NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0015 8.2127 109.7466 45.0789 0.0000 174.0625 2 I 3.1489 8.0976 119.1560 62.4847 37.4774 172.5646 3 V 3.5165 8.3693 119.9252 65.9317 31.6796 177.1852 4 E 3.9440 8.0352 116.6737 59.5956 29.4677 178.7374 5 Q 4.1817 8.3890 118.6587 58.4402 29.2833 176.4231 6 C 5.1487 8.0962 114.8199 55.8792 41.6975 174.1401 7 C 4.2366 8.0806 117.8829 60.2480 28.8695 174.9820 8 T 4.2058 7.9583 109.2699 63.4152 69.0877 175.0138 9 S 4.8010 7.5138 118.5893 55.4472 65.2508 173.6159 10 I 4.0198 8.1574 123.9705 61.6764 37.2561 176.5124 11 C 4.9002 8.5919 123.4363 55.9010 41.5053 174.4417 12 S 4.5331 9.0670 119.8935 57.5259 65.2416 175.5205 13 L 3.9760 8.1265 121.2998 58.0157 40.9856 179.3799 14 Y 4.3485 7.4538 115.6056 61.1710 38.0362 178.0499 15 Q 4.2156 8.2290 119.0025 59.1025 28.8413 178.9307 16 L 4.3121 8.1783 119.9485 57.6176 41.6397 178.9898 17 E 4.1863 8.3932 119.3322 59.1155 29.2582 178.3468 18 N 4.4146 7.8207 115.4995 55.3190 38.9129 175.5806 19 Y 4.5473 8.1472 117.6259 57.1013 38.4454 175.3945 20 C 4.5100 7.2550 118.2242 59.4586 28.9934 173.2754 21 N 4.5101 8.5739 118.9826 54.0394 38.5815 174.8517 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.15 0.89 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.00 0.68 0.00 0.00 3 V 8.37 3.52 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 8.04 3.94 0.00 2.13 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 2.33 2.43 0.00 5 Q 8.39 4.18 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 6 C 8.10 5.15 0.00 3.02 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 7 C 8.08 4.24 0.00 3.09 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 7.96 4.21 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 1.21 0.00 0.00 9 S 7.51 4.80 0.00 3.90 3.80 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 0.00 0.00 0.00 10 I 8.16 4.02 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 1.41 0.47 0.91 0.00 0.00 11 C 8.59 4.90 0.00 2.99 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 9.07 4.53 0.00 4.03 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 13 L 8.13 3.98 0.00 1.34 1.57 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.45 4.35 0.00 3.00 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 15 Q 8.23 4.22 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 16 L 8.18 4.31 0.00 1.90 1.80 nan 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.39 4.19 0.00 2.26 2.20 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 2.36 2.58 0.00 18 N 7.82 4.41 0.00 2.51 2.57 0.00 0.00 6.94 7.31 0.00 0.00 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 8.15 4.55 0.00 3.06 2.96 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 20 C 7.26 4.51 0.00 3.07 2.89 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 0.00 0.00 0.00 21 N 8.57 4.51 0.00 2.68 2.71 0.00 0.00 6.87 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