NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.9736 8.1633 120.2134 55.8301 33.2448 174.6482 2 Y 3.8550 8.3678 115.4198 58.1819 35.6536 170.6608 3 W 4.3338 7.4786 121.3072 56.3944 30.5568 174.7196 4 Y 4.5856 7.3525 117.9307 55.8659 39.5586 172.9439 5 P 3.9555 0.0000 0.0000 63.8880 30.2138 176.8658 6 Y 4.5676 7.9136 118.9683 59.5285 41.2566 176.6539 7 A 3.9335 7.5905 121.6251 51.4537 19.0047 177.0889 8 S 3.9944 8.1971 118.8940 57.7546 63.5861 174.1535 9 G 4.3385 7.9943 109.3042 45.4720 0.0000 172.8862 10 S 4.5365 8.3020 113.5297 58.3870 63.3453 174.0408 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 M 8.16 3.97 0.00 1.62 1.75 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 2 Y 8.37 3.85 0.00 3.03 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 3 W 7.48 4.33 0.00 2.76 1.80 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 4 Y 7.35 4.59 0.00 2.95 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 5 P 0.00 3.96 0.00 1.48 0.99 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 6 Y 7.91 4.57 0.00 2.80 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 7 A 7.59 3.93 1.14 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 0.00 0.00 8 S 8.20 3.99 0.00 3.84 3.90 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 9 G 7.99 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.54 0.00 4.02 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