NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0574 8.1600 109.1443 45.0337 0.0000 174.3371 2 I 2.7341 7.8146 119.5495 62.9584 37.3592 172.9226 3 V 3.4854 8.2750 119.9701 66.0001 31.3712 177.2544 4 E 3.9561 8.0496 117.8820 59.4507 29.1314 178.9600 5 Q 4.1392 8.2720 118.8410 58.2042 29.2849 175.8138 6 C 5.2281 8.3310 113.4106 56.0248 41.2286 174.0599 7 C 4.3239 7.9222 119.2043 61.1828 28.6292 174.9214 8 T 4.3590 7.7873 107.2173 61.7088 69.4880 174.2550 9 S 4.7546 7.5843 115.9876 56.2110 66.2118 172.7276 10 I 4.1124 8.1804 122.2210 60.7227 37.5131 176.3146 11 C 4.8303 8.6685 123.8516 55.7799 41.7072 174.5040 12 S 4.4489 9.0458 120.4809 57.5994 64.8587 174.7841 13 L 3.7457 8.4353 123.1193 58.9700 41.2200 178.7025 14 Y 4.0688 7.4842 114.6544 61.1289 38.0939 177.9634 15 Q 4.2049 8.0596 118.6092 58.7569 28.8188 178.5292 16 L 4.3101 8.3198 120.2874 57.7185 41.5976 179.2125 17 E 3.9152 8.1651 118.5686 59.3075 29.0797 178.5818 18 N 4.1077 7.6083 116.1350 56.5358 38.8605 175.4134 19 Y 4.5308 7.5404 115.3454 57.4472 38.6051 175.5633 20 C 4.4694 7.1405 118.2172 59.1206 29.1462 173.4964 21 N 4.5386 8.5702 117.9606 53.7915 38.1393 175.3125 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 8.16 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 0.00 0.00 0.00 2 I 7.81 2.73 0.56 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.64 0.59 0.00 0.00 3 V 8.28 3.49 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 0.98 0.00 0.00 0.86 0.00 0.00 4 E 8.05 3.96 0.00 2.26 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 2.40 2.42 0.00 5 Q 8.27 4.14 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 6 C 8.33 5.23 0.00 2.95 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 7.92 4.32 0.00 3.03 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 7.79 4.36 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 7.58 4.75 0.00 3.98 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 10 I 8.18 4.11 1.89 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 1.42 0.57 0.93 0.00 0.00 11 C 8.67 4.83 0.00 3.01 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 12 S 9.05 4.45 0.00 4.21 4.12 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 13 L 8.44 3.75 0.00 1.50 1.36 0.13 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.48 4.07 0.00 3.06 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 8.06 4.20 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 16 L 8.32 4.31 0.00 1.84 1.78 0.93 1.15 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 8.17 3.92 0.00 2.22 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 2.30 2.53 0.00 18 N 7.61 4.11 0.00 2.42 2.09 0.00 0.00 7.20 8.86 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 19 Y 7.54 4.53 0.00 3.16 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 20 C 7.14 4.47 0.00 3.09 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.57 4.54 0.00 2.70 2.74 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