NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1314 8.0093 120.7866 61.0813 39.1576 174.3271 2 T 4.4922 8.1363 113.7023 59.4246 71.3882 171.2026 3 A 4.6505 7.8775 124.6083 50.5337 23.3487 176.9977 4 K 4.3700 8.2230 118.8517 55.1717 33.9192 175.1776 5 P 4.3314 0.0000 0.0000 61.9258 31.8087 176.4816 6 A 4.0166 8.5265 123.1510 52.8912 18.5896 178.4193 7 K 4.1903 8.7512 122.3865 58.9231 32.7255 177.6819 8 T 4.6049 7.3629 107.1740 58.1310 68.2668 171.1764 9 P 4.1364 0.0000 0.0000 64.2115 32.2915 176.4537 10 T 4.7218 8.4303 118.2636 60.9929 68.9683 175.2976 11 S 4.3893 8.2929 122.0725 57.0524 65.2154 172.9233 12 P 4.1763 0.0000 0.0000 65.9042 31.0164 178.5698 13 K 3.8624 8.0443 117.4423 59.8010 31.9677 178.5070 14 E 4.0186 8.1682 118.6449 59.3526 29.2401 179.4206 15 Q 3.9625 8.4785 118.4561 58.7409 28.7502 178.2914 16 A 3.9295 8.2687 122.1874 55.3304 18.2742 179.8150 17 I 3.7368 7.8240 118.2503 64.4132 37.1203 178.9173 18 G 3.5926 8.1071 106.5612 47.6250 0.0000 175.5077 19 L 3.8590 8.1893 123.3184 57.9039 42.1204 179.1449 20 S 4.0078 7.9992 115.0711 61.7475 62.8217 177.0358 21 V 3.6648 8.1344 121.1335 66.0509 31.0078 178.1697 22 T 4.0101 8.2693 115.8041 66.8048 68.3042 176.5880 23 F 4.1094 8.7889 119.8320 60.6895 38.9288 177.7042 24 L 4.0968 8.3717 118.8822 57.9079 41.1345 179.8421 25 S 4.2029 7.9932 113.5765 61.4197 63.0767 176.3389 26 F 4.2456 8.2170 120.5947 60.2420 38.9055 177.3571 27 L 4.3077 8.4644 118.8654 57.3570 41.4935 179.4648 28 L 4.0457 8.1989 119.0210 57.3480 41.6747 177.6684 29 P 4.2926 0.0000 0.0000 65.6433 31.3360 178.4563 30 A 4.2404 8.1962 119.1752 55.2772 18.3196 179.7653 31 G 3.6385 8.5707 104.4939 47.5347 0.0000 175.7280 32 W 4.1850 8.5163 130.2754 60.3379 30.9693 177.9019 33 V 4.0031 8.3412 118.1536 66.2621 31.0533 178.0519 34 L 4.0670 8.3126 118.8281 57.8732 41.2696 178.7188 35 Y 3.9491 8.3705 119.0718 60.1933 38.9463 176.9956 36 H 4.2687 7.3088 114.8952 55.1508 28.9666 176.3378 37 L 3.8630 7.2179 124.0825 58.0521 41.4525 178.8399 38 D 4.2207 7.7245 117.0471 57.6558 40.8943 178.1261 39 N 4.3432 7.6414 114.9060 56.9079 38.7131 175.9579 40 Y 4.3898 7.8009 118.5931 59.7867 37.5405 179.1102 41 K 4.2999 8.4666 122.3396 59.1004 33.0619 177.5299 42 K 4.6511 7.7147 116.6776 54.0635 32.1207 175.8689 43 S 4.4890 7.9019 119.4991 59.7472 65.0310 177.8268 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 I 8.01 4.13 1.87 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 1.47 1.35 0.91 0.00 0.00 2 T 8.14 4.49 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 3 A 7.88 4.65 1.21 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 0.00 0.00 4 K 8.22 4.37 0.00 1.88 1.83 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.45 7.81 5 P 0.00 4.33 0.00 2.06 2.02 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 6 A 8.53 4.02 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 7 K 8.75 4.19 0.00 1.76 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.36 4.60 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 9 P 0.00 4.14 0.00 2.05 2.05 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 10 T 8.43 4.72 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 11 S 8.29 4.39 0.00 4.04 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 12 P 0.00 4.18 0.00 2.16 2.16 0.00 3.60 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 2.11 2.16 0.00 13 K 8.04 3.86 0.00 1.77 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.47 7.81 14 E 8.17 4.02 0.00 2.28 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 2.32 2.34 0.00 15 Q 8.48 3.96 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 16 A 8.27 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.82 3.74 2.01 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 1.45 0.80 0.91 0.00 0.00 18 G 8.11 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 3.86 0.00 1.73 1.56 0.62 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.00 4.01 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 21 V 8.13 3.66 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.02 0.00 0.00 22 T 8.27 4.01 4.61 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 0.00 0.00 0.00 1.37 0.00 0.00 23 F 8.79 4.11 0.00 3.18 3.08 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 0.00 0.00 0.00 0.00 24 L 8.37 4.10 0.00 1.77 1.79 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.99 4.20 0.00 4.07 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 26 F 8.22 4.25 0.00 2.96 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 4.31 0.00 1.77 1.78 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.20 4.05 0.00 1.80 1.76 0.95 0.94 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 29 P 0.00 4.29 0.00 2.18 2.09 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 30 A 8.20 4.24 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 3.64 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 0.00 0.00 0.00 32 W 8.52 4.18 0.00 3.40 3.54 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 33 V 8.34 4.00 2.30 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 1.18 0.00 0.00 1.31 0.00 0.00 34 L 8.31 4.07 0.00 2.00 1.74 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.37 3.95 0.00 2.94 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 36 H 7.31 4.27 0.00 2.21 2.20 0.00 5.89 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.22 3.86 0.00 1.70 1.68 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.72 4.22 0.00 2.57 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.64 4.34 0.00 2.52 2.79 0.00 0.00 6.91 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 40 Y 7.80 4.39 0.00 3.17 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.30 0.00 1.96 1.85 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.46 7.81 42 K 7.71 4.65 0.00 1.64 1.83 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.39 7.81 43 S 7.90 4.49 0.00 4.21 3.76 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 0.00 0.00 0.00