NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8662 8.3544 109.7304 45.3431 0.0000 173.9499 2 I 3.5104 8.0424 119.7424 61.9380 38.5201 172.2501 3 V 5.0468 7.7979 120.7705 60.7388 32.8489 175.6463 4 E 4.2250 8.4759 125.7769 57.8421 28.6555 179.9295 5 Q 3.9344 9.6328 130.4593 60.1135 28.9038 179.1625 6 C 4.3096 7.5635 114.3705 60.2761 40.5920 173.8458 7 C 4.1123 8.1237 122.2967 61.2967 31.8850 174.2670 8 T 4.5257 7.8101 111.6233 64.0524 69.1893 173.3367 9 S 4.4771 8.0438 120.0588 57.8558 64.2528 175.6255 10 I 4.0960 8.3123 130.8964 62.4700 37.6633 174.9925 11 C 4.7227 7.8855 119.5744 56.2281 40.2115 172.6100 12 S 4.4649 8.7574 114.5197 55.7279 66.1767 175.0495 13 L 3.7288 8.1454 125.9593 58.4129 42.1055 178.8583 14 Y 4.4253 7.3761 117.0201 60.4286 36.9661 178.5170 15 Q 4.0987 7.2791 119.3342 58.6420 28.3559 178.4557 16 L 3.1791 7.9707 120.5413 57.4236 41.4249 179.2769 17 E 3.9616 7.6928 117.4638 59.3229 29.0986 179.0202 18 N 4.3960 7.5697 114.9757 56.6661 38.9462 175.9605 19 Y 4.3752 7.8484 117.5649 61.0937 38.2570 176.6584 20 C 4.2991 7.4378 118.3020 59.7757 32.2080 172.9426 21 N 4.0012 8.4479 121.1437 54.6220 38.7391 174.1864 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 8.35 3.87 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 0.00 0.00 0.00 2 I 8.04 3.51 1.52 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.51 -0.23 0.00 0.00 3 V 7.80 5.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.11 0.00 0.00 4 E 8.48 4.23 0.00 2.09 1.59 0.00 0.00 0.00 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 2.50 0.00 5 Q 9.63 3.93 0.00 2.11 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 6 C 7.56 4.31 0.00 3.04 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 8.12 4.11 0.00 3.19 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 8 T 7.81 4.53 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 1.27 0.00 0.00 9 S 8.04 4.48 0.00 3.79 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.31 4.10 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.89 0.00 0.00 11 C 7.89 4.72 0.00 2.83 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.46 0.00 3.45 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.73 0.00 1.55 1.56 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.38 4.43 0.00 3.24 3.20 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 0.00 0.00 0.00 15 Q 7.28 4.10 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.02 0.00 16 L 7.97 3.18 0.00 1.58 1.50 0.72 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.69 3.96 0.00 2.28 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 2.34 0.00 18 N 7.57 4.40 0.00 2.98 3.11 0.00 0.00 7.13 7.40 0.00 0.00 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 7.85 4.38 0.00 3.12 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 7.44 4.30 0.00 2.90 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.00 0.00 2.70 2.64 0.00 0.00 6.89 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00