NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0512 8.1600 109.1414 44.9817 0.0000 174.2327 2 I 3.3679 8.2618 118.9851 63.4277 37.4343 172.6329 3 V 3.6494 8.4374 120.0636 65.8613 32.2282 176.8942 4 E 4.3216 8.1783 118.6638 57.4230 29.2112 178.1396 5 Q 4.2573 7.7821 117.5309 55.3670 30.3428 176.5385 6 C 5.0034 8.6713 114.3985 56.4382 42.0559 173.3795 7 C 4.5216 7.6844 117.3661 61.0611 33.1340 174.8049 8 T 3.9966 8.4642 110.1350 63.4834 68.6813 174.1692 9 S 4.9490 7.2673 114.4953 55.5509 65.8836 173.1285 10 I 3.9068 8.0156 121.6384 61.3416 37.3359 177.0224 11 C 4.8219 8.5074 124.6721 56.2456 40.9031 172.9373 12 S 4.8387 8.0722 116.0939 55.6837 66.9040 174.6971 13 L 4.0026 8.6285 124.7114 58.5160 41.6141 178.6985 14 Y 3.9970 8.0432 118.3804 60.7519 38.9009 177.8316 15 Q 4.3060 8.0343 117.5148 58.9610 28.8860 178.4239 16 L 4.1310 7.9370 119.9501 58.1773 41.7686 179.6204 17 E 3.9903 8.1727 117.9198 59.2926 29.0585 179.1297 18 N 4.2084 7.5985 115.8474 55.7296 38.5415 175.8235 19 Y 4.3612 7.6867 115.7201 57.2587 38.6269 175.3360 20 C 4.5231 7.2359 118.3648 58.7260 29.4342 173.5307 21 N 4.5162 8.5871 118.6275 53.7500 38.1250 175.1913 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 8.16 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 0.00 0.00 0.00 2 I 8.26 3.37 0.86 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.67 0.00 0.00 3 V 8.44 3.65 2.06 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 1.08 0.00 0.00 0.88 0.00 0.00 4 E 8.18 4.32 0.00 2.28 1.98 0.00 0.00 0.00 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 2.25 0.00 5 Q 7.78 4.26 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 6 C 8.67 5.00 0.00 2.96 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 7 C 7.68 4.52 0.00 2.88 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.00 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 7.27 4.95 0.00 4.02 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 10 I 8.02 3.91 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 1.30 0.54 0.92 0.00 0.00 11 C 8.51 4.82 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.84 0.00 4.09 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.00 0.00 1.82 1.77 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.04 4.00 0.00 3.02 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 8.03 4.31 0.00 2.45 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.55 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 16 L 7.94 4.13 0.00 1.76 1.77 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.17 3.99 0.00 1.93 1.92 0.00 0.00 0.00 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 2.51 0.00 18 N 7.60 4.21 0.00 2.62 2.43 0.00 0.00 6.97 8.20 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 19 Y 7.69 4.36 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.24 4.52 0.00 3.04 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 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