NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.4549 8.3049 118.1857 55.4768 32.5525 174.5048 7 T 4.0154 7.7702 117.0884 61.9941 72.4286 171.8278 8 Y 4.5035 7.0598 121.7154 57.6759 39.7612 176.1391 9 T 4.2077 8.8850 112.9807 61.2554 70.9316 175.5628 10 R 3.8635 8.5432 121.3654 59.9190 30.0582 177.5852 11 Y 4.0548 8.0839 118.4741 60.9558 38.6791 177.7805 12 Q 3.3961 8.0833 118.6549 59.3418 28.8731 179.3692 13 T 3.5604 7.9969 116.6298 66.4404 68.4399 176.0607 14 L 3.8314 8.0168 122.3997 58.3474 42.1120 178.6722 15 E 3.7681 7.9581 119.2150 59.0461 29.4352 178.7357 16 L 3.5925 7.6485 119.3281 57.6269 41.4738 179.1884 17 E 4.1986 8.0166 119.1726 59.1009 29.5159 178.4242 18 K 3.8298 8.3721 120.2109 59.7885 32.2126 178.2833 19 E 4.2093 8.8053 119.6876 59.2964 29.3665 178.5159 20 F 4.5010 8.6209 121.7086 61.0019 39.5133 176.5199 21 H 4.2924 8.9133 115.1772 58.8859 28.6760 177.0590 22 F 4.4640 8.3851 121.1265 60.0734 39.7675 174.5781 23 N 4.6086 8.2535 115.7266 51.8126 42.0625 174.8542 24 R 3.3209 7.9449 121.8924 57.1070 30.8102 176.3206 25 Y 4.6214 7.4686 114.4244 55.9665 40.0124 175.1311 26 L 4.0717 8.2518 126.1585 53.5944 41.6053 177.4092 27 T 4.1587 8.0540 118.4011 60.9812 69.6063 174.3528 28 R 3.8237 8.4868 122.0901 59.7907 29.7541 178.1422 29 R 3.7787 7.7725 117.2925 59.4728 30.3334 178.3428 30 R 3.8326 7.8776 118.0326 59.3604 30.0860 178.0137 31 R 3.7834 8.2633 118.9068 59.4956 29.9593 178.4652 32 I 3.5839 7.6115 119.2703 64.3963 37.0842 177.9212 33 E 3.8285 8.2669 119.5813 59.6289 29.3818 179.3334 34 I 3.6159 8.1634 118.3851 64.1792 38.0063 177.6466 35 A 4.1046 8.3493 121.9209 55.4682 17.8628 179.4924 36 H 4.1515 8.4315 114.0819 59.1269 28.9797 177.3420 37 A 4.1817 8.1698 121.5010 55.2492 18.1692 179.4921 38 L 4.1804 8.3178 117.0194 56.7374 43.3162 176.3818 39 S 3.7825 8.1069 112.7464 58.4720 60.5825 168.5608 40 L 4.8842 7.3530 124.1299 54.1445 45.9905 175.6681 41 T 4.3226 8.2845 111.4703 62.6357 67.6135 174.7929 42 E 4.0688 8.2250 124.5547 56.8430 29.4322 175.5924 43 R 3.9073 8.0202 117.2916 59.8371 30.0071 177.9156 44 Q 3.9995 8.1055 118.3155 59.3130 29.0575 178.2908 45 I 3.7481 7.5610 120.1995 64.1525 37.1879 177.9810 46 K 3.9849 8.3917 120.7746 59.7138 31.9920 178.5059 47 I 3.7414 8.1141 120.2396 64.3067 37.1342 177.9172 48 W 4.0428 8.7464 129.1948 60.7465 30.2680 177.8534 49 F 3.8340 8.9946 116.4719 60.4996 38.6292 177.2990 50 Q 4.1780 8.5299 119.1614 59.4753 28.9539 177.8609 51 N 4.1693 8.3686 117.8882 56.2923 38.2902 177.0604 52 R 2.9842 7.4057 119.4267 59.2353 29.9427 178.4819 53 R 4.2585 7.8280 117.6249 59.7368 29.9667 179.0510 54 M 4.1514 8.0081 116.1508 57.3145 32.1958 176.9256 55 K 4.4434 7.8414 118.9937 55.8983 32.6361 177.6067 56 W 4.4080 8.1501 127.5562 59.4795 30.6649 177.2742 57 K 3.3540 7.9603 117.0493 57.3169 31.9992 177.5847 58 K 4.2757 7.7186 116.1266 57.4214 32.7559 176.8534 59 E 4.4294 7.5460 117.8078 57.2134 32.3709 176.7280 60 N 4.5663 7.9810 117.7714 52.6338 36.4918 174.0082 61 K 4.4998 7.3083 118.8944 56.2953 34.8735 175.7523 62 T 3.6340 9.1298 119.5423 65.4421 67.0738 174.1152 63 K 4.0009 7.7603 119.4341 59.3613 32.9766 178.6240 64 G 3.9331 7.3697 108.2943 43.8420 0.0000 172.9171 65 E 4.0833 7.8499 121.3009 58.6260 31.1125 176.8509 66 P 4.4609 0.0000 0.0000 60.1321 30.2823 176.1402 67 G 3.9887 7.9565 111.3558 46.5278 0.0000 172.0460 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 6 M 8.30 4.45 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 7 T 7.77 4.02 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 1.12 0.00 0.00 8 Y 7.06 4.50 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.88 4.21 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 1.33 0.00 0.00 10 R 8.54 3.86 0.00 1.90 2.03 0.00 3.39 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 11 Y 8.08 4.05 0.00 3.17 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 12 Q 8.08 3.40 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 13 T 8.00 3.56 4.38 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 1.36 0.00 0.00 14 L 8.02 3.83 0.00 1.82 1.56 0.98 0.87 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 15 E 7.96 3.77 0.00 1.18 1.47 0.00 0.00 0.00 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 2.26 0.00 16 L 7.65 3.59 0.00 0.70 0.13 -0.32 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.02 4.20 0.00 2.22 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 2.57 2.59 0.00 18 K 8.37 3.83 0.00 1.80 2.07 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.46 7.81 19 E 8.81 4.21 0.00 2.30 2.43 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 2.41 2.67 0.00 20 F 8.62 4.50 0.00 3.11 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.91 4.29 0.00 3.38 3.46 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.39 4.46 0.00 3.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.25 4.61 0.00 2.01 2.28 0.00 0.00 7.16 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 24 R 7.94 3.32 0.00 0.67 0.66 0.00 2.65 0.00 0.00 2.78 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 25 Y 7.47 4.62 0.00 2.87 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.25 4.07 0.00 1.26 1.37 0.12 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.05 4.16 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 1.18 0.00 0.00 28 R 8.49 3.82 0.00 1.86 1.91 0.00 3.39 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 29 R 7.77 3.78 0.00 1.86 1.88 0.00 3.41 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 30 R 7.88 3.83 0.00 1.96 1.87 0.00 3.39 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 31 R 8.26 3.78 0.00 1.91 1.96 0.00 3.12 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 32 I 7.61 3.58 2.02 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 1.48 0.64 0.66 0.00 0.00 33 E 8.27 3.83 0.00 2.05 1.98 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 2.30 2.29 0.00 34 I 8.16 3.62 1.84 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 1.39 1.00 0.90 0.00 0.00 35 A 8.35 4.10 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.43 4.15 0.00 3.26 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.17 4.18 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 38 L 8.32 4.18 0.00 1.69 1.68 0.67 0.79 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 39 S 8.11 3.78 0.00 4.14 4.06 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 0.00 0.00 0.00 0.00 40 L 7.35 4.88 0.00 1.51 1.50 0.51 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.28 4.32 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 1.24 0.00 0.00 42 E 8.22 4.07 0.00 2.20 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 0.00 2.23 2.22 0.00 43 R 8.02 3.91 0.00 1.94 2.11 0.00 3.27 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 44 Q 8.11 4.00 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 45 I 7.56 3.75 2.01 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.93 0.00 0.00 46 K 8.39 3.98 0.00 1.81 2.04 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.68 7.81 47 I 8.11 3.74 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.44 1.02 0.00 0.00 48 W 8.75 4.04 0.00 3.36 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.99 3.83 0.00 3.52 3.36 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 0.00 50 Q 8.53 4.18 0.00 2.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 51 N 8.37 4.17 0.00 2.45 2.69 0.00 0.00 6.70 7.22 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 52 R 7.41 2.98 0.00 0.67 1.01 0.00 2.21 0.00 0.00 2.68 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 53 R 7.83 4.26 0.00 2.07 2.14 0.00 3.31 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.10 0.00 54 M 8.01 4.15 0.00 1.97 2.17 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 2.63 2.54 0.00 55 K 7.84 4.44 0.00 1.56 1.56 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.29 1.37 7.81 56 W 8.15 4.41 0.00 3.26 3.30 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 57 K 7.96 3.35 0.00 1.58 1.71 0.00 0.61 0.00 0.00 1.26 0.00 0.00 2.51 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.25 1.34 7.81 58 K 7.72 4.28 0.00 1.67 1.77 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.51 7.81 59 E 7.55 4.43 0.00 1.87 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 2.29 2.32 0.00 60 N 7.98 4.57 0.00 2.21 2.45 0.00 0.00 7.09 7.19 0.00 0.00 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 K 7.31 4.50 0.00 1.68 1.88 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.33 7.81 62 T 9.13 3.63 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 63 K 7.76 4.00 0.00 1.70 1.81 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.42 7.81 64 G 7.37 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 0.00 0.00 0.00 65 E 7.85 4.08 0.00 1.93 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 2.40 2.20 0.00 66 P 0.00 4.46 0.00 2.16 2.07 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 67 G 7.96 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