NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 S 4.2791 8.3349 115.2899 57.8956 64.2004 174.0090 -2 R 4.1368 7.7177 124.0661 54.2105 29.7760 174.9381 -1 G 3.8626 8.6188 112.6094 44.7058 0.0000 172.0586 0 G 4.0355 8.3129 109.8737 43.6790 0.0000 172.8351 1 A 4.7220 7.9719 120.9214 49.8145 22.0037 176.3721 2 S 4.2738 8.5887 118.0723 58.5786 63.5577 174.0553 3 Q 4.3345 8.4678 124.0836 55.0421 29.5558 174.7907 4 Y 4.5990 8.5561 124.1385 57.0041 39.2730 174.8379 5 R 4.2349 8.5526 126.7057 54.9000 31.2227 175.0062 6 P 4.4789 0.0000 0.0000 62.1757 32.8395 175.4541 7 S 4.3904 8.4028 111.5570 58.9672 65.3932 174.2700 8 Q 3.5180 8.8058 123.8729 56.6464 29.7970 173.3268 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 -3 S 8.33 4.28 0.00 3.85 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 -2 R 7.72 4.14 0.00 1.92 1.88 0.00 3.25 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 -1 G 8.62 3.86 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 0.00 0.00 0.00 0 G 8.31 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 1 A 7.97 4.72 1.20 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 0.00 0.00 2 S 8.59 4.27 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.47 4.33 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 4 Y 8.56 4.60 0.00 2.75 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 5 R 8.55 4.23 0.00 1.84 1.82 0.00 3.43 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 6 P 0.00 4.48 0.00 1.97 1.92 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 7 S 8.40 4.39 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.81 3.52 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00