NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9412 8.2127 109.7360 45.7103 0.0000 174.6421 2 I 3.4124 8.3772 118.3756 63.2220 37.8952 173.2498 3 V 3.4417 8.3459 120.0967 66.2677 31.6359 177.2744 4 E 3.9807 7.9918 117.2357 59.4185 29.5156 178.9062 5 Q 3.9304 8.0975 119.4854 59.6196 28.9600 177.8187 6 C 4.3563 8.1899 116.2244 59.7955 40.1976 175.3526 7 C 4.2085 7.4931 118.6235 62.4330 31.3767 175.3999 8 T 4.1000 8.2445 110.7294 62.6345 68.9260 175.0045 9 S 4.7286 8.4570 112.6313 57.8785 62.2173 176.2568 10 I 4.7184 8.3056 115.1910 60.1820 40.6489 172.1944 11 C 5.0257 8.3010 115.3518 53.3540 39.1395 174.1640 12 S 4.7959 9.0055 116.9435 57.1615 65.9041 175.4073 13 L 3.9807 8.2775 121.8016 58.0648 41.0530 179.3926 14 Y 4.0128 7.8904 115.6471 60.8833 38.1642 177.6165 15 Q 4.2460 8.7420 119.6433 58.9876 28.7679 178.8682 16 L 4.2900 7.9179 119.8230 57.5944 41.6876 178.9925 17 E 4.2769 8.2515 118.2418 58.7263 29.1385 178.4182 18 N 4.4481 7.9921 115.5333 54.8792 38.6673 174.9633 19 Y 4.0767 7.8944 117.1883 57.7300 38.7819 175.8081 20 C 4.4447 7.5951 118.0449 59.2995 28.9605 173.4928 21 N 4.5249 8.5288 117.6294 53.7879 38.1858 175.4043 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 3.94 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 0.00 0.00 0.00 2 I 8.38 3.41 1.62 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.27 -0.27 0.00 0.00 3 V 8.35 3.44 2.00 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 0.96 0.00 0.00 0.79 0.00 0.00 4 E 7.99 3.98 0.00 2.22 1.96 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 2.38 2.40 0.00 5 Q 8.10 3.93 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 6 C 8.19 4.36 0.00 2.93 3.11 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 7.49 4.21 0.00 3.04 3.02 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 8 T 8.24 4.10 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 1.23 0.00 0.00 9 S 8.46 4.73 0.00 3.82 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 10 I 8.31 4.72 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 1.48 0.47 0.92 0.00 0.00 11 C 8.30 5.03 0.00 3.13 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 12 S 9.01 4.80 0.00 4.26 4.13 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 8.28 3.98 0.00 1.36 1.51 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.89 4.01 0.00 3.04 3.08 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 8.74 4.25 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 16 L 7.92 4.29 0.00 1.92 1.76 0.91 0.74 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 8.25 4.28 0.00 2.26 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 0.00 2.30 2.42 0.00 18 N 7.99 4.45 0.00 2.47 2.64 0.00 0.00 6.89 7.62 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 7.89 4.08 0.00 3.16 3.17 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 7.60 4.44 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.53 4.52 0.00 2.71 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