NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2887 8.3444 119.6918 55.2872 30.1591 174.5606 2 S 4.0207 8.8177 117.2792 57.7513 62.6119 171.8720 3 P 4.3924 0.0000 0.0000 65.5263 32.6825 175.9461 4 M 4.7985 7.7769 116.5993 52.9282 32.0694 172.7467 5 P 4.3749 0.0000 0.0000 62.7174 32.5852 176.4337 6 L 4.7532 8.1908 121.4230 52.9617 43.8688 176.7421 7 T 4.0774 8.6257 113.9267 64.2780 69.2844 175.0290 8 V 4.5022 7.3419 113.0274 58.7680 36.0063 175.7100 9 A 3.8981 8.7667 124.7607 55.3387 18.3389 179.8179 10 A 3.9948 8.1552 117.2906 55.1719 18.4301 178.6352 11 A 4.1227 7.9485 118.2115 55.1712 18.7350 178.1855 12 S 4.6211 7.9343 109.0139 55.5756 64.2390 172.7323 13 P 4.2225 0.0000 0.0000 65.1111 31.2621 177.6589 14 E 3.8400 7.9687 116.9871 59.2999 29.6318 178.8531 15 L 4.0451 7.7592 119.5270 57.6566 41.9280 178.5760 16 A 4.1703 8.0511 120.1272 54.1934 18.5125 178.5774 17 S 4.4383 8.0836 109.8526 57.9662 62.7264 174.4325 18 G 3.8384 7.2780 107.3653 46.9926 0.0000 174.8343 19 K 3.8742 7.6948 120.2238 56.8889 32.5799 177.5568 20 V 3.7838 6.3658 116.2554 59.3006 34.3264 174.2908 21 W 5.1261 8.1527 119.6741 54.6784 32.9031 175.3860 22 I 3.8204 8.4477 121.6534 61.3463 37.1736 176.0125 23 R 4.3892 8.2568 123.6197 55.1863 30.6290 175.5212 24 Y 4.8051 8.2514 120.9488 55.0704 40.0686 174.0746 25 P 4.5154 0.0000 0.0000 62.8422 31.8610 176.1691 26 I 3.7971 8.2712 121.7140 60.8848 37.2899 176.1231 27 V 3.6551 8.3906 126.0118 63.2338 31.6625 175.8822 28 R 4.2252 8.4140 125.3564 56.4378 30.7962 175.2429 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 Q 8.34 4.29 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 2 S 8.82 4.02 0.00 3.96 3.83 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 3 P 0.00 4.39 0.00 2.05 2.09 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 4 M 7.78 4.80 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 5 P 0.00 4.37 0.00 2.22 2.06 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 6 L 8.19 4.75 0.00 1.63 1.76 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.63 4.08 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 8 V 7.34 4.50 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 0.75 0.00 0.00 0.96 0.00 0.00 9 A 8.77 3.90 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.16 3.99 1.29 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 0.00 0.00 0.00 11 A 7.95 4.12 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 12 S 7.93 4.62 0.00 3.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.16 2.07 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 14 E 7.97 3.84 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 15 L 7.76 4.05 0.00 1.70 1.60 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.05 4.17 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 S 8.08 4.44 0.00 3.94 3.81 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 18 G 7.28 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.69 3.87 0.00 1.55 1.67 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.25 7.81 20 V 6.37 3.78 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.83 0.00 0.00 21 W 8.15 5.13 0.00 3.48 3.05 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 0.00 0.00 0.00 0.00 22 I 8.45 3.82 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.47 0.28 0.00 0.00 23 R 8.26 4.39 0.00 1.74 1.87 0.00 3.43 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 24 Y 8.25 4.81 0.00 3.00 2.89 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 25 P 0.00 4.52 0.00 2.22 2.12 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 26 I 8.27 3.80 1.89 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.87 0.00 0.00 27 V 8.39 3.66 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 28 R 8.41 4.23 0.00 1.79 1.75 0.00 3.31 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00