NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4839 8.0176 117.3231 63.7687 70.5169 172.1193 2 T 4.8229 8.3689 114.5050 59.7991 71.2050 172.9097 3 C 5.0421 9.7272 122.0580 55.4671 45.9559 173.6508 4 C 5.6294 8.9915 120.5006 54.4839 43.0096 173.5545 5 P 3.9227 0.0000 0.0000 64.9510 31.6712 176.5335 6 S 4.7965 7.3006 114.0006 56.7692 66.7076 175.2133 7 I 3.6826 8.1884 122.9678 64.4403 36.7566 178.6837 8 V 3.5587 7.8498 118.4010 66.0476 31.2287 177.7259 9 A 3.9799 7.8339 119.8390 55.1819 18.1506 179.5835 10 R 3.8731 8.0044 117.1931 59.7151 30.2384 178.8920 11 S 4.1769 8.4171 115.2273 61.7831 62.7555 176.4985 12 N 4.4321 8.5560 119.4248 56.1184 38.2577 177.1829 13 F 4.0948 8.6210 122.3184 61.5848 39.3109 176.9972 14 N 4.4552 8.4643 114.9180 56.2774 38.6039 177.3371 15 V 3.7273 7.8532 119.6926 66.0477 31.4229 177.1526 16 C 4.1444 8.2075 117.4821 59.7930 44.8776 175.4492 17 R 3.7008 7.8688 118.6347 57.7672 29.4351 178.5626 18 L 3.9415 7.5061 119.1975 57.3219 41.6426 176.7971 19 P 4.3017 0.0000 0.0000 63.4549 31.6375 176.7378 20 G 4.0404 8.1717 107.5943 45.3324 0.0000 174.0819 21 T 3.8180 7.6514 115.7383 63.1155 69.1191 172.8223 22 P 4.3640 0.0000 0.0000 62.6962 33.2865 177.4683 23 E 4.0286 8.8834 120.2299 59.7449 29.3378 179.6956 24 A 4.0761 8.0100 120.2357 55.1850 18.4569 179.6076 25 I 3.7965 7.6842 117.9762 64.6442 37.4420 179.1310 26 C 4.4123 8.3508 117.2395 59.5947 40.3434 175.9971 27 A 4.2587 8.6139 123.2810 55.6528 17.8969 179.9158 28 T 3.9122 7.6567 106.3812 64.8293 68.9068 175.7907 29 Y 4.3891 8.1276 122.4432 60.0011 38.9041 176.8402 30 T 4.3320 8.1831 108.1750 60.9979 70.3627 175.5474 31 G 4.0005 8.4155 109.7663 45.0879 0.0000 172.8078 32 C 4.9620 7.8514 116.9972 56.8725 41.9473 172.8008 33 I 4.7483 8.7290 113.4140 59.2593 40.9648 174.0869 34 I 4.9318 8.2594 123.6792 59.5645 38.9591 175.0429 35 I 4.7202 8.5671 120.4229 58.3210 39.9909 174.1135 36 P 4.3631 0.0000 0.0000 64.9013 32.0219 176.6702 37 G 3.9777 7.6747 107.4464 44.5094 0.0000 172.8318 38 A 4.5290 8.5324 121.7616 51.8848 20.0937 176.4396 39 T 4.4401 7.6308 112.9484 61.6409 69.3830 174.7570 40 C 4.5188 8.4897 124.4690 55.6462 42.4232 172.4276 41 P 4.6204 0.0000 0.0000 62.1545 31.7784 177.6460 42 G 3.6480 8.6147 108.1581 48.1951 0.0000 174.1615 43 D 4.5366 8.0477 116.9687 53.9254 40.5871 175.8059 44 Y 4.5903 7.8099 116.2780 56.9867 38.0856 175.3873 45 A 4.3892 7.7776 119.7977 52.5591 19.9989 177.6013 46 N 4.5858 8.3130 119.6336 53.1747 38.9603 174.5114 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 T 8.02 4.48 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 2 T 8.37 4.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 3 C 9.73 5.04 0.00 2.75 3.24 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 0.00 4 C 8.99 5.63 0.00 2.70 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 5 P 0.00 3.92 0.00 1.97 1.71 0.00 3.85 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 6 S 7.30 4.80 0.00 3.99 3.91 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 0.00 0.00 0.00 7 I 8.19 3.68 1.86 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 1.52 0.66 0.92 0.00 0.00 8 V 7.85 3.56 2.07 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 1.12 0.00 0.00 0.93 0.00 0.00 9 A 7.83 3.98 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 10 R 8.00 3.87 0.00 1.95 2.12 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 11 S 8.42 4.18 0.00 4.06 3.93 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 12 N 8.56 4.43 0.00 2.90 2.91 0.00 0.00 6.67 8.99 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 13 F 8.62 4.09 0.00 3.22 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.46 4.46 0.00 2.94 2.93 0.00 0.00 7.06 8.47 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 15 V 7.85 3.73 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 1.01 0.00 0.00 1.01 0.00 0.00 16 C 8.21 4.14 0.00 3.15 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 17 R 7.87 3.70 0.00 1.89 1.85 0.00 3.33 0.00 0.00 2.83 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.40 0.00 18 L 7.51 3.94 0.00 1.75 1.73 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.30 0.00 2.13 2.12 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 20 G 8.17 4.04 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 0.00 0.00 0.00 21 T 7.65 3.82 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 22 P 0.00 4.36 0.00 2.14 1.97 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 23 E 8.88 4.03 0.00 2.09 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 2.63 2.47 0.00 24 A 8.01 4.08 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.68 3.80 1.96 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 1.64 0.77 0.85 0.00 0.00 26 C 8.35 4.41 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.61 4.26 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.66 3.91 4.31 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 0.00 0.00 0.00 1.26 0.00 0.00 29 Y 8.13 4.39 0.00 3.02 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 4.33 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 1.41 0.00 0.00 31 G 8.42 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 32 C 7.85 4.96 0.00 2.84 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 33 I 8.73 4.75 1.62 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 0.80 0.43 0.54 0.00 0.00 34 I 8.26 4.93 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.91 0.00 0.00 35 I 8.57 4.72 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 0.80 0.00 0.00 36 P 0.00 4.36 0.00 2.19 2.21 0.00 3.72 0.00 0.00 3.63 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 37 G 7.67 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 38 A 8.53 4.53 1.24 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 0.00 0.00 0.00 39 T 7.63 4.44 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 40 C 8.49 4.52 0.00 2.98 3.21 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 41 P 0.00 4.62 0.00 2.48 2.22 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.99 0.00 42 G 8.61 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.05 4.54 0.00 2.62 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.81 4.59 0.00 2.90 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 45 A 7.78 4.39 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.31 4.59 0.00 3.00 2.67 0.00 0.00 7.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00