NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9827 8.2127 109.7432 45.1070 0.0000 173.8862 2 I 3.2485 8.2422 117.7263 63.1717 37.3240 172.6563 3 V 3.4998 8.4089 119.9276 66.0191 31.7086 177.0614 4 E 3.9552 8.1073 116.3532 59.7435 29.4385 178.8787 5 Q 4.1956 8.2247 118.1408 58.3267 29.1985 175.8677 6 C 5.1444 8.0676 113.1695 55.9478 41.3015 173.9027 7 C 4.6001 7.9166 116.3267 59.8514 28.3581 173.6558 8 T 4.4201 8.0448 114.7989 64.6205 70.6028 174.1845 9 S 4.8088 7.6007 115.3160 56.0441 65.1068 173.3189 10 I 3.8039 8.1477 124.1741 61.4741 37.4306 176.3940 11 C 4.7878 8.6605 123.4797 56.1646 39.5178 174.4920 12 S 4.4819 9.2910 120.2276 57.8716 64.7156 175.3988 13 L 3.9412 8.5198 122.8486 58.4116 41.1661 179.2513 14 Y 4.0783 8.0484 117.1592 60.9680 39.1541 177.7764 15 Q 4.1335 8.2238 118.8571 59.0324 28.8679 178.6916 16 L 4.2697 8.4524 120.4238 57.8739 41.6349 179.1810 17 E 3.9833 8.2357 119.0989 59.1103 29.2393 178.4826 18 N 4.2114 7.7885 115.7157 55.8236 38.5647 175.7735 19 Y 4.3611 7.6013 115.7321 57.5860 38.6114 175.6217 20 C 4.4474 7.2202 118.1421 59.1845 29.0578 173.4861 21 N 4.5228 8.5804 118.0031 53.8009 38.1057 175.2781 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 3.98 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 0.00 0.00 0.00 2 I 8.24 3.25 1.08 0.00 0.00 0.18 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 0.55 0.70 0.00 0.00 3 V 8.41 3.50 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 8.11 3.96 0.00 2.15 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 0.00 2.33 2.44 0.00 5 Q 8.22 4.20 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 6 C 8.07 5.14 0.00 3.04 3.02 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 0.00 0.00 0.00 0.00 7 C 7.92 4.60 0.00 3.01 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 8.04 4.42 4.25 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 0.00 0.00 1.21 0.00 0.00 9 S 7.60 4.81 0.00 3.99 3.97 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 10 I 8.15 3.80 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 1.42 0.54 0.93 0.00 0.00 11 C 8.66 4.79 0.00 3.00 3.10 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 12 S 9.29 4.48 0.00 4.11 4.05 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 13 L 8.52 3.94 0.00 1.80 1.87 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.05 4.08 0.00 2.92 3.08 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 0.00 0.00 0.00 15 Q 8.22 4.13 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 16 L 8.45 4.27 0.00 1.87 1.79 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.24 3.98 0.00 2.21 1.89 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 2.23 2.33 0.00 18 N 7.79 4.21 0.00 2.53 2.50 0.00 0.00 7.00 7.46 0.00 0.00 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 7.60 4.36 0.00 3.12 3.01 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 0.00 0.00 0.00 20 C 7.22 4.45 0.00 3.03 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 8.58 4.52 0.00 2.72 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