NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4161 8.3049 120.3261 54.1538 32.6743 175.0925 4 P 4.0556 0.0000 0.0000 61.4923 31.6692 174.4589 5 P 4.3829 0.0000 0.0000 62.4747 32.8637 175.8484 6 T 4.0027 8.1482 114.4216 62.1598 67.9262 173.6138 7 L 4.4401 8.0595 126.2471 52.8507 42.9013 175.2472 8 P 4.3304 0.0000 0.0000 62.7912 31.8554 175.5268 9 H 4.5018 8.2783 120.3867 55.2359 31.0704 174.3611 10 R 4.0141 6.5461 113.6491 55.5654 30.6656 174.0357 11 D 4.7448 8.7474 123.0603 52.4124 40.1031 176.2703 12 W 4.6438 7.3134 121.5838 58.1813 27.6853 174.0575 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 3 M 8.30 4.42 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 4 P 0.00 4.06 0.00 2.11 2.01 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 5 P 0.00 4.38 0.00 2.03 1.99 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 6 T 8.15 4.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 7 L 8.06 4.44 0.00 1.62 1.52 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.33 0.00 1.99 1.97 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 H 8.28 4.50 0.00 3.02 3.19 0.00 5.98 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 6.55 4.01 0.00 0.67 0.79 0.00 2.25 0.00 0.00 2.74 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.71 0.00 11 D 8.75 4.74 0.00 2.90 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 12 W 7.31 4.64 0.00 3.33 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