NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1357 8.0093 120.7866 61.0109 39.1790 174.5177 2 T 4.4879 8.2620 115.9953 59.3779 71.2344 171.5248 3 A 4.7037 7.9274 125.1223 50.3236 23.3625 177.1114 4 K 4.3513 8.2783 118.6548 55.1804 33.9278 175.2668 5 P 4.3125 0.0000 0.0000 62.0139 31.8216 176.4022 6 A 4.0053 8.5265 123.0737 52.8260 18.5021 178.3968 7 K 4.1986 8.7571 123.0665 59.0750 32.6185 177.6973 8 T 4.5931 7.3223 107.4013 57.9967 68.3952 170.7002 9 P 4.0672 0.0000 0.0000 64.2992 32.1959 176.2962 10 T 4.6504 8.4296 118.5755 60.8079 68.9606 175.0531 11 S 4.3764 8.2482 122.0608 57.3582 65.1434 173.0456 12 P 4.1950 0.0000 0.0000 65.5774 31.0211 178.8689 13 K 3.8948 7.9511 117.8396 59.6936 31.8429 178.5932 14 E 4.0038 8.0776 118.4720 59.4550 29.2733 179.4700 15 Q 3.9746 8.2736 118.1468 58.7873 28.6973 178.4166 16 A 3.9732 8.1629 121.9311 55.0608 18.2682 179.8414 17 I 3.7105 7.7766 118.3448 64.5025 37.1748 178.8448 18 G 3.6196 8.1629 106.6096 47.6600 0.0000 175.4437 19 L 3.8551 8.2619 123.2011 57.8896 42.0468 179.1174 20 S 3.9978 8.0789 115.2358 61.7288 62.8415 176.9806 21 V 3.6307 8.0883 121.0616 66.1909 31.3807 178.1695 22 T 4.0501 8.2711 115.6538 66.9268 68.3583 176.6848 23 F 4.2459 9.0000 120.0866 60.6400 38.8116 177.8223 24 L 4.1585 8.5480 119.1965 57.6272 41.1963 179.5842 25 S 4.1677 8.2921 113.4960 60.8734 62.4652 176.1314 26 F 4.3353 8.0493 120.4873 60.0215 39.1276 178.0476 27 L 4.2413 8.3003 118.6877 57.4700 41.3724 179.4979 28 L 4.0490 8.3249 119.2797 57.3754 41.6774 177.6933 29 P 4.2817 0.0000 0.0000 65.6148 31.3482 178.4766 30 A 4.2220 7.6053 116.3695 55.2659 18.2318 179.9028 31 G 3.6579 8.4437 104.3028 47.5562 0.0000 175.6718 32 W 4.1886 8.7420 131.1215 60.3362 30.5926 178.1229 33 V 3.8323 8.1059 116.6420 66.3208 31.1967 177.6709 34 L 4.1667 8.2796 118.6994 57.8624 41.1841 178.9428 35 Y 3.9236 8.1282 119.0248 60.6539 38.9385 176.7359 36 H 4.1438 7.7035 115.3106 55.6235 28.7153 176.9448 37 L 3.9098 7.1298 124.6631 58.1289 41.5423 179.0607 38 D 4.2395 7.6486 117.2644 57.2426 41.0265 177.8254 39 N 4.3622 7.3913 115.7553 55.7374 38.4213 176.6101 40 Y 4.6064 7.2049 117.0307 60.5919 38.6125 177.1425 41 K 4.3233 7.6736 118.0535 58.1487 32.9858 177.4071 42 K 4.4568 7.1234 121.0623 54.1995 32.4199 175.9423 43 S 4.2646 8.2123 119.3851 58.8222 63.7075 175.4180 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 4.14 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 8.26 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 7.93 4.70 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.35 0.00 1.88 1.82 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.45 7.81 5 P 0.00 4.31 0.00 2.06 2.03 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 4.01 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 8.76 4.20 0.00 1.76 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.32 4.59 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 4.07 0.00 2.05 2.06 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 2.04 2.29 0.00 10 T 8.43 4.65 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 8.25 4.38 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.19 0.00 2.16 2.13 0.00 3.59 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 2.10 2.14 0.00 13 K 7.95 3.89 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.47 7.81 14 E 8.08 4.00 0.00 2.24 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 2.32 2.34 0.00 15 Q 8.27 3.97 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 16 A 8.16 3.97 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 17 I 7.78 3.71 2.04 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 1.44 0.86 0.91 0.00 0.00 18 G 8.16 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.86 0.00 1.73 1.65 0.60 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.08 4.00 0.00 4.04 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.63 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 1.07 0.00 0.00 1.03 0.00 0.00 22 T 8.27 4.05 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 1.37 0.00 0.00 23 F 9.00 4.25 0.00 2.99 3.13 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 0.00 0.00 0.00 0.00 24 L 8.55 4.16 0.00 1.89 1.78 0.96 1.08 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 25 S 8.29 4.17 0.00 4.05 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 26 F 8.05 4.34 0.00 3.27 3.09 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 0.00 0.00 0.00 0.00 27 L 8.30 4.24 0.00 1.79 1.78 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.32 4.05 0.00 1.77 1.76 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.28 0.00 2.17 2.09 0.00 3.82 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 2.21 2.13 0.00 30 A 7.61 4.22 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 31 G 8.44 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 32 W 8.74 4.19 0.00 3.54 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 3.83 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 1.10 0.00 0.00 1.34 0.00 0.00 34 L 8.28 4.17 0.00 2.05 1.76 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 8.13 3.92 0.00 2.97 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 36 H 7.70 4.14 0.00 2.36 2.19 0.00 5.88 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.13 3.91 0.00 1.73 1.65 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.65 4.24 0.00 2.59 2.47 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 0.00 0.00 0.00 39 N 7.39 4.36 0.00 2.30 2.73 0.00 0.00 7.05 8.78 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 40 Y 7.20 4.61 0.00 3.07 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.32 0.00 1.72 1.92 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.77 7.81 42 K 7.12 4.46 0.00 1.71 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.41 7.81 43 S 8.21 4.26 0.00 3.99 3.72 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