NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6023 8.4549 115.4469 55.4493 42.9828 172.4729 2 S 4.5221 8.1843 116.4099 56.3484 64.6306 172.5105 3 C 5.0927 9.0014 121.3564 55.2855 47.5335 174.0166 4 S 4.1950 8.5708 120.7376 58.4046 61.0227 174.0971 5 S 3.4556 8.4939 110.8774 58.9650 61.1284 172.1919 6 L 3.4438 8.6080 127.4412 57.7921 38.1411 174.0206 7 M 2.8871 8.9919 120.5096 59.1075 32.6509 176.1032 8 D 4.5444 6.7760 112.7913 52.1397 45.6547 176.0112 9 K 4.1743 8.6547 120.7925 57.9574 32.5124 177.7305 10 E 5.2582 8.0582 115.2616 56.0962 31.0247 174.5486 11 C 5.2977 8.5783 117.6122 55.9274 46.0694 173.1640 12 V 4.5806 7.8501 117.8712 60.3796 33.7021 174.7064 13 Y 5.2893 7.2032 135.0000 58.9745 37.0359 171.9512 14 F 4.8108 5.8005 116.6119 59.2631 41.3131 177.7606 15 C 4.3914 9.1131 117.8171 60.7121 40.9196 174.2635 16 H 4.7717 7.7612 119.5756 54.6950 29.3860 173.4851 17 L 4.8527 7.2627 123.8225 54.6574 42.0506 178.9686 18 D 3.5789 9.0063 130.1496 56.8669 40.8234 177.3684 19 I 3.6793 6.5428 120.1829 63.1833 37.4579 175.9237 20 I 4.9269 6.7593 119.9143 59.6526 41.2909 175.3531 21 W 4.9631 9.6936 119.0921 57.0769 27.8667 174.6285 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 C 8.45 4.60 0.00 3.11 3.21 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 2 S 8.18 4.52 0.00 3.91 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 3 C 9.00 5.09 0.00 2.89 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.57 4.20 0.00 4.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.49 3.46 0.00 4.06 4.26 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 6 L 8.61 3.44 0.00 1.90 1.80 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 7 M 8.99 2.89 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 8 D 6.78 4.54 0.00 2.84 2.81 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 9 K 8.65 4.17 0.00 1.80 1.87 0.00 1.90 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.50 1.50 7.81 10 E 8.06 5.26 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 11 C 8.58 5.30 0.00 3.04 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 12 V 7.85 4.58 1.83 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 0.78 0.00 0.00 0.92 0.00 0.00 13 Y 7.20 5.29 0.00 1.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 5.80 4.81 0.00 3.19 2.90 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 0.00 0.00 0.00 15 C 9.11 4.39 0.00 3.17 3.14 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 0.00 0.00 0.00 0.00 16 H 7.76 4.77 0.00 3.08 3.20 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.26 4.85 0.00 1.72 0.75 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.01 3.58 0.00 2.42 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.54 3.68 1.65 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.82 0.00 0.00 20 I 6.76 4.93 1.78 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 1.60 0.53 1.16 0.00 0.00 21 W 9.69 4.96 0.00 3.30 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