NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2640 8.2544 119.7070 56.3499 32.4693 175.9045 2 C 4.2918 7.9859 117.8188 56.4736 44.0684 172.5837 3 C 5.0722 9.0120 123.3880 56.5965 37.2821 172.4911 4 H 4.9737 7.8756 118.7242 53.4687 32.8088 172.1016 5 P 4.2130 0.0000 0.0000 65.9198 31.5241 178.1301 6 Q 3.9990 8.6789 117.9297 59.4068 28.8222 176.0476 7 C 4.6156 7.9743 109.9945 55.5043 41.5507 173.5944 8 G 3.7608 8.2150 106.6020 46.6111 0.0000 174.3261 9 A 4.0314 8.1102 121.6827 52.4068 18.9904 177.9479 10 V 4.1053 8.5395 121.4680 63.9087 32.9519 175.6827 11 E 4.7068 7.6819 115.0408 54.0735 31.7623 175.3092 12 E 4.2024 8.4494 119.2552 56.6793 30.3668 177.9504 13 C 4.5186 8.5380 117.0585 57.2422 41.6118 174.0573 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 R 8.25 4.26 0.00 1.82 2.01 0.00 3.18 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 2 C 7.99 4.29 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.01 5.07 0.00 2.96 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 4 H 7.88 4.97 0.00 3.10 3.06 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.21 0.00 2.16 2.08 0.00 3.01 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 6 Q 8.68 4.00 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.59 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 7 C 7.97 4.62 0.00 3.08 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 8 G 8.22 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.03 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 10 V 8.54 4.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.98 0.00 0.00 11 E 7.68 4.71 0.00 2.09 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 2.18 2.29 0.00 12 E 8.45 4.20 0.00 1.98 1.92 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 2.30 2.32 0.00 13 C 8.54 4.52 0.00 2.94 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00