NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9506 8.2127 109.7438 44.9573 0.0000 174.4108 2 I 3.0840 7.6763 119.9680 62.1636 37.4947 172.6457 3 V 3.4072 7.6449 119.0282 65.9613 32.0020 177.0929 4 E 3.7978 7.9439 118.5225 59.2561 29.3215 178.5468 5 Q 4.1800 7.8183 117.0607 58.1999 29.0289 176.7824 6 C 4.8243 8.5947 115.2918 56.9372 41.6598 174.6164 7 C 4.4745 7.7366 118.2607 61.6227 32.5004 174.9102 8 H 4.5256 8.1478 116.1799 57.5281 28.5324 174.9001 9 S 4.8393 7.5061 113.2980 56.6693 66.5041 172.6308 10 I 4.4596 8.1411 121.2131 60.0623 38.5851 176.1193 11 C 5.1534 8.4899 121.9965 55.2238 42.5405 174.5450 12 S 4.4929 8.5690 118.8742 57.3664 65.1318 175.2759 13 L 3.7904 8.0130 122.9169 58.6447 41.4362 178.5312 14 Y 4.3797 6.9295 114.8517 61.0111 38.0989 177.8795 15 Q 4.1195 7.9287 120.5271 59.0683 29.2122 177.9704 16 L 4.2095 8.0076 121.4570 58.1241 42.3050 178.4699 17 E 4.1855 8.3301 117.7747 58.3854 29.1438 178.4336 18 N 4.4027 7.6597 115.5815 55.0058 38.7087 175.0642 19 Y 4.6453 7.6218 117.4290 57.7844 38.3966 175.3183 20 C 4.6127 7.6065 117.6662 58.8967 29.3519 173.6050 21 N 4.5484 8.5456 117.7150 53.7823 38.2168 175.3978 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 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 3.08 0.56 0.00 0.00 0.55 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 0.95 0.58 0.00 0.00 3 V 7.64 3.41 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 0.79 0.00 0.00 0.83 0.00 0.00 4 E 7.94 3.80 0.00 2.09 1.91 0.00 0.00 0.00 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 2.48 0.00 5 Q 7.82 4.18 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 6 C 8.59 4.82 0.00 2.90 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.47 0.00 2.90 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 8 H 8.15 4.53 0.00 3.46 3.32 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.51 4.84 0.00 4.13 3.78 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 0.00 0.00 0.00 0.00 10 I 8.14 4.46 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 0.92 0.00 0.00 11 C 8.49 5.15 0.00 2.97 3.03 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 0.00 0.00 0.00 12 S 8.57 4.49 0.00 4.11 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 8.01 3.79 0.00 1.49 1.00 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.93 4.38 0.00 3.05 2.99 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 15 Q 7.93 4.12 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 16 L 8.01 4.21 0.00 1.99 1.78 0.97 0.79 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 17 E 8.33 4.19 0.00 2.27 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 0.00 2.34 2.59 0.00 18 N 7.66 4.40 0.00 2.28 2.28 0.00 0.00 6.86 8.23 0.00 0.00 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 7.62 4.65 0.00 3.16 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 20 C 7.61 4.61 0.00 3.08 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.55 0.00 2.72 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