NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5493 8.2348 114.8088 58.6285 64.5703 172.3846 2 N 4.0578 8.5081 114.4408 54.2265 35.3632 172.6186 3 E 4.2490 7.9247 116.7968 56.9176 31.0649 178.3603 4 W 4.4559 7.8230 115.5581 57.4263 28.8195 176.1140 5 I 3.7686 6.3616 121.4411 60.0905 36.5987 175.2681 6 Q 4.3086 8.3274 125.1328 53.9569 29.6921 174.3734 7 P 4.2719 0.0000 0.0000 62.8166 31.9402 176.5411 8 R 4.1874 8.3571 121.5798 55.7628 30.9331 175.5459 9 L 4.7063 8.0051 122.3417 52.2377 44.1861 174.4885 10 P 4.3744 0.0000 0.0000 63.0688 31.9467 176.4907 11 Q 4.2019 8.4512 119.5830 56.1601 29.3786 175.4037 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 8.23 4.55 0.00 4.04 3.99 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 N 8.51 4.06 0.00 2.90 2.54 0.00 0.00 6.83 6.78 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 E 7.92 4.25 0.00 2.12 1.98 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 2.40 2.33 0.00 4 W 7.82 4.46 0.00 3.54 3.20 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 I 6.36 3.77 1.38 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.64 0.00 0.00 6 Q 8.33 4.31 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 7 P 0.00 4.27 0.00 2.01 1.96 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 8 R 8.36 4.19 0.00 1.76 1.84 0.00 3.20 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 9 L 8.01 4.71 0.00 1.55 1.52 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.37 0.00 2.07 1.97 0.00 3.66 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 2.11 0.00 11 Q 8.45 4.20 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.56 0.00