NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1911 8.2993 120.1135 56.2569 33.7549 174.4897 2 K 4.3776 7.8077 117.6752 54.4505 35.0712 175.6997 3 S 4.2181 9.6439 118.4444 60.7791 63.4480 175.1931 4 H 4.7859 7.9513 115.7319 56.1592 28.2109 175.9706 5 T 3.6775 7.3938 114.9304 62.1500 67.4506 172.5089 6 A 3.5172 8.2032 135.0000 53.0544 15.2028 176.4540 7 S 3.8380 8.5697 115.6052 60.1601 61.1683 172.7310 8 Y 5.1779 7.4954 117.1105 56.7496 38.4360 175.3122 9 L 5.1793 7.7405 119.0651 55.4512 46.5546 179.3747 10 R 3.9671 8.6363 116.7453 59.7720 30.2640 178.4112 11 L 4.2760 8.0981 117.4616 57.0635 41.8720 179.0564 12 W 4.7608 8.8176 129.3077 59.6462 29.2517 177.0014 13 A 2.9396 8.3623 119.0304 52.7051 17.7404 178.3774 14 L 4.2159 7.5188 117.6562 55.8312 42.4829 178.9929 15 S 4.1236 8.0466 116.4290 60.9910 62.8396 175.9475 16 L 4.1580 7.2632 120.8247 57.4507 40.5920 178.3277 17 A 4.1478 7.1572 120.0000 54.4613 18.5304 178.4251 18 H 4.4799 8.2957 113.2645 57.3389 29.1651 176.3767 19 A 4.5269 7.5174 121.7889 53.2435 19.6076 179.0179 20 Q 3.9663 7.8859 115.7906 58.4824 29.9357 177.1142 21 L 4.5206 7.5930 121.1832 52.9992 41.1842 175.8244 22 S 4.6071 7.4558 115.1217 59.3997 69.6993 177.4216 23 S 4.6936 8.1799 115.0352 58.4259 62.7529 175.1811 24 K 4.0711 8.1495 120.9081 58.3800 32.6067 176.6886 25 K 4.1230 8.0062 122.2922 56.8942 33.1033 174.4561 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 K 8.30 4.19 0.00 1.68 1.73 0.00 1.48 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.29 7.81 2 K 7.81 4.38 0.00 1.91 1.78 0.00 1.42 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.53 7.81 3 S 9.64 4.22 0.00 3.86 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 4 H 7.95 4.79 0.00 3.14 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.39 3.68 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 6 A 8.20 3.52 1.36 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 0.00 0.00 7 S 8.57 3.84 0.00 4.06 3.99 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 8 Y 7.50 5.18 0.00 2.94 2.80 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 0.00 0.00 0.00 9 L 7.74 5.18 0.00 1.87 1.97 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.64 3.97 0.00 1.86 2.07 0.00 3.24 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 11 L 8.10 4.28 0.00 1.87 1.79 0.73 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 W 8.82 4.76 0.00 3.12 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 2.94 0.98 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 0.00 0.00 0.00 0.00 0.00 14 L 7.52 4.22 0.00 1.86 1.60 0.91 0.88 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 15 S 8.05 4.12 0.00 3.97 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 16 L 7.26 4.16 0.00 1.78 1.62 0.74 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.16 4.15 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.30 4.48 0.00 3.21 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.52 4.53 1.38 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 0.00 0.00 20 Q 7.89 3.97 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.38 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 21 L 7.59 4.52 0.00 1.76 1.68 0.92 0.72 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 22 S 7.46 4.61 0.00 4.01 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 23 S 8.18 4.69 0.00 3.93 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 4.07 0.00 1.73 1.84 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.66 1.35 7.81 25 K 8.01 4.12 0.00 1.85 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.41 7.81