NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1959 8.2493 123.5781 51.7897 18.6728 174.9919 2 P 4.4122 0.0000 0.0000 59.5158 32.1898 175.0289 3 L 2.0000 8.3582 127.4015 55.2693 40.6411 181.1765 4 E 4.2615 9.0596 119.7022 54.7354 29.8065 175.4244 5 P 4.6905 0.0000 0.0000 62.0964 32.0615 175.1210 6 E 4.6946 8.8013 119.2393 55.2635 32.9260 174.6879 7 Y 2.3900 8.4450 124.6587 56.8785 39.2952 174.4582 8 P 4.1474 0.0000 0.0000 61.7413 30.9756 175.2622 9 G 4.0599 8.3591 117.0667 44.4012 0.0000 172.0031 10 D 4.5320 8.6588 117.8943 57.3152 41.2644 176.1319 11 N 4.5854 7.1875 109.8005 53.0165 41.1753 173.1732 12 A 4.2130 8.4272 125.9074 50.9693 19.8066 178.1994 13 T 3.9802 8.1763 113.0628 61.7896 69.2913 172.8004 14 P 4.2475 0.0000 0.0000 65.9818 31.2495 178.3391 15 E 3.9019 7.8930 117.5589 59.3745 29.6564 178.7487 16 Q 4.0059 7.9495 117.4276 59.1938 28.8905 178.5006 17 M 3.9894 8.3964 119.5597 58.9544 32.1766 178.0670 18 H 4.1759 8.3495 116.3852 58.7813 28.8852 177.7337 19 Q 3.9803 8.1755 119.8680 59.2771 28.5870 178.1201 20 Y 4.0733 8.1080 120.1084 60.8103 38.9114 177.8008 21 A 3.5719 8.2987 121.5741 55.2331 18.3024 179.1672 22 H 3.9748 8.5342 117.0943 59.7191 30.0519 177.6452 23 Q 4.0188 8.1574 119.7885 58.6110 28.4403 178.3969 24 L 3.8549 7.7083 121.5408 58.4462 42.1688 179.3983 25 R 3.9098 7.9489 117.8510 58.9561 29.7310 179.1165 26 R 3.8170 7.9469 118.1810 59.6895 30.3330 177.6226 27 Y 4.2515 8.5442 119.6726 60.6534 38.5701 177.3819 28 I 3.1370 7.8054 119.3640 64.4029 37.7710 177.2407 29 N 4.3113 7.9755 116.7435 56.3091 38.8598 176.5102 30 M 4.1542 8.0899 118.7361 57.4535 31.2889 176.2204 31 L 4.1647 6.9557 123.7184 55.4981 40.8800 176.0407 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 A 8.25 4.20 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.22 2.07 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 3 L 8.36 2.00 0.00 1.47 0.70 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.06 4.26 0.00 2.00 2.00 0.00 0.00 0.00 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 2.35 0.00 5 P 0.00 4.69 0.00 2.35 2.12 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.07 0.00 6 E 8.80 4.69 0.00 1.90 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 2.24 2.30 0.00 7 Y 8.45 2.39 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 2.02 1.99 0.00 2.20 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.81 0.00 9 G 8.36 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.66 4.53 0.00 2.66 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.19 4.59 0.00 2.80 2.70 0.00 0.00 7.21 7.88 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 12 A 8.43 4.21 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 3.98 4.23 0.00 0.00 0.00 0.00 0.00 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 14 P 0.00 4.25 0.00 2.16 2.11 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 15 E 7.89 3.90 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 16 Q 7.95 4.01 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 17 M 8.40 3.99 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 18 H 8.35 4.18 0.00 3.55 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.18 3.98 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 20 Y 8.11 4.07 0.00 3.00 2.87 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 21 A 8.30 3.57 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.53 3.97 0.00 3.32 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.16 4.02 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 24 L 7.71 3.85 0.00 1.44 1.56 0.67 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.95 3.91 0.00 1.87 1.89 0.00 3.17 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 26 R 7.95 3.82 0.00 1.89 2.11 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 27 Y 8.54 4.25 0.00 2.99 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.81 3.14 1.95 0.00 0.00 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 1.33 0.89 0.93 0.00 0.00 29 N 7.98 4.31 0.00 2.92 2.87 0.00 0.00 7.22 7.00 0.00 0.00 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 M 8.09 4.15 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.77 0.00 31 L 6.96 4.16 0.00 1.53 1.50 0.73 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00