NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.6294 8.4401 117.8400 54.4243 30.9621 173.8803 4 A 4.5165 7.1248 129.7325 51.6961 20.1041 175.1277 5 D 4.7791 7.6327 124.4915 50.1631 44.0353 172.2883 6 P 4.3327 0.0000 0.0000 65.6227 31.7276 178.4170 7 I 3.8645 8.1832 119.4749 63.3555 37.3425 175.6217 8 C 4.3429 7.6185 117.2891 58.6157 40.3525 173.6340 9 N 4.1490 9.1211 120.1274 53.4783 36.6051 174.2198 10 K 4.3420 7.7134 121.1295 54.9715 33.6898 174.3179 11 P 4.7859 0.0000 0.0000 63.3027 31.6860 176.0773 12 C 4.9579 8.3666 124.5523 55.1351 45.8832 172.5801 13 K 4.2522 8.2753 118.5391 57.1601 37.5560 174.3919 14 T 4.8318 7.3126 111.7857 62.1758 72.4782 174.0114 15 H 4.5645 8.7827 118.1030 57.4378 29.4333 176.4515 16 D 4.5144 7.9880 119.3838 56.8074 41.4387 177.0739 17 D 4.7058 7.7239 114.5135 55.0962 41.0055 176.4342 18 C 4.8026 7.3349 117.0424 59.6797 38.7638 174.8858 19 S 3.1765 5.8884 111.8576 58.1370 64.2552 175.1955 20 G 4.2518 7.3201 119.5003 45.9735 0.0000 171.9715 21 A 4.4925 8.0615 128.6027 50.4451 19.5189 179.0909 22 W 3.7001 8.3005 115.6714 58.1503 28.9105 174.2988 23 F 4.0125 11.2549 118.2776 58.8835 39.5356 174.6997 24 C 4.4716 6.4959 126.4844 57.1179 38.7210 173.0611 25 Q 4.5524 7.9176 118.9092 54.8469 30.8828 174.4491 26 A 4.3972 7.7483 122.1410 49.9571 21.6164 175.6199 27 C 4.6329 8.0564 121.6386 55.8255 39.9837 172.7619 28 W 4.8222 8.2771 125.6257 54.6086 30.3658 176.7017 29 N 4.9593 8.5306 126.5803 52.8266 38.0322 176.0561 30 S 4.5795 7.4366 107.0723 58.4990 65.0383 175.2324 31 A 4.5730 8.1679 119.9883 52.4372 20.5323 176.1378 32 R 4.6175 7.3598 121.7326 56.8249 30.1381 175.4323 33 T 4.9623 7.6316 116.1571 61.4256 73.4667 174.3962 34 C 4.2387 9.1734 124.4965 57.8979 41.9604 173.4804 35 G 3.4725 8.0436 109.5895 43.6852 0.0000 169.7167 36 P 4.8900 0.0000 0.0000 60.6589 33.1812 175.1059 37 Y 4.2897 8.1705 117.8200 57.6440 38.5637 176.4736 38 V 4.0167 8.4322 116.8925 61.5407 31.8905 175.8175 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 3 H 8.44 4.63 0.00 3.20 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.12 4.52 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.63 4.78 0.00 2.33 2.46 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 0.00 0.00 0.00 0.00 6 P 0.00 4.33 0.00 2.24 2.21 0.00 3.96 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 7 I 8.18 3.86 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.87 0.00 0.00 8 C 7.62 4.34 0.00 3.09 2.94 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 9 N 9.12 4.15 0.00 2.76 2.89 0.00 0.00 6.93 5.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.71 4.34 0.00 1.86 1.86 0.00 1.50 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.38 7.81 11 P 0.00 4.79 0.00 2.09 2.03 0.00 3.75 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 12 C 8.37 4.96 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.25 0.00 1.71 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.44 7.81 14 T 7.31 4.83 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 15 H 8.78 4.56 0.00 3.15 3.43 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.99 4.51 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.72 4.71 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 7.33 4.80 0.00 3.14 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 19 S 5.89 3.18 0.00 3.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.32 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 0.00 0.00 0.00 0.00 21 A 8.06 4.49 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 W 8.30 3.70 0.00 3.72 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 11.25 4.01 0.00 1.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 6.50 4.47 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.92 4.55 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 26 A 7.75 4.40 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.06 4.63 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.28 4.82 0.00 3.01 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.53 4.96 0.00 2.72 2.84 0.00 0.00 7.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.44 4.58 0.00 3.93 3.87 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 31 A 8.17 4.57 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.36 4.62 0.00 1.75 1.94 0.00 3.53 0.00 0.00 3.32 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.52 0.00 33 T 7.63 4.96 4.33 0.00 0.00 0.00 0.00 0.00 0.00 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 34 C 9.17 4.24 0.00 2.88 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.04 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.89 0.00 1.44 0.77 0.00 3.10 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 0.00 37 Y 8.17 4.29 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 38 V 8.43 4.02 2.06 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 0.91 0.00 0.00 0.66 0.00 0.00