NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9948 8.2127 109.7426 45.4344 0.0000 173.5454 2 I 3.2519 8.1339 117.5345 63.1416 37.6078 173.5570 3 V 3.5301 8.3823 120.0852 65.8730 31.6844 177.2600 4 E 3.9448 8.0105 116.7724 59.4815 29.4611 178.7231 5 Q 4.1370 8.3148 118.7050 58.6834 29.3395 176.5354 6 C 5.0426 8.2964 115.4043 56.1291 41.5839 174.1611 7 C 4.2456 8.0514 117.2600 60.5012 28.9027 175.3440 8 T 4.1388 7.9836 116.0674 65.8466 68.6897 174.9406 9 S 4.7340 7.5422 115.3546 55.9902 66.9140 173.2209 10 I 3.7308 8.2676 122.9295 61.4517 38.2381 176.1849 11 C 4.8558 8.5717 125.3517 56.0025 42.5797 174.3141 12 S 4.5012 8.9822 119.3475 58.0346 64.7815 175.6015 13 L 4.0236 8.4320 121.9967 58.0781 41.0972 179.1743 14 Y 4.2130 7.9906 118.3400 60.7009 39.0519 177.5079 15 Q 4.1117 8.4012 119.0594 59.0878 28.8277 178.8609 16 L 4.2566 8.1829 119.9240 57.8921 41.7784 179.3598 17 E 3.9509 8.1376 118.1956 58.7578 29.0244 178.4928 18 N 3.9661 7.3702 116.5080 56.4757 38.8604 175.3290 19 Y 4.3770 7.6221 115.0831 57.3887 38.7279 175.7382 20 C 4.3498 7.0803 117.9726 59.4735 28.9564 173.5305 21 N 4.5180 8.6070 118.6573 53.7615 38.1055 175.1696 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 3.99 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 0.00 0.00 0.00 2 I 8.13 3.25 0.71 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.02 0.63 0.00 0.00 3 V 8.38 3.53 2.04 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.01 3.94 0.00 2.12 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 2.32 2.43 0.00 5 Q 8.31 4.14 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 6 C 8.30 5.04 0.00 2.99 3.06 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 7 C 8.05 4.25 0.00 3.10 2.95 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 8 T 7.98 4.14 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 1.21 0.00 0.00 9 S 7.54 4.73 0.00 3.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 3.73 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 1.43 0.76 0.92 0.00 0.00 11 C 8.57 4.86 0.00 3.03 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 12 S 8.98 4.50 0.00 4.12 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 8.43 4.02 0.00 1.78 1.81 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.99 4.21 0.00 2.96 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 15 Q 8.40 4.11 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 16 L 8.18 4.26 0.00 1.89 1.78 0.94 0.82 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 8.14 3.95 0.00 1.96 1.80 0.00 0.00 0.00 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 2.46 0.00 18 N 7.37 3.97 0.00 2.35 1.96 0.00 0.00 7.16 8.81 0.00 0.00 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 4.38 0.00 3.00 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 20 C 7.08 4.35 0.00 3.05 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 8.61 4.52 0.00 2.71 2.73 0.00 0.00 6.81 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