NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9425 8.2127 109.7363 45.4284 0.0000 173.6427 2 I 3.4367 8.1012 117.5603 63.1511 37.4882 173.4102 3 V 3.5008 8.3157 120.0826 65.9449 31.7413 177.2553 4 E 4.0947 8.0057 117.8274 59.0290 29.4349 178.7454 5 Q 3.9246 8.2425 119.7742 59.4938 28.9601 177.6115 6 C 4.2111 7.9599 116.2704 59.8928 40.2429 175.0304 7 C 4.1808 7.4327 119.1729 61.3793 31.5638 175.1165 8 T 4.2175 8.0142 110.7002 63.2953 69.3780 175.0922 9 S 4.7352 8.6761 116.6596 57.7180 62.5518 174.2056 10 I 4.7918 8.2101 111.1853 59.0075 40.3353 172.8706 11 C 5.1550 8.4176 114.5781 53.1314 39.0767 173.6602 12 S 4.9451 8.4349 114.9269 56.5658 65.8869 175.2894 13 L 4.0152 8.3004 121.9338 58.0068 41.0616 179.3926 14 Y 4.1043 7.8735 115.7808 60.9172 38.2027 177.6966 15 Q 4.2588 7.9502 118.9886 58.8532 28.8475 178.4509 16 L 4.3428 7.9719 119.1692 57.2313 41.5455 178.8637 17 E 4.2058 7.8851 117.5406 58.3759 29.2531 178.1779 18 N 4.4479 8.0662 115.5852 54.8549 38.6318 175.0184 19 Y 4.4445 7.2719 116.1843 57.6558 38.6999 175.7036 20 C 4.4701 7.6494 118.0175 59.0767 29.0933 173.5309 21 N 4.5289 8.5938 118.4264 53.7693 38.1235 175.2233 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 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.44 1.65 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.01 0.06 0.00 0.00 3 V 8.32 3.50 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 1.05 0.00 0.00 0.79 0.00 0.00 4 E 8.01 4.09 0.00 2.21 1.96 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 2.38 2.40 0.00 5 Q 8.24 3.92 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 6 C 7.96 4.21 0.00 2.97 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 7 C 7.43 4.18 0.00 2.90 2.92 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 8 T 8.01 4.22 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 1.23 0.00 0.00 9 S 8.68 4.74 0.00 3.79 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.79 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 1.48 0.85 0.92 0.00 0.00 11 C 8.42 5.15 0.00 3.19 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 8.43 4.95 0.00 4.27 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.02 0.00 1.39 1.54 0.82 0.76 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 14 Y 7.87 4.10 0.00 2.99 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 15 Q 7.95 4.26 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 16 L 7.97 4.34 0.00 1.89 1.76 0.91 1.14 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 7.89 4.21 0.00 2.20 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 2.32 2.31 0.00 18 N 8.07 4.45 0.00 2.38 2.48 0.00 0.00 6.85 7.45 0.00 0.00 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 7.27 4.44 0.00 3.12 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.47 0.00 2.94 2.86 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 0.00 0.00 0.00 21 N 8.59 4.53 0.00 2.72 2.74 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