NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2734 8.3049 120.3430 53.8857 34.1095 174.0535 2 R 3.4931 8.2896 118.5290 54.0699 26.5377 171.5280 3 G 3.7512 10.2284 107.1179 44.5617 0.0000 169.3916 4 S 3.9600 8.6427 123.6821 57.9566 61.3947 166.6301 5 H 4.0570 8.0908 126.0513 55.6332 30.9965 173.5484 6 H 4.6373 8.6406 124.5871 54.1106 32.3917 172.0824 7 H 4.1651 8.5126 123.5903 56.6774 28.1696 175.0127 8 H 4.5648 8.7347 126.0589 54.9818 28.7179 172.9690 9 H 4.9514 8.2506 125.3650 53.8319 31.4214 173.9629 10 H 4.3394 8.6016 123.9618 56.3079 28.8113 176.2556 11 T 3.8044 8.4585 114.1567 62.5404 69.1415 173.6329 12 D 4.2730 7.3483 122.2034 54.2562 41.0129 173.8860 13 P 4.3703 0.0000 0.0000 65.5333 31.6281 176.5289 14 M 4.3071 7.8187 120.2330 55.4327 32.3854 175.7946 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 8.30 4.27 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 R 8.29 3.49 0.00 2.07 1.94 0.00 3.24 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 3 G 10.23 3.75 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 4 S 8.64 3.96 0.00 4.06 4.02 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 5 H 8.09 4.06 0.00 3.30 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.64 4.64 0.00 3.08 3.15 0.00 5.99 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.51 4.17 0.00 3.15 3.22 0.00 5.74 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.73 4.56 0.00 3.18 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.25 4.95 0.00 3.12 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.60 4.34 0.00 3.22 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.46 3.80 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 1.26 0.00 0.00 12 D 7.35 4.27 0.00 2.45 2.68 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 P 0.00 4.37 0.00 2.08 2.12 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 14 M 7.82 4.31 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00