NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9165 8.3549 109.7357 45.4115 0.0000 173.1099 2 S 4.3506 8.4657 120.4881 56.8025 64.5535 173.2178 3 A 4.3019 8.6549 131.3220 51.6665 18.1092 176.8277 4 A 3.9457 7.0873 126.2729 49.9901 19.5477 176.7189 5 E 3.5792 7.7817 123.7430 55.8665 27.5696 174.0382 6 V 4.2147 7.5085 121.7823 61.4959 33.6387 175.6034 7 M 4.5072 7.7658 116.2538 55.1956 31.9674 175.2077 8 K 4.3643 7.7230 124.2521 56.0332 33.2238 178.1766 9 K 4.0169 6.9621 113.4637 53.9809 33.4554 176.4923 10 Y 4.3981 6.8583 117.6018 56.2037 40.4532 173.9376 11 C 4.6352 8.4905 129.9931 57.9223 29.3648 173.2473 12 S 4.1983 8.6454 122.7674 61.8965 62.3125 176.5468 13 T 4.1662 8.0195 117.4875 66.0611 68.2448 175.2686 14 C 4.3510 7.3398 116.6263 58.7592 29.7357 172.6680 15 D 4.2263 8.9991 118.4338 54.3991 39.0786 172.4165 16 I 4.4514 6.1810 117.8468 60.1322 42.4095 175.0744 17 S 4.8739 7.8515 116.9409 56.6240 65.9416 173.2455 18 F 4.6555 8.5914 122.0035 55.7773 41.4365 174.4305 19 N 4.2585 8.9555 123.3528 56.2633 39.3122 174.5756 20 Y 4.7711 7.2821 116.3105 56.8291 39.2109 176.4279 21 V 3.7271 8.7212 124.7050 65.9112 31.6748 177.9785 22 K 3.9586 8.2603 118.1539 60.3401 32.0546 179.1557 23 T 3.7214 7.8695 116.6067 66.7183 68.4547 176.0314 24 Y 3.7012 7.9340 120.8589 60.3852 38.8385 177.6350 25 L 3.7967 7.9993 121.2471 58.0950 41.8293 178.8603 26 A 3.8425 8.0629 120.4850 54.9239 18.1577 178.9035 27 H 4.0945 7.9595 117.5052 59.3445 29.8108 177.5773 28 K 3.8978 7.6510 119.5662 59.1196 31.8603 178.8783 29 Q 3.8607 7.4058 118.6033 57.5702 28.4583 177.8062 30 F 4.9319 7.4953 110.7469 57.5719 39.4075 174.2721 31 Y 4.4017 8.0292 123.1715 58.7857 40.2904 175.7379 32 C 4.1587 8.3595 119.7309 59.1512 32.0530 172.6034 33 K 4.4652 8.2803 122.1423 57.0491 33.2719 176.7083 34 N 4.6641 7.8615 116.2674 53.4992 38.0774 174.8410 35 K 4.1466 7.5575 118.2099 55.7461 33.4108 176.0109 36 P 4.4156 0.0000 0.0000 63.1992 31.2871 176.2580 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 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.47 4.35 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.65 4.30 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.09 3.95 1.23 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 0.00 0.00 0.00 5 E 7.78 3.58 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 6 V 7.51 4.21 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 0.87 0.00 0.00 0.92 0.00 0.00 7 M 7.77 4.51 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 8 K 7.72 4.36 0.00 1.69 1.80 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.50 7.81 9 K 6.96 4.02 0.00 1.75 1.89 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.42 7.81 10 Y 6.86 4.40 0.00 2.80 2.73 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 11 C 8.49 4.64 0.00 3.31 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 12 S 8.65 4.20 0.00 4.24 4.40 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 13 T 8.02 4.17 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 1.23 0.00 0.00 14 C 7.34 4.35 0.00 3.21 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 9.00 4.23 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.18 4.45 1.52 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.33 0.48 0.00 0.00 17 S 7.85 4.87 0.00 3.95 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 18 F 8.59 4.66 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.96 4.26 0.00 2.37 2.13 0.00 0.00 7.15 7.50 0.00 0.00 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 Y 7.28 4.77 0.00 3.13 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 21 V 8.72 3.73 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.98 0.00 0.00 22 K 8.26 3.96 0.00 2.01 2.08 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.56 7.81 23 T 7.87 3.72 4.35 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 0.97 0.00 0.00 24 Y 7.93 3.70 0.00 3.02 3.06 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 25 L 8.00 3.80 0.00 1.91 1.69 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.06 3.84 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.96 4.09 0.00 2.91 2.97 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.65 3.90 0.00 1.60 1.68 0.00 1.49 0.00 0.00 1.09 0.00 0.00 2.63 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.27 1.39 7.81 29 Q 7.41 3.86 0.00 1.36 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.07 0.00 0.00 0.00 0.00 0.00 2.27 2.03 0.00 30 F 7.50 4.93 0.00 3.01 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.03 4.40 0.00 3.12 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 32 C 8.36 4.16 0.00 2.89 2.73 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 33 K 8.28 4.47 0.00 1.85 1.84 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.34 1.47 7.81 34 N 7.86 4.66 0.00 2.68 2.79 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.56 4.15 0.00 1.78 1.73 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.56 7.81 36 P 0.00 4.42 0.00 2.17 2.03 0.00 3.79 0.00 0.00 3.69 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