NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9646 8.2127 109.7384 45.2802 0.0000 175.2261 2 I 3.3132 8.4461 119.2349 63.2720 37.6566 172.7602 3 V 3.4796 8.3866 119.8160 66.9963 31.7287 176.4354 4 E 3.9654 8.4582 117.8346 58.4256 28.6746 179.0451 5 Q 3.8581 8.5354 120.5228 60.1293 29.4950 179.4981 6 C 4.3698 8.3763 117.1474 59.5779 40.2689 174.4747 7 C 4.2560 7.3545 119.3041 61.0807 32.0437 175.0275 8 T 4.0432 8.2471 109.9741 64.2751 68.9286 174.0495 9 S 5.2165 8.8219 119.1431 55.9692 65.5006 173.0422 10 I 4.5596 8.1412 113.8888 59.9315 39.4898 173.5571 11 C 5.3509 8.5619 115.3116 52.5110 42.1335 173.5264 12 S 4.7813 8.4195 115.0254 56.9161 64.8330 174.9378 13 L 3.8721 8.4511 121.3177 58.4963 40.9641 179.4442 14 Y 4.2451 7.5909 114.9524 61.3177 38.0071 178.3673 15 Q 4.2564 8.1722 118.5694 58.8754 28.8069 178.6891 16 L 4.1199 7.7091 119.9007 57.5309 41.6421 179.1127 17 E 4.0804 8.1781 118.2661 59.3636 29.1459 178.7380 18 N 4.4624 7.9123 115.2085 55.3413 38.6339 175.0763 19 Y 4.3175 7.7273 116.3975 57.7775 38.6913 175.7483 20 C 4.4420 7.7988 118.1771 59.1615 29.0974 173.2488 21 N 4.4947 8.5538 118.9930 54.0121 38.5829 174.8698 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 8.45 3.31 1.09 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.19 0.10 0.00 0.00 3 V 8.39 3.48 2.02 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 0.97 0.00 0.00 0.83 0.00 0.00 4 E 8.46 3.97 0.00 2.25 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 5 Q 8.54 3.86 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 6 C 8.38 4.37 0.00 2.96 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 4.26 0.00 2.97 3.06 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 0.00 0.00 0.00 0.00 8 T 8.25 4.04 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 1.24 0.00 0.00 9 S 8.82 5.22 0.00 3.96 3.85 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 10 I 8.14 4.56 1.87 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 1.48 0.64 0.91 0.00 0.00 11 C 8.56 5.35 0.00 3.05 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 8.42 4.78 0.00 4.15 4.10 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 13 L 8.45 3.87 0.00 1.27 1.52 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.59 4.25 0.00 3.05 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 8.17 4.26 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 16 L 7.71 4.12 0.00 1.89 1.73 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.18 4.08 0.00 2.38 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 18 N 7.91 4.46 0.00 2.80 2.72 0.00 0.00 6.94 8.64 0.00 0.00 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 7.73 4.32 0.00 3.18 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 20 C 7.80 4.44 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.49 0.00 2.68 2.70 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