NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9969 8.2127 109.7443 45.4327 0.0000 173.3504 2 I 3.0917 8.2420 117.6869 63.3115 37.5597 173.5256 3 V 3.5180 8.3907 119.9434 65.8776 31.6265 177.2836 4 E 3.9238 7.9746 116.7629 59.5667 29.5444 178.6504 5 Q 4.1582 8.3002 118.4831 58.5676 29.2783 176.5314 6 C 5.1402 8.1251 115.2268 56.0162 41.9277 174.3284 7 C 4.1785 8.1872 117.5459 60.6240 28.7457 175.1196 8 T 4.1558 7.9784 109.3238 63.3628 69.0622 174.8468 9 S 4.7626 7.5405 115.3913 55.2289 65.5297 172.7474 10 I 3.8921 8.2869 126.2265 61.6621 37.3632 176.2261 11 C 4.9828 8.5310 122.9117 55.2946 42.9176 174.5316 12 S 4.4358 8.9288 119.7087 57.9802 64.8009 175.3629 13 L 3.9197 8.3117 122.2443 58.2807 41.0216 179.3937 14 Y 4.3708 7.4658 115.1298 61.4399 37.6932 178.3837 15 Q 4.3421 8.3937 118.8445 58.9874 28.7465 178.7831 16 L 4.3633 8.2763 120.2157 57.3917 41.6301 179.0663 17 E 4.0819 8.2985 117.2604 58.7951 29.4003 178.5282 18 N 4.2126 7.6523 116.4307 56.0221 38.5756 175.5491 19 Y 4.5059 7.6952 115.7819 57.2304 38.5333 175.5439 20 C 4.4760 7.3622 118.2670 59.2722 29.0554 173.5217 21 N 4.5465 8.5636 117.6433 53.8093 38.1481 175.3756 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 G 8.21 4.00 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 0.00 2 I 8.24 3.09 0.83 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 0.67 0.00 0.00 3 V 8.39 3.52 2.04 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 1.06 0.00 0.00 0.87 0.00 0.00 4 E 7.97 3.92 0.00 2.22 2.01 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 2.43 0.00 5 Q 8.30 4.16 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 6 C 8.13 5.14 0.00 3.02 3.05 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 C 8.19 4.18 0.00 3.08 2.96 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 T 7.98 4.16 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 1.21 0.00 0.00 9 S 7.54 4.76 0.00 3.83 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 10 I 8.29 3.89 1.88 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 1.41 0.65 0.91 0.00 0.00 11 C 8.53 4.98 0.00 2.98 3.07 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 S 8.93 4.44 0.00 4.07 4.06 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 13 L 8.31 3.92 0.00 1.44 1.49 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.47 4.37 0.00 3.00 2.94 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 15 Q 8.39 4.34 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 8.28 4.36 0.00 1.90 1.79 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.30 4.08 0.00 2.32 2.38 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 2.67 0.00 18 N 7.65 4.21 0.00 2.56 2.62 0.00 0.00 6.95 7.34 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 19 Y 7.70 4.51 0.00 3.09 3.01 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 20 C 7.36 4.48 0.00 3.06 2.89 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 21 N 8.56 4.55 0.00 2.73 2.74 0.00 0.00 6.79 7.56 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