NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9988 8.2127 109.7453 45.0882 0.0000 174.2091 2 I 3.4479 7.9975 117.7826 63.0240 37.4925 172.5374 3 V 3.4564 8.4211 120.2633 65.8339 31.4422 177.3295 4 E 3.9634 8.0506 117.9972 59.4692 29.2125 179.1521 5 Q 4.0872 8.4474 117.6456 58.2035 28.9619 176.9176 6 C 5.0609 8.7201 115.6858 55.5810 41.9288 173.9620 7 C 4.4066 7.8217 118.7263 60.9767 32.4765 174.6413 8 A 4.0666 8.5787 121.5330 54.1944 18.2372 176.6319 9 S 4.7568 7.6325 108.5118 55.9097 65.7523 172.7350 10 V 3.8789 8.0699 121.5431 62.5106 31.7742 176.0203 11 C 4.6873 8.4656 126.5151 55.8017 39.6838 172.1224 12 S 4.7711 7.9995 116.0841 55.7873 67.1965 174.3606 13 L 4.0812 8.4371 121.9432 57.8841 41.5168 177.8817 14 Y 3.8469 7.9953 118.6748 60.9557 39.1730 177.7646 15 Q 4.2987 8.2701 118.3117 58.6941 28.7823 178.5107 16 L 4.2433 8.0119 120.0316 57.7955 41.4975 178.8096 17 E 4.1753 8.4380 116.5080 57.8807 29.4830 178.0812 18 N 4.3967 7.9416 116.1274 54.5310 38.7133 175.0443 19 Y 4.5897 7.7231 117.4011 57.7974 38.2974 175.3715 20 C 4.5811 7.7170 117.3111 58.7998 29.6950 173.5021 21 N 4.5250 8.5307 118.0257 53.6931 38.2817 175.3661 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.45 0.69 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.05 0.63 0.00 0.00 3 V 8.42 3.46 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 0.99 0.00 0.00 0.88 0.00 0.00 4 E 8.05 3.96 0.00 2.25 1.99 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 2.41 2.46 0.00 5 Q 8.45 4.09 0.00 2.04 2.23 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 2.69 2.46 0.00 6 C 8.72 5.06 0.00 2.94 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 7 C 7.82 4.41 0.00 2.88 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 8 A 8.58 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.63 4.76 0.00 3.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 3.88 2.09 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 0.83 0.00 0.00 0.93 0.00 0.00 11 C 8.47 4.69 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.77 0.00 4.11 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 13 L 8.44 4.08 0.00 1.82 1.76 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.00 3.85 0.00 3.06 2.99 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 15 Q 8.27 4.30 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.64 0.00 16 L 8.01 4.24 0.00 1.78 1.78 0.95 0.76 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 8.44 4.18 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 18 N 7.94 4.40 0.00 2.37 2.31 0.00 0.00 6.84 6.76 0.00 0.00 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 7.72 4.59 0.00 2.92 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 7.72 4.58 0.00 2.94 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 21 N 8.53 4.53 0.00 2.71 2.72 0.00 0.00 6.80 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