NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9942 8.2127 109.7398 45.6839 0.0000 175.7543 2 I 3.5656 7.9807 120.3797 61.8257 38.6923 172.0025 3 V 3.5575 7.4049 118.9985 66.2887 31.4783 176.7078 4 E 3.9663 8.1659 117.1611 59.3930 29.1480 178.2698 5 Q 3.9957 8.2050 122.2284 58.2106 29.4627 177.7953 6 C 4.7419 7.8539 116.0668 59.3287 40.9338 175.5458 7 C 4.1634 8.1640 114.9738 61.5519 27.6913 174.9543 8 T 4.4326 7.3439 116.1344 63.2426 69.4786 174.5817 9 S 4.6418 7.3567 114.9221 57.1126 67.3212 174.3989 10 I 3.9146 8.1986 125.1503 61.4488 37.5137 176.7853 11 C 4.7298 8.5247 122.4122 56.4982 35.8841 173.9858 12 S 4.4278 8.6169 117.1718 57.1440 64.9348 175.0135 13 L 4.0174 7.8453 121.4602 57.5749 40.6867 179.1209 14 Y 4.6532 6.8528 116.5268 60.8981 37.6888 177.7870 15 Q 4.0042 7.9553 118.0532 58.7530 29.1116 178.2212 16 L 4.3506 7.8002 119.8326 57.6861 41.5964 178.7973 17 E 3.9629 8.6953 119.7486 59.6001 29.3555 178.4777 18 N 4.2643 7.6281 113.9804 55.9256 39.3530 175.2645 19 Y 4.6435 8.1086 117.1274 57.7865 38.3108 175.0885 20 C 4.6496 7.7235 118.3397 59.8309 29.0005 173.5930 21 N 4.5593 8.5250 116.8996 53.7588 38.2908 175.5420 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 7.98 3.57 1.21 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.65 0.70 0.00 0.00 3 V 7.40 3.56 2.05 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 1.09 0.00 0.00 0.87 0.00 0.00 4 E 8.17 3.97 0.00 2.25 2.14 0.00 0.00 0.00 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 2.45 0.00 5 Q 8.20 4.00 0.00 2.16 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 6 C 7.85 4.74 0.00 3.28 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.16 0.00 3.01 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 8 T 7.34 4.43 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 9 S 7.36 4.64 0.00 3.84 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.91 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 1.41 0.46 0.90 0.00 0.00 11 C 8.52 4.73 0.00 2.99 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 8.62 4.43 0.00 3.78 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.02 0.00 1.36 1.59 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.85 4.65 0.00 3.00 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 7.96 4.00 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 16 L 7.80 4.35 0.00 1.98 1.77 1.05 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.70 3.96 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 18 N 7.63 4.26 0.00 2.64 2.52 0.00 0.00 7.27 7.42 0.00 0.00 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 8.11 4.64 0.00 3.11 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.65 0.00 3.06 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 21 N 8.52 4.56 0.00 2.73 2.74 0.00 0.00 6.75 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