NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4348 8.1776 115.2921 58.3267 64.5162 175.2111 2 T 4.0315 7.6739 109.9197 62.3603 69.0934 171.4699 3 V 3.7336 7.9258 121.3681 65.7228 31.8839 178.4153 4 H 4.1739 8.1247 117.1743 59.5160 30.1561 175.8283 5 E 3.3498 8.1595 115.9018 60.3407 29.3058 178.7529 6 I 3.6695 7.5868 118.4541 64.8688 38.0064 178.3464 7 L 4.0575 7.9343 119.0353 57.6960 40.8633 179.7663 8 S 4.2882 7.9131 114.9451 60.7940 62.6253 175.6597 9 K 4.2641 7.9105 118.4473 56.8759 32.1776 177.7327 10 L 4.5431 7.3120 117.3564 54.6555 42.6803 176.4857 11 S 4.3462 7.4142 119.3965 58.5118 63.2579 173.7151 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 S 8.18 4.43 0.00 3.87 3.93 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 2 T 7.67 4.03 4.25 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 1.22 0.00 0.00 3 V 7.93 3.73 2.09 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 1.04 0.00 0.00 0.94 0.00 0.00 4 H 8.12 4.17 0.00 3.15 3.48 0.00 6.02 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.16 3.35 0.00 2.14 1.79 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 2.32 2.44 0.00 6 I 7.59 3.67 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 0.91 0.00 0.00 7 L 7.93 4.06 0.00 1.87 1.69 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.91 4.29 0.00 4.01 3.87 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 9 K 7.91 4.26 0.00 1.73 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.61 7.81 10 L 7.31 4.54 0.00 1.64 1.69 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.41 4.35 0.00 3.94 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00