NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0965 8.0093 120.7865 61.2521 38.3776 174.5530 2 T 4.4444 8.1464 117.9178 59.6828 71.0679 172.1001 3 A 4.6207 8.7051 124.7551 50.6613 22.9519 177.8396 4 K 4.1599 8.3973 119.8648 55.5774 32.7637 175.5797 5 P 4.4126 0.0000 0.0000 61.8769 32.0846 176.0329 6 A 3.9859 8.5039 121.7959 52.9130 18.5260 178.2946 7 K 4.1654 8.7483 122.8244 59.0852 33.0007 177.8080 8 T 4.6798 7.3535 106.7424 59.1981 68.4165 171.5460 9 P 4.0975 0.0000 0.0000 63.8149 32.2882 176.9662 10 T 4.3815 8.0749 117.6201 61.2733 68.5746 174.3851 11 S 4.2720 8.5184 121.0398 57.5855 63.9074 174.1264 12 P 4.2006 0.0000 0.0000 66.0830 31.1604 178.7316 13 K 3.8634 8.1152 116.2728 59.7413 31.9629 178.9576 14 E 3.9716 8.1731 118.4561 59.4511 29.3915 179.4202 15 Q 3.9094 8.0462 117.2579 59.0034 28.9972 178.3615 16 A 3.9692 8.2498 122.0403 55.3764 18.2149 179.8025 17 I 3.7106 7.6953 117.6313 64.6373 37.2779 179.0017 18 G 3.5872 8.0200 106.4936 47.6734 0.0000 175.4485 19 L 3.8862 8.3878 122.9791 57.8656 42.0026 179.3359 20 S 4.0416 7.7503 114.8834 61.5133 62.8334 176.7945 21 V 3.6674 8.0494 121.1656 66.1239 30.8255 178.2356 22 T 4.0420 8.0011 115.5508 66.7053 68.2867 176.5629 23 F 4.2797 8.3910 119.5787 60.8019 38.9553 177.7595 24 L 4.1261 8.1685 118.7897 57.8607 41.2152 179.7702 25 S 4.2738 8.1966 113.0560 60.8131 63.4125 176.2661 26 F 4.2136 7.9396 120.4653 60.2111 39.0513 178.0313 27 L 4.0033 8.3913 118.9499 57.6503 41.3562 179.4101 28 L 4.0463 8.4355 119.4432 57.4616 41.5495 177.5690 29 P 4.3267 0.0000 0.0000 65.7708 31.2151 178.6323 30 A 4.2000 7.6904 118.0368 54.9768 18.3772 179.7393 31 G 3.7274 8.4368 104.5696 47.8510 0.0000 175.3271 32 W 4.2113 8.5108 130.0946 60.2693 31.1128 177.5843 33 V 3.8323 8.0914 117.6475 66.4461 30.9723 177.9471 34 L 4.0385 8.3402 118.5811 58.1577 41.2692 179.0533 35 Y 4.0416 8.6007 118.6921 60.1124 39.0030 176.7650 36 H 4.1647 7.8034 114.9129 55.0053 29.1081 176.3471 37 L 4.0685 7.2881 122.8095 58.3634 41.2804 178.9845 38 D 4.2442 7.7016 115.8986 57.2004 41.4270 177.5940 39 N 4.3174 7.7650 117.0225 56.3712 38.4812 176.9083 40 Y 4.3616 7.1181 117.4969 61.1424 37.9135 178.3834 41 K 4.2677 8.0895 116.2535 57.7447 32.2116 178.1978 42 K 4.2781 7.9388 117.9296 55.7017 32.8889 176.1280 43 S 4.3904 8.0270 119.1474 58.4352 63.9365 168.2126 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 I 8.01 4.10 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.91 0.00 0.00 2 T 8.15 4.44 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 3 A 8.71 4.62 1.21 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 0.00 0.00 0.00 4 K 8.40 4.16 0.00 1.76 1.76 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 5 P 0.00 4.41 0.00 2.17 2.05 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 6 A 8.50 3.99 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 7 K 8.75 4.17 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.35 4.68 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 9 P 0.00 4.10 0.00 2.19 2.13 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 10 T 8.07 4.38 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 1.20 0.00 0.00 11 S 8.52 4.27 0.00 4.00 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 12 P 0.00 4.20 0.00 2.16 2.16 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 13 K 8.12 3.86 0.00 1.82 1.86 0.00 1.55 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.60 7.81 14 E 8.17 3.97 0.00 2.20 1.99 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 2.32 2.34 0.00 15 Q 8.05 3.91 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 16 A 8.25 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 3.71 2.07 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 1.44 0.77 0.90 0.00 0.00 18 G 8.02 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 3.89 0.00 1.61 1.43 0.72 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.75 4.04 0.00 4.10 3.88 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 21 V 8.05 3.67 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 1.07 0.00 0.00 1.03 0.00 0.00 22 T 8.00 4.04 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 23 F 8.39 4.28 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.13 0.00 1.84 1.79 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.20 4.27 0.00 4.04 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.94 4.21 0.00 3.27 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.00 0.00 1.74 1.76 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.44 4.05 0.00 1.69 1.75 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.33 0.00 2.16 2.11 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 30 A 7.69 4.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.44 3.73 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 0.00 0.00 0.00 32 W 8.51 4.21 0.00 3.32 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.83 2.24 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 1.08 0.00 0.00 1.23 0.00 0.00 34 L 8.34 4.04 0.00 1.90 1.76 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.60 4.04 0.00 2.90 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 36 H 7.80 4.16 0.00 2.43 2.36 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.29 4.07 0.00 1.75 1.73 0.94 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.70 4.24 0.00 2.49 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.76 4.32 0.00 2.29 2.61 0.00 0.00 6.98 6.78 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 40 Y 7.12 4.36 0.00 3.14 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 41 K 8.09 4.27 0.00 1.86 1.86 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.58 7.81 42 K 7.94 4.28 0.00 1.95 1.81 0.00 1.86 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.43 7.81 43 S 8.03 4.39 0.00 4.00 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