NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 3.8963 7.8827 121.2633 60.8342 38.9461 175.9425 3 V 3.3059 8.2931 124.6515 65.7868 31.0886 174.6758 4 E 3.9389 8.1074 118.2693 59.2754 29.4014 178.2715 5 Q 4.1766 8.0230 115.4877 57.0763 29.5859 177.3305 6 C 5.2949 7.6995 117.2732 56.6766 40.8919 174.1660 7 C 4.3732 8.0775 117.5997 60.0564 29.0342 174.9667 8 T 4.3503 7.3274 110.4028 62.1844 69.6068 174.5963 9 S 4.5525 7.0898 113.3505 56.6308 65.9919 173.6572 10 I 3.9011 8.2736 122.5927 62.0159 36.8858 176.6860 11 C 4.6560 8.6113 123.6744 56.1773 42.1743 174.4658 12 S 4.6745 8.3380 118.3965 57.2598 65.5474 175.1554 13 L 3.9642 8.5060 122.0862 58.3836 41.4206 179.2839 14 Y 4.0312 8.0394 118.5709 60.9204 38.6407 177.9158 15 Q 3.8030 7.7522 117.7524 58.8240 29.0458 178.7464 16 L 4.2430 8.1198 120.1319 57.9562 41.8529 179.0443 17 E 3.9086 8.6234 118.8361 59.7787 29.1498 179.1507 18 N 4.1999 7.4829 115.3345 56.0736 38.8679 174.8147 19 Y 4.6701 7.2314 116.8406 58.0952 37.8933 174.7204 20 C 4.9580 7.3471 116.5701 58.1606 31.6761 174.0751 21 N 4.0981 8.5342 118.8617 54.3110 39.1369 174.5786 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 2 I 7.88 3.90 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.44 0.91 0.00 0.00 3 V 8.29 3.31 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 1.01 0.00 0.00 0.86 0.00 0.00 4 E 8.11 3.94 0.00 2.04 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 2.40 2.38 0.00 5 Q 8.02 4.18 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 6 C 7.70 5.29 0.00 2.90 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 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 8 T 7.33 4.35 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 9 S 7.09 4.55 0.00 4.04 3.96 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 10 I 8.27 3.90 1.89 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 0.42 0.93 0.00 0.00 11 C 8.61 4.66 0.00 3.00 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 8.34 4.67 0.00 4.12 4.05 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 13 L 8.51 3.96 0.00 1.77 1.82 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.04 4.03 0.00 3.10 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 7.75 3.80 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 16 L 8.12 4.24 0.00 1.85 1.75 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.62 3.91 0.00 2.04 1.89 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 2.32 2.49 0.00 18 N 7.48 4.20 0.00 2.31 2.36 0.00 0.00 7.26 6.82 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 19 Y 7.23 4.67 0.00 3.22 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 4.96 0.00 3.08 2.78 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 21 N 8.53 4.10 0.00 2.64 2.64 0.00 0.00 6.82 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