NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3146 8.0433 122.7521 54.7200 43.9267 175.4095 10 L 4.3173 8.5551 126.5752 53.5999 42.0768 174.5188 11 L 4.8970 8.3721 125.9069 53.1562 45.5242 175.1503 12 E 4.6836 8.3179 121.2797 55.0794 32.1049 174.3171 13 C 4.8262 8.4609 122.8848 58.6073 29.6002 173.2016 14 T 5.5954 8.6394 117.4804 60.0157 69.9226 172.5148 15 E 4.2439 8.4142 124.9773 54.5055 31.8057 174.9742 16 C 4.2073 8.0197 123.2716 60.1902 29.3877 174.0838 17 K 3.8701 8.8498 120.8414 56.9727 29.5156 174.5419 18 R 4.6350 7.4310 115.3400 55.5000 34.3738 175.5039 19 R 4.4593 8.1343 112.4757 54.2403 29.1645 173.4307 20 N 4.8271 7.5634 121.3735 52.8542 43.2229 172.7045 21 Y 6.3000 8.4134 121.6657 56.1218 41.3942 174.2172 22 A 4.6746 8.0756 118.7388 51.0754 22.4383 175.9948 23 T 4.0481 8.4398 111.4468 62.1493 69.6403 173.3354 24 E 4.6030 8.4057 122.7653 56.0029 34.2803 174.8246 25 K 4.3225 8.2015 121.8397 56.1323 33.5487 174.6554 26 N 4.7731 8.2385 126.9547 52.6781 40.6138 173.8385 27 K 4.6433 8.1866 119.4929 53.8761 35.3346 175.0231 28 R 3.9018 8.8348 123.1159 58.4822 29.2837 176.8424 29 N 4.4718 8.9952 116.6052 56.2384 40.2976 175.0822 30 T 3.8551 7.8807 113.3702 63.2611 68.8451 170.6426 31 P 4.2290 0.0000 0.0000 62.1884 30.5953 174.1566 32 N 4.4032 7.7120 112.4229 53.0415 41.0961 174.1641 33 K 4.3212 8.9248 122.5507 57.0421 33.6948 176.8288 34 L 4.7020 7.5858 115.4999 53.6864 43.0800 175.5476 35 E 4.5242 8.2868 118.7995 54.0551 31.6891 174.7599 36 L 4.9519 8.2233 129.2451 55.3943 41.3777 176.7945 37 R 4.2985 7.9817 118.3731 56.6985 31.4277 176.5300 38 K 4.3827 8.6612 124.0896 57.3088 33.6545 174.5046 39 Y 4.6073 8.0531 122.7005 57.3271 43.0843 172.4878 40 C 4.4802 7.2189 119.8721 56.6526 32.7028 171.6167 41 P 4.7336 0.0000 0.0000 61.7471 32.2230 176.7133 42 W 5.1985 8.8191 128.2714 60.6718 30.8731 176.5877 43 C 4.1857 8.1530 115.1895 60.7854 28.6827 175.0229 44 R 3.5093 8.4262 123.2312 57.0965 28.4886 175.4527 45 K 4.4089 8.4819 119.2570 57.5103 36.1506 172.6296 46 H 4.5705 9.3280 124.5685 55.3272 27.2526 174.0406 47 T 4.8293 7.9405 112.8424 59.8293 71.6375 173.6786 48 V 3.9617 8.6510 116.9799 62.3545 33.0184 174.6514 49 H 5.2278 8.4404 121.4073 53.2729 30.9864 174.3317 50 R 4.3062 8.4425 122.3652 55.0479 31.8241 175.7735 51 E 3.9770 9.0670 121.9574 53.8456 29.5773 176.9540 52 V 3.6365 7.9229 124.2989 63.4463 32.6518 172.8700 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 9 L 8.04 4.31 0.00 1.73 1.74 0.90 0.30 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 10 L 8.56 4.32 0.00 1.62 1.55 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.37 4.90 0.00 1.68 1.43 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.32 4.68 0.00 1.68 1.71 0.00 0.00 0.00 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 1.92 0.00 13 C 8.46 4.83 0.00 2.76 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 14 T 8.64 5.60 4.47 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 1.26 0.00 0.00 15 E 8.41 4.24 0.00 1.97 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 2.17 2.24 0.00 16 C 8.02 4.21 0.00 3.11 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 3.87 0.00 1.87 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.38 7.81 18 R 7.43 4.63 0.00 1.85 1.80 0.00 3.58 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 19 R 8.13 4.46 0.00 1.70 1.81 0.00 2.95 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 20 N 7.56 4.83 0.00 2.73 2.79 0.00 0.00 6.88 7.56 0.00 0.00 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 Y 8.41 6.30 0.00 2.88 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 22 A 8.08 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.44 4.05 4.21 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 1.20 0.00 0.00 24 E 8.41 4.60 0.00 1.82 1.81 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 2.08 2.13 0.00 25 K 8.20 4.32 0.00 1.69 1.66 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.58 7.81 26 N 8.24 4.77 0.00 2.82 2.70 0.00 0.00 7.03 6.56 0.00 0.00 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 K 8.19 4.64 0.00 1.74 1.67 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.32 7.81 28 R 8.83 3.90 0.00 1.73 1.70 0.00 3.27 0.00 0.00 3.14 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 29 N 9.00 4.47 0.00 2.72 2.82 0.00 0.00 6.90 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.88 3.86 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 31 P 0.00 4.23 0.00 2.03 2.07 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 32 N 7.71 4.40 0.00 2.77 2.93 0.00 0.00 7.09 7.61 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 33 K 8.92 4.32 0.00 1.72 1.83 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.34 7.81 34 L 7.59 4.70 0.00 1.71 1.63 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.29 4.52 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 36 L 8.22 4.95 0.00 1.69 1.73 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.98 4.30 0.00 1.86 1.93 0.00 3.19 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 38 K 8.66 4.38 0.00 1.84 1.80 0.00 1.93 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.55 7.81 39 Y 8.05 4.61 0.00 3.01 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 40 C 7.22 4.48 0.00 2.50 2.36 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 41 P 0.00 4.73 0.00 2.37 2.36 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 42 W 8.82 5.20 0.00 3.19 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 43 C 8.15 4.19 0.00 3.03 2.85 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 0.00 0.00 0.00 44 R 8.43 3.51 0.00 1.91 1.84 0.00 3.24 0.00 0.00 3.21 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 45 K 8.48 4.41 0.00 1.72 1.72 0.00 2.00 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.43 7.81 46 H 9.33 4.57 0.00 3.31 3.36 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.94 4.83 4.28 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 1.25 0.00 0.00 48 V 8.65 3.96 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 0.84 0.00 0.00 0.96 0.00 0.00 49 H 8.44 5.23 0.00 3.10 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.44 4.31 0.00 1.75 1.87 0.00 3.58 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.42 0.00 51 E 9.07 3.98 0.00 2.04 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 0.00 2.35 2.28 0.00 52 V 7.92 3.64 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 0.80 0.00 0.00 0.95 0.00 0.00