NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3659 8.1693 120.6638 55.0937 43.4108 175.0928 6 T 4.6435 7.9114 108.1508 58.3658 71.1413 171.3997 7 E 4.4409 9.4926 119.7965 57.8404 30.6910 177.6865 8 T 4.9251 7.4969 115.3619 62.9700 71.2645 172.1985 9 M 4.6835 9.0211 126.9022 52.9747 34.0031 174.2960 10 P 5.0941 0.0000 0.0000 62.4665 33.2463 175.1425 11 F 5.2521 8.6303 115.4026 55.4339 41.6371 173.3655 12 R 5.2889 8.7337 115.6661 54.7903 32.5303 174.0992 13 M 5.0671 9.2189 120.3539 54.0494 36.0214 173.8457 14 T 5.1136 8.6049 114.5315 60.2500 71.5683 172.6601 15 M 4.9460 9.1242 123.2809 54.0142 36.4198 172.9838 16 E 4.8640 8.3139 123.0895 54.6230 33.1849 174.5743 17 G 3.7427 7.4209 110.7774 46.0921 0.0000 172.0325 18 T 5.3295 8.3445 115.5718 61.7262 72.1702 174.2117 19 V 4.1643 8.8471 125.7052 62.0087 33.6617 175.0725 20 N 4.1817 9.9840 125.2562 54.2612 36.0772 175.4399 21 G 3.8234 8.4496 105.7629 45.5083 0.0000 173.7479 22 H 4.6771 8.1283 118.3958 55.1269 29.0905 174.0960 23 H 5.2859 8.7007 122.4815 55.5061 30.3046 174.4592 24 F 5.2230 8.7091 116.1420 55.8649 41.9015 173.1417 25 K 5.1861 9.3184 118.0885 55.0939 36.4351 175.3944 26 C 5.6018 9.4446 120.9619 58.2464 32.6223 173.1059 27 T 5.2007 9.0215 111.2443 60.1814 71.9869 172.9970 28 G 4.6284 9.0779 108.6853 45.0175 0.0000 171.5126 29 K 4.8958 8.9059 122.1109 55.2037 36.3271 175.4534 30 G 3.6594 7.9648 112.7826 46.0630 0.0000 171.3369 31 E 5.0844 8.2983 116.2491 55.5834 33.5623 174.2542 32 G 4.3727 9.0743 106.9752 45.8686 0.0000 171.5278 33 N 5.4349 9.0145 119.3151 50.6991 38.8907 173.7069 34 P 4.0615 0.0000 0.0000 65.3681 31.5579 178.2294 35 F 4.5735 7.7896 114.6550 59.1723 39.2960 176.3024 36 E 4.2725 8.5553 118.2389 56.1514 29.8849 176.6009 37 G 3.8928 8.3233 107.0023 46.4683 0.0000 173.2275 38 T 4.9076 7.5475 108.6083 59.7788 71.9062 172.5672 39 Q 5.1805 8.3092 119.1761 55.7233 31.5552 172.9782 40 D 5.1773 9.1841 119.8533 53.1084 45.2946 174.4753 41 M 5.1715 8.6352 117.6164 54.0660 34.7780 173.7901 42 K 4.6735 9.0792 119.7178 54.7354 35.0493 175.2824 43 I 5.0545 8.2985 124.4620 59.4080 40.1232 174.3503 44 E 4.5924 9.2009 127.7307 54.1990 32.4907 174.8838 45 V 4.4463 8.4805 127.3091 62.7020 31.3624 175.2220 46 I 4.3708 8.7785 122.4112 61.6375 39.0754 175.8445 47 E 4.5701 7.9137 121.7023 55.5035 33.9389 176.1524 48 G 4.0379 8.5940 110.2082 46.7667 0.0000 173.5638 49 G 4.0105 7.7044 107.8023 42.6879 0.0000 172.3691 50 P 4.2617 0.0000 0.0000 61.9535 31.8206 176.4263 51 L 3.6192 8.2990 121.4101 54.9940 41.6957 175.0027 52 P 4.6417 0.0000 0.0000 62.2697 31.4310 175.1788 53 F 4.8317 6.7773 111.7198 55.4363 40.7049 173.5643 54 A 4.0737 8.7123 124.3987 52.2527 18.6650 178.6187 55 F 4.0726 8.9811 125.2102 61.2242 39.4027 176.5956 56 D 4.5931 8.4865 118.6269 57.5787 40.3462 178.5535 57 I 3.8723 7.4470 111.7482 62.7211 37.9180 177.1537 58 L 4.2912 7.8244 120.5000 55.0700 41.8420 178.3872 59 S 4.0517 7.3194 115.9293 61.9244 62.8295 176.4714 60 T 4.1784 7.7852 106.2576 62.9475 68.7409 174.7890 61 S 4.5708 7.7722 117.5841 59.0449 64.0073 173.9603 62 C 4.3933 7.7411 123.0635 59.9906 27.8276 173.2949 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 L 8.17 4.37 0.00 1.44 1.66 0.77 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.91 4.64 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 1.27 0.00 0.00 7 E 9.49 4.44 0.00 2.32 2.41 0.00 0.00 0.00 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 2.39 0.00 8 T 7.50 4.93 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 1.26 0.00 0.00 9 M 9.02 4.68 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.78 0.00 10 P 0.00 5.09 0.00 2.02 1.98 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 11 F 8.63 5.25 0.00 3.08 3.11 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 12 R 8.73 5.29 0.00 1.81 1.91 0.00 2.99 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 13 M 9.22 5.07 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 14 T 8.60 5.11 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 15 M 9.12 4.95 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 16 E 8.31 4.86 0.00 1.90 1.66 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 2.02 2.16 0.00 17 G 7.42 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.34 5.33 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 1.11 0.00 0.00 19 V 8.85 4.16 1.34 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 0.48 0.00 0.00 0.67 0.00 0.00 20 N 9.98 4.18 0.00 2.85 2.86 0.00 0.00 7.31 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 21 G 8.45 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.13 4.68 0.00 3.57 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.70 5.29 0.00 3.15 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.71 5.22 0.00 3.31 3.21 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 0.00 25 K 9.32 5.19 0.00 1.74 1.71 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.30 1.38 7.81 26 C 9.44 5.60 0.00 3.02 2.94 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 0.00 0.00 0.00 27 T 9.02 5.20 4.27 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 1.25 0.00 0.00 28 G 9.08 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.91 4.90 0.00 1.77 1.52 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.31 7.81 30 G 7.96 3.66 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 0.00 0.00 0.00 31 E 8.30 5.08 0.00 2.09 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 2.10 2.24 0.00 32 G 9.07 4.37 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 0.00 0.00 0.00 33 N 9.01 5.43 0.00 2.78 2.76 0.00 0.00 7.14 7.25 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 34 P 0.00 4.06 0.00 1.08 1.70 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 35 F 7.79 4.57 0.00 3.07 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 36 E 8.56 4.27 0.00 2.14 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 0.00 2.32 2.45 0.00 37 G 8.32 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 0.00 0.00 0.00 38 T 7.55 4.91 4.27 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 1.23 0.00 0.00 39 Q 8.31 5.18 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 40 D 9.18 5.18 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.64 5.17 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 42 K 9.08 4.67 0.00 1.64 1.69 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.34 7.81 43 I 8.30 5.05 1.76 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 1.51 0.62 1.13 0.00 0.00 44 E 9.20 4.59 0.00 1.96 1.76 0.00 0.00 0.00 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 2.19 0.00 45 V 8.48 4.45 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 0.94 0.00 0.00 0.91 0.00 0.00 46 I 8.78 4.37 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.94 0.00 0.00 47 E 7.91 4.57 0.00 2.02 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 48 G 8.59 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 49 G 7.70 4.01 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 0.00 0.00 0.00 50 P 0.00 4.26 0.00 2.12 2.02 0.00 3.77 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 1.95 1.96 0.00 51 L 8.30 3.62 0.00 1.33 1.11 0.61 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.64 0.00 1.99 2.00 0.00 3.33 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 53 F 6.78 4.83 0.00 3.04 2.99 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 54 A 8.71 4.07 1.36 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 0.00 0.00 55 F 8.98 4.07 0.00 3.05 3.04 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 56 D 8.49 4.59 0.00 2.76 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 57 I 7.45 3.87 1.79 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 1.86 0.47 0.89 0.00 0.00 58 L 7.82 4.29 0.00 0.73 1.43 0.73 0.93 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 59 S 7.32 4.05 0.00 3.93 3.94 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 0.00 0.00 0.00 60 T 7.79 4.18 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 1.19 0.00 0.00 61 S 7.77 4.57 0.00 4.02 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.74 4.39 0.00 3.13 2.97 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