NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9646 8.2127 109.7400 45.3425 0.0000 173.4600 2 I 3.1942 8.1819 117.4991 63.2072 37.4790 173.4319 3 V 3.5178 8.3586 120.1321 65.9521 31.6792 177.3114 4 E 3.9646 7.9882 116.6609 59.5621 29.4659 178.9285 5 Q 4.1757 7.9794 117.0741 58.3147 28.9705 177.0061 6 C 4.9928 8.3292 115.7840 56.0969 41.2556 174.0354 7 C 4.4144 8.0475 117.3415 59.9693 28.7866 174.6309 8 T 4.2979 7.9113 116.4877 64.8388 69.1369 174.9247 9 S 4.8026 7.4775 113.7485 55.8110 66.2279 173.0670 10 I 3.8778 8.2370 122.4104 61.6437 37.4295 176.3771 11 C 4.9271 8.4978 122.5309 55.5033 42.7472 174.4869 12 S 4.5306 9.0768 119.7678 57.8164 65.0065 175.5468 13 L 4.0766 8.3988 121.3028 57.8872 41.0382 179.1446 14 Y 4.2224 7.9768 118.6326 60.8049 39.1409 177.5082 15 Q 3.8948 8.0562 118.8874 58.8562 28.7662 178.6423 16 L 4.2413 8.1561 120.0485 57.6513 41.6068 178.9906 17 E 3.9662 8.2451 119.3430 59.0721 29.1909 178.2410 18 N 4.1069 7.6135 116.2646 55.9680 38.8426 174.6914 19 Y 4.4513 7.7137 115.9358 57.7856 38.3270 175.4997 20 C 4.4902 7.6122 118.2598 59.0437 29.1196 173.5531 21 N 4.5332 8.5447 117.6699 53.7986 38.1515 175.3695 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 3.96 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 0.00 0.00 0.00 2 I 8.18 3.19 0.86 0.00 0.00 0.22 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 0.63 0.67 0.00 0.00 3 V 8.36 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 0.98 0.00 0.00 0.87 0.00 0.00 4 E 7.99 3.96 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 5 Q 7.98 4.18 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 6 C 8.33 4.99 0.00 2.92 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 7 C 8.05 4.41 0.00 3.10 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.30 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 7.48 4.80 0.00 3.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.88 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 1.42 0.54 0.92 0.00 0.00 11 C 8.50 4.93 0.00 2.97 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 12 S 9.08 4.53 0.00 4.11 4.07 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 13 L 8.40 4.08 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 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.98 4.22 0.00 2.89 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 15 Q 8.06 3.89 0.00 2.35 2.15 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 2.37 2.47 0.00 16 L 8.16 4.24 0.00 1.89 1.78 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.25 3.97 0.00 2.18 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 0.00 2.31 2.51 0.00 18 N 7.61 4.11 0.00 2.41 2.39 0.00 0.00 7.13 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 19 Y 7.71 4.45 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.49 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.54 4.53 0.00 2.72 2.74 0.00 0.00 6.79 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