NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9918 8.2127 109.7444 45.0914 0.0000 173.8516 2 I 3.2933 8.0615 119.0096 62.4953 37.4442 172.6604 3 V 3.5309 8.3674 120.0549 65.9743 31.6720 177.2701 4 E 3.9615 8.0235 116.7480 59.5229 29.4548 178.6737 5 Q 4.1874 8.1089 118.5136 58.2158 29.2815 175.6867 6 C 5.2194 8.0723 113.1793 55.6652 42.0895 174.1689 7 C 4.2198 7.9536 116.3834 60.3447 28.7730 175.1059 8 T 4.1884 7.9961 109.3529 63.5210 69.2369 175.0277 9 S 4.8315 7.5318 117.7327 55.4153 66.0791 173.4342 10 I 3.8600 8.2171 123.8881 61.6542 37.3255 176.4644 11 C 4.9245 8.5487 123.2356 55.6156 42.7498 174.4189 12 S 4.4635 8.9061 119.4378 57.8800 64.8551 175.5392 13 L 3.9509 8.1902 121.6331 58.0440 40.9884 179.4357 14 Y 4.3017 7.4482 115.6371 61.1194 38.0500 178.0169 15 Q 4.2185 8.2289 118.9962 59.0977 28.7964 178.8631 16 L 4.2668 8.1891 119.9512 57.7198 41.6396 179.0511 17 E 4.0295 8.2731 119.0255 58.7539 29.2787 178.3061 18 N 4.3066 7.7692 115.8577 55.8548 38.3895 175.5646 19 Y 4.4974 8.0223 116.9206 57.1563 38.3319 175.4093 20 C 4.4331 7.1758 118.1547 59.3557 29.0256 173.5160 21 N 4.5467 8.5623 117.6731 53.8040 38.1596 175.3783 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 8.06 3.29 0.68 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.99 0.65 0.00 0.00 3 V 8.37 3.53 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.02 3.96 0.00 2.14 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 2.43 0.00 5 Q 8.11 4.19 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 6 C 8.07 5.22 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 7 C 7.95 4.22 0.00 3.12 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.19 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 7.53 4.83 0.00 3.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.86 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.47 0.91 0.00 0.00 11 C 8.55 4.92 0.00 2.98 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 12 S 8.91 4.46 0.00 4.06 4.06 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 13 L 8.19 3.95 0.00 1.34 1.57 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.45 4.30 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 15 Q 8.23 4.22 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 8.19 4.27 0.00 1.90 1.80 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.27 4.03 0.00 2.25 2.25 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 2.35 2.40 0.00 18 N 7.77 4.31 0.00 2.53 2.49 0.00 0.00 6.93 7.31 0.00 0.00 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 8.02 4.50 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 7.18 4.43 0.00 3.06 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.55 0.00 2.73 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