NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0424 8.1600 109.1356 45.0293 0.0000 174.2864 2 I 3.4554 8.3172 118.1909 63.2024 37.4474 172.1783 3 V 3.4695 8.4042 119.9627 66.1052 31.2217 177.3220 4 E 3.8934 7.9854 117.4458 59.4766 29.4949 178.6941 5 Q 3.9868 8.5911 119.8051 59.7107 28.8763 177.9838 6 C 4.2653 8.4526 116.4315 59.6088 40.2049 174.9967 7 C 4.2639 7.3882 118.3617 61.2404 31.7340 174.7224 8 A 4.2101 8.7012 123.4806 54.7771 19.2806 177.9066 9 S 4.7318 7.5485 105.4537 58.1253 61.9334 176.6848 10 V 4.5775 8.2789 114.0937 61.3960 34.0894 171.8342 11 C 5.1414 8.3886 117.3568 53.1472 38.9444 173.7501 12 S 4.9243 8.8178 115.7613 56.6917 66.0385 175.3072 13 L 3.9789 8.3008 122.4799 58.1519 41.4298 179.1096 14 Y 4.2197 7.7639 116.3500 61.1055 37.7056 178.3483 15 Q 4.1143 8.1001 118.6662 58.8421 28.8435 178.5370 16 L 4.3524 7.8731 119.2983 57.3437 41.6189 179.1552 17 E 4.1148 7.9510 118.7770 59.0412 29.1158 178.6260 18 N 4.3712 7.8681 115.5389 55.3366 38.5707 175.6911 19 Y 4.4072 7.5369 116.2816 57.1574 38.7035 175.5400 20 C 4.4780 7.2269 118.1369 59.3207 29.1305 173.4898 21 N 4.5414 8.5344 117.5590 53.7623 38.2564 175.4507 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 8.16 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.32 3.46 1.87 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.10 0.07 0.00 0.00 3 V 8.40 3.47 2.02 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 0.96 0.00 0.00 0.79 0.00 0.00 4 E 7.99 3.89 0.00 2.25 1.97 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 2.39 2.41 0.00 5 Q 8.59 3.99 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 6 C 8.45 4.27 0.00 2.95 3.12 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 7.39 4.26 0.00 3.06 2.92 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 A 8.70 4.21 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.55 4.73 0.00 3.82 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 10 V 8.28 4.58 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 0.89 0.00 0.00 0.94 0.00 0.00 11 C 8.39 5.14 0.00 3.27 3.00 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 12 S 8.82 4.92 0.00 4.19 4.09 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 0.00 0.00 0.00 0.00 13 L 8.30 3.98 0.00 1.27 1.57 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.76 4.22 0.00 3.05 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 15 Q 8.10 4.11 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 16 L 7.87 4.35 0.00 1.88 1.78 0.91 1.18 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 17 E 7.95 4.11 0.00 2.24 2.03 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 2.33 2.48 0.00 18 N 7.87 4.37 0.00 2.34 2.53 0.00 0.00 6.94 8.44 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 7.54 4.41 0.00 3.16 3.04 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 0.00 0.00 0.00 0.00 20 C 7.23 4.48 0.00 3.00 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 21 N 8.53 4.54 0.00 2.72 2.73 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