NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.5809 8.1444 121.6932 57.2251 40.6758 173.2275 2 N 3.9256 8.3107 122.9048 52.8200 36.6599 172.0506 3 S 4.4146 7.7247 122.6697 55.7771 63.7824 173.2892 4 G 3.8885 7.7843 110.4415 46.0780 0.0000 168.2010 5 K 3.4388 8.2451 130.0897 55.1255 29.5825 175.5791 6 L 4.2521 7.7429 123.8471 54.0461 40.7524 177.2990 7 E 3.9801 8.2845 122.9522 58.0712 30.6525 177.9312 8 E 4.3930 7.5154 119.2329 54.8562 28.8198 175.0295 9 F 4.7825 7.5082 123.1337 58.1908 41.8175 174.0912 10 V 3.6151 8.5289 113.1256 62.2215 31.4740 176.0243 11 Q 4.2941 8.7374 124.8009 55.4088 27.8558 174.7735 12 G 3.7436 8.4063 109.0880 46.9223 0.0000 171.1761 13 N 3.9458 8.0742 120.3387 53.6953 35.2524 173.2757 14 L 4.4201 8.3289 120.0269 53.5393 41.9913 176.9765 15 E 3.7847 7.7559 115.0815 57.8090 28.9017 175.1110 16 R 4.6862 7.7629 113.8526 56.6855 30.9621 173.9965 17 E 4.5524 7.6790 121.8085 56.3199 31.2971 177.3983 18 C 4.5739 8.3841 119.0668 57.3250 40.6941 172.6256 19 M 4.1414 7.7810 120.7241 57.9991 32.4505 178.2939 20 E 3.9819 7.9877 117.4661 58.9325 29.6583 178.1023 21 E 4.1779 8.8159 124.3120 57.2854 30.5569 177.6107 22 K 4.4446 8.1720 115.0542 55.6006 30.9746 174.5690 23 C 4.2760 8.0922 113.9433 58.2690 36.8100 173.6078 24 S 4.3733 8.2434 110.3889 58.6560 62.8854 175.5292 25 F 3.7313 7.8746 123.4263 60.7295 37.1741 171.9201 26 E 3.6460 8.5796 114.4500 57.8179 26.2525 173.8074 27 E 3.8867 8.5306 119.3544 56.9391 27.5958 176.3465 28 A 4.8068 7.4699 122.2730 50.5805 16.5526 178.0245 29 R 4.2057 8.6430 121.9196 58.6419 31.2788 176.1425 30 E 4.5520 8.0698 119.8523 55.5767 30.8640 177.0427 31 V 4.8206 8.3842 108.6734 59.8253 31.5239 174.4562 32 F 4.1554 8.0411 118.7021 59.4761 37.9045 176.7321 33 E 4.4113 7.4315 128.1373 55.7947 28.7332 176.5612 34 N 5.3359 8.1698 134.7936 54.8637 38.5773 177.2641 35 T 3.9155 7.3141 112.7166 64.8472 67.4507 174.5278 36 E 4.3142 8.0743 118.1969 56.8632 29.4212 177.4795 37 R 4.1628 7.7349 120.7229 59.2056 30.8855 178.7144 38 T 4.7910 7.6417 115.0800 65.0402 68.7813 172.2648 39 T 3.6713 9.0131 115.1975 65.6970 68.1337 172.9739 40 E 3.6870 7.7133 120.7116 59.6727 30.2666 179.0119 41 F 4.2007 8.2201 118.8512 61.4493 39.5907 177.3377 42 W 3.2246 7.6669 114.1806 57.7085 27.9295 177.1846 43 K 3.6460 6.4420 118.9435 56.4753 31.2442 176.4172 44 Q 4.5002 7.1066 111.7683 55.5667 29.4779 175.5296 45 Y 5.1315 7.9801 115.2186 57.6434 39.6430 175.3890 46 V 3.9412 8.2785 119.7248 62.4514 31.7702 175.5504 47 D 4.5277 8.6640 122.0665 53.3911 39.5138 176.0745 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 Y 8.14 4.58 0.00 2.83 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 3.93 0.00 2.93 2.77 0.00 0.00 6.64 6.75 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 3 S 7.72 4.41 0.00 3.74 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 4 G 7.78 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 5 K 8.25 3.44 0.00 1.82 1.85 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.31 7.81 6 L 7.74 4.25 0.00 0.27 1.17 0.81 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.28 3.98 0.00 1.95 2.04 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 2.10 2.17 0.00 8 E 7.52 4.39 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 9 F 7.51 4.78 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.53 3.62 1.75 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 0.68 0.00 0.00 0.38 0.00 0.00 11 Q 8.74 4.29 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 12 G 8.41 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 13 N 8.07 3.95 0.00 2.94 2.85 0.00 0.00 6.87 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.33 4.42 0.00 1.63 1.68 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.76 3.78 0.00 2.15 2.08 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 2.21 2.22 0.00 16 R 7.76 4.69 0.00 1.82 1.88 0.00 3.28 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 17 E 7.68 4.55 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 18 C 8.38 4.57 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.78 4.14 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 20 E 7.99 3.98 0.00 2.04 1.77 0.00 0.00 0.00 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 2.29 0.00 21 E 8.82 4.18 0.00 2.01 2.01 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 2.41 2.29 0.00 22 K 8.17 4.44 0.00 1.92 1.87 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.73 1.51 7.81 23 C 8.09 4.28 0.00 3.12 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 S 8.24 4.37 0.00 4.05 4.19 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 0.00 0.00 0.00 0.00 25 F 7.87 3.73 0.00 3.26 3.41 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 0.00 0.00 0.00 26 E 8.58 3.65 0.00 1.36 1.64 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 1.96 1.85 0.00 27 E 8.53 3.89 0.00 2.15 2.11 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 2.20 2.23 0.00 28 A 7.47 4.81 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 0.00 0.00 0.00 0.00 0.00 29 R 8.64 4.21 0.00 1.60 1.64 0.00 3.23 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 30 E 8.07 4.55 0.00 2.18 1.79 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 2.57 2.37 0.00 31 V 8.38 4.82 2.08 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 0.83 0.00 0.00 0.88 0.00 0.00 32 F 8.04 4.16 0.00 3.20 3.03 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 0.00 0.00 0.00 33 E 7.43 4.41 0.00 1.56 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.36 0.00 34 N 8.17 5.34 0.00 2.80 2.90 0.00 0.00 6.66 7.05 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 35 T 7.31 3.92 4.42 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 1.24 0.00 0.00 36 E 8.07 4.31 0.00 2.01 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 2.25 0.00 37 R 7.73 4.16 0.00 2.02 1.94 0.00 2.96 0.00 0.00 3.07 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 38 T 7.64 4.79 4.46 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 0.00 0.00 0.00 1.39 0.00 0.00 39 T 9.01 3.67 4.29 0.00 0.00 0.00 0.00 0.00 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 40 E 7.71 3.69 0.00 1.92 1.93 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 2.28 2.21 0.00 41 F 8.22 4.20 0.00 3.16 3.38 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 0.00 42 W 7.67 3.22 0.00 3.25 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 6.44 3.65 0.00 1.23 1.36 0.00 0.61 0.00 0.00 1.01 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.97 0.72 7.81 44 Q 7.11 4.50 0.00 1.65 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 7.14 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 45 Y 7.98 5.13 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.28 3.94 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 0.86 0.00 0.00 1.13 0.00 0.00 47 D 8.66 4.53 0.00 2.77 2.66 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