NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9994 8.2127 109.7424 45.4950 0.0000 174.3727 2 I 3.1442 8.1642 117.8813 63.1073 37.3220 173.7649 3 V 3.5157 8.3765 120.2275 65.8795 31.6299 177.3114 4 E 3.9907 8.0337 117.1867 59.1554 29.4426 178.3833 5 Q 4.2660 7.9980 118.7686 57.8369 29.3250 175.7041 6 C 5.1907 8.0553 113.6116 55.9419 41.1271 174.0544 7 C 4.2900 7.8112 118.6642 60.8911 28.7900 175.0010 8 T 4.3190 7.8050 107.8269 62.2806 69.0713 174.4364 9 S 4.7017 7.4972 115.6611 56.5327 66.2045 173.0223 10 I 4.0897 8.1356 121.9286 60.9674 37.8977 176.0752 11 C 5.0742 8.4387 121.1142 55.2002 43.2951 174.9371 12 S 4.4781 9.2970 120.6169 57.5505 65.1394 175.0506 13 L 3.8372 8.1591 122.1165 58.3724 41.3987 178.2557 14 Y 4.0217 7.3653 115.6383 60.8446 37.9977 177.6960 15 Q 4.2043 8.0981 118.8654 58.8700 28.8590 178.3718 16 L 4.4364 8.1646 119.3736 56.9718 41.7596 178.8865 17 E 4.0853 8.2233 118.6311 58.6930 29.0802 178.6359 18 N 4.2915 7.7782 116.1375 55.5434 38.5618 175.6860 19 Y 4.5019 7.7123 115.6826 57.1215 38.7671 175.7117 20 C 4.4602 7.3567 118.1386 59.2475 29.0538 173.4974 21 N 4.5392 8.5633 117.7617 53.8034 38.1375 175.3472 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 8.21 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 0.00 0.00 0.00 2 I 8.16 3.14 0.71 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.92 0.67 0.00 0.00 3 V 8.38 3.52 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.03 3.99 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 5 Q 8.00 4.27 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.04 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 6 C 8.06 5.19 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.81 4.29 0.00 3.03 2.95 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 0.00 0.00 0.00 8 T 7.81 4.32 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 S 7.50 4.70 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 4.09 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.56 0.92 0.00 0.00 11 C 8.44 5.07 0.00 2.96 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 9.30 4.48 0.00 4.14 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 3.84 0.00 1.51 1.12 0.76 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.37 4.02 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.10 4.20 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 16 L 8.16 4.44 0.00 1.86 1.76 0.91 0.78 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 17 E 8.22 4.09 0.00 2.21 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 2.29 2.56 0.00 18 N 7.78 4.29 0.00 2.35 2.44 0.00 0.00 6.91 8.05 0.00 0.00 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 Y 7.71 4.50 0.00 3.11 2.99 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 20 C 7.36 4.46 0.00 3.00 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 21 N 8.56 4.54 0.00 2.72 2.74 0.00 0.00 6.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00