NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1321 8.0093 120.7866 61.0018 39.1808 174.4839 2 T 4.4618 8.2772 116.0296 59.3496 71.0517 171.6335 3 A 4.7049 8.8464 126.4569 50.3604 23.3839 177.0698 4 K 4.3326 8.2940 118.8453 55.0014 33.0604 175.7228 5 P 4.3367 0.0000 0.0000 62.0020 31.8249 176.5846 6 A 4.0127 8.5314 123.5965 52.7567 18.5365 178.3433 7 K 4.1901 8.7618 123.0974 59.1213 32.6917 177.7400 8 T 4.6128 7.3234 107.2180 58.1052 68.3678 170.8827 9 P 4.0647 0.0000 0.0000 64.2674 32.2519 176.2822 10 T 5.2264 8.4439 118.5527 60.9213 69.1166 175.1244 11 S 4.3673 8.4298 122.0480 57.4822 65.1748 173.0991 12 P 4.1969 0.0000 0.0000 65.5495 30.9855 178.9657 13 K 3.9334 7.9387 118.0037 59.5819 32.2592 178.5418 14 E 3.9826 8.1756 118.8800 59.5964 29.3358 179.4795 15 Q 3.9818 8.3824 118.0179 58.7979 28.6939 178.4934 16 A 4.0221 8.0974 121.8690 54.9963 18.2669 179.8599 17 I 3.7160 7.8114 118.4806 64.5315 37.1896 178.7773 18 G 3.6641 8.1962 106.6557 47.7343 0.0000 175.4117 19 L 3.9162 8.3335 123.1415 57.9422 42.0813 179.1852 20 S 4.0522 8.1358 115.2445 61.6441 62.8083 176.9310 21 V 3.6409 8.1652 121.2120 66.2295 31.4039 178.1872 22 T 4.0625 8.2953 115.6616 66.9069 68.3837 176.6603 23 F 4.1236 9.0690 120.0474 60.6049 38.8070 177.8177 24 L 4.1592 8.4800 119.0883 57.7239 41.2283 179.6231 25 S 4.1620 8.3008 113.2234 60.8103 61.9410 176.1295 26 F 4.2982 8.0239 120.5915 60.0182 39.1554 178.0597 27 L 4.2851 8.2198 118.6210 57.5362 41.3784 179.5335 28 L 4.0485 8.3214 119.2451 57.4136 41.6761 177.7303 29 P 4.3227 0.0000 0.0000 65.6191 31.3263 178.5340 30 A 4.2218 7.6500 116.8566 55.2262 18.2326 179.9335 31 G 3.6351 8.4692 104.3643 47.5366 0.0000 175.7268 32 W 4.1821 8.8001 131.1742 60.3373 30.5728 178.2425 33 V 3.7327 8.0317 116.7434 66.1992 31.2960 177.6667 34 L 4.1455 8.2732 118.8431 57.7848 41.1785 178.8988 35 Y 3.8730 8.1083 119.1120 60.7807 39.1585 176.9838 36 H 4.1642 7.5932 115.1935 55.6153 28.6669 176.8845 37 L 3.9158 7.1498 124.0357 58.3691 41.5514 179.3619 38 D 4.3120 7.6697 117.8983 57.2011 40.5928 178.3478 39 N 4.3334 7.4836 115.8408 55.7782 38.4234 176.6714 40 Y 4.5916 7.2209 116.9988 60.5997 38.5937 177.1649 41 K 4.3258 7.6206 118.0740 58.1498 32.9182 177.4338 42 K 4.4437 7.0674 121.9790 54.3241 32.4788 175.9581 43 S 4.2807 8.2319 119.6300 58.8937 63.7121 175.6579 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 8.28 4.46 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 8.85 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 8.29 4.33 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.34 0.00 2.04 1.98 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 4.19 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 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.32 4.61 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 4.06 0.00 2.05 2.06 0.00 3.64 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 2.04 2.28 0.00 10 T 8.44 5.23 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 1.24 0.00 0.00 11 S 8.43 4.37 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 4.20 0.00 2.16 2.13 0.00 3.59 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 2.10 2.13 0.00 13 K 7.94 3.93 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 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 8.18 3.98 0.00 2.32 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 2.33 2.35 0.00 15 Q 8.38 3.98 0.00 2.20 2.12 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 2.37 2.59 0.00 16 A 8.10 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.72 2.05 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 1.45 0.90 0.91 0.00 0.00 18 G 8.20 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 19 L 8.33 3.92 0.00 1.70 1.70 0.64 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.14 4.05 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 8.17 3.64 2.25 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 1.08 0.00 0.00 1.03 0.00 0.00 22 T 8.30 4.06 4.62 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 1.37 0.00 0.00 23 F 9.07 4.12 0.00 3.18 3.12 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 0.00 0.00 0.00 0.00 24 L 8.48 4.16 0.00 1.95 1.78 0.98 0.74 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 25 S 8.30 4.16 0.00 4.04 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 8.02 4.30 0.00 3.30 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 8.22 4.29 0.00 1.82 1.78 0.99 0.53 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 28 L 8.32 4.05 0.00 1.78 1.76 0.95 1.34 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 4.32 0.00 2.18 2.11 0.00 3.81 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 2.14 0.00 30 A 7.65 4.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.47 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 8.80 4.18 0.00 3.52 3.51 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 0.00 0.00 0.00 0.00 33 V 8.03 3.73 2.39 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 1.09 0.00 0.00 1.35 0.00 0.00 34 L 8.27 4.15 0.00 2.10 1.73 0.97 0.73 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 35 Y 8.11 3.87 0.00 2.93 2.95 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 36 H 7.59 4.16 0.00 2.26 2.20 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.15 3.92 0.00 1.74 1.65 0.91 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.67 4.31 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 4.33 0.00 2.32 2.73 0.00 0.00 7.03 6.74 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 40 Y 7.22 4.59 0.00 3.06 2.88 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 41 K 7.62 4.33 0.00 1.72 1.92 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.69 7.81 42 K 7.07 4.44 0.00 1.76 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 1.33 1.41 7.81 43 S 8.23 4.28 0.00 3.98 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