895 54 G 4.4275 8.3892 115.4509 43.6040 0.0000 171.9569 55 L 4.4883 8.9375 124.5321 54.4056 44.7671 176.8693 56 G 3.8521 9.3579 113.5646 46.0520 0.0000 173.8166 57 G 3.9589 9.0340 108.8353 45.4664 0.0000 173.9978 58 E 4.7667 7.8220 114.6560 52.8820 33.9305 180.2325 59 S 4.9810 8.3026 114.9222 58.3906 65.4097 175.7172 60 V 3.6584 8.6620 122.6147 66.0599 31.0586 178.1670 61 H 4.1312 8.2999 118.3868 59.6222 29.6116 176.7421 62 H 4.1143 8.3069 121.0032 59.7914 30.0109 177.5298 63 L 4.2358 8.0792 124.3076 59.4265 40.6465 182.1340 64 R 4.2919 8.0441 117.4741 58.3072 30.0944 178.5196 65 Q 4.0910 7.5622 117.1132 57.5076 28.7320 176.2274 66 K 4.1427 7.6700 123.9207 56.5193 32.2165 176.5216 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 P 0.00 4.55 0.00 2.11 2.07 0.00 3.53 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 2 F 8.71 5.11 0.00 3.05 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 3 I 8.38 4.24 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.32 0.78 0.00 0.00 4 N 8.48 5.02 0.00 2.59 2.67 0.00 0.00 7.03 7.94 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 5 I 8.83 4.49 1.84 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 1.19 0.67 0.91 0.00 0.00 6 K 8.78 5.20 0.00 1.69 1.81 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.50 1.43 7.81 7 L 8.97 4.80 0.00 1.66 1.71 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.79 4.99 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 1.18 0.00 0.00 0.70 0.00 0.00 9 P 0.00 4.50 0.00 1.97 1.99 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 10 E 9.40 4.35 0.00 1.85 1.70 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 2.17 2.22 0.00 11 N 9.76 4.05 0.00 2.90 2.67 0.00 0.00 6.85 7.51 0.00 0.00 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 G 8.09 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 0.00 0.00 0.00 13 G 7.86 4.17 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 0.00 0.00 0.00 14 P 0.00 4.93 0.00 2.18 2.04 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 T 9.36 4.34 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 1.23 0.00 0.00 16 N 8.56 4.29 0.00 2.75 2.91 0.00 0.00 6.44 7.66 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 17 E 8.09 3.95 0.00 2.07 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 2.37 2.45 0.00 18 Q 7.92 4.03 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 19 K 8.31 3.99 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.68 7.81 20 Q 8.13 3.96 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 21 Q 8.10 4.02 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 22 L 7.91 3.98 0.00 1.89 1.68 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.03 3.63 2.00 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 1.39 1.30 0.90 0.00 0.00 24 E 8.60 4.04 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 25 G 8.28 3.58 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 0.00 26 V 8.18 3.61 2.12 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 0.97 0.00 0.00 0.95 0.00 0.00 27 S 7.99 4.14 0.00 4.07 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 28 D 8.41 4.39 0.00 2.81 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 29 L 7.78 3.92 0.00 1.88 1.84 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 M 7.96 4.14 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.90 0.00 31 V 7.58 3.74 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 0.78 0.00 0.00 0.93 0.00 0.00 32 K 8.06 4.12 0.00 1.73 2.04 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 33 V 8.15 3.87 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 0.89 0.00 0.00 0.98 0.00 0.00 34 L 7.78 4.59 0.00 1.79 1.64 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.06 4.92 0.00 2.85 2.89 0.00 0.00 7.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.00 4.13 0.00 1.75 1.77 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.37 7.81 37 N 8.38 4.66 0.00 2.80 2.73 0.00 0.00 6.59 7.09 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 38 K 8.74 3.76 0.00 1.97 2.09 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.47 7.81 39 A 8.15 3.94 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 40 S 8.09 4.60 0.00 4.00 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 41 I 7.72 4.20 1.97 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 1.12 0.82 0.90 0.00 0.00 42 V 8.84 4.44 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 1.21 0.00 0.00 1.02 0.00 0.00 43 V 8.30 4.78 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 0.84 0.00 0.00 0.86 0.00 0.00 44 I 8.49 4.61 1.92 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 1.00 0.00 0.00 45 I 8.51 4.84 1.87 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 1.32 0.53 0.91 0.00 0.00 46 D 9.43 4.93 0.00 2.58 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.82 4.95 0.00 1.86 1.91 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 2.25 2.30 0.00 48 V 9.11 4.33 2.33 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 1.04 0.00 0.00 1.05 0.00 0.00 49 D 8.79 4.62 0.00 2.73 2.72 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 50 S 8.85 4.01 0.00 4.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.84 4.70 0.00 2.84 2.91 0.00 0.00 6.84 7.91 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 52 N 8.77 4.90 0.00 2.79 2.83 0.00 0.00 6.65 7.74 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 53 Y 7.97 4.54 0.00 3.05 2.72 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 54 G 8.39 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.94 4.49 0.00 1.84 1.57 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.36 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 57 G 9.03 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 0.00 0.00 0.00 58 E 7.82 4.77 0.00 1.85 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 2.13 2.08 0.00 59 S 8.30 4.98 0.00 4.27 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 60 V 8.66 3.66 2.27 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 0.98 0.00 0.00 0.91 0.00 0.00 61 H 8.30 4.13 0.00 3.34 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.31 4.11 0.00 3.24 3.47 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.08 4.24 0.00 1.71 1.65 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.04 4.29 0.00 1.90 1.99 0.00 3.12 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 65 Q 7.56 4.09 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 66 K 7.67 4.14 0.00 1.87 1.70 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81