NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2613 8.3149 119.9978 56.6191 34.6681 176.4848 2 K 4.1290 7.9431 117.7636 55.5634 30.9660 172.4455 3 V 3.7570 8.0685 119.7664 62.6073 33.6431 175.8375 4 C 4.3020 8.5641 123.6178 56.8526 40.5389 174.3171 5 A 4.2068 8.4052 126.8304 52.1862 16.4276 177.2027 6 C 5.0995 8.1171 117.5752 54.6013 43.8549 172.6012 7 P 4.6245 0.0000 0.0000 62.2459 31.7621 176.7141 8 K 4.1817 8.3829 117.1696 57.6121 32.3180 177.9786 9 I 3.7430 7.6159 120.3820 61.8507 37.4401 176.8587 10 L 4.3782 8.2422 126.0385 53.6843 40.8028 176.4718 11 K 4.8486 8.1518 124.3367 54.0670 32.1465 173.6707 12 P 5.1038 0.0000 0.0000 62.7413 33.2987 177.3336 13 V 4.9465 8.1065 111.9467 59.9690 36.8158 174.9179 14 C 4.5876 9.1433 124.1869 55.5050 45.6006 173.5717 15 G 4.4778 8.9158 114.3574 45.7013 0.0000 174.1647 16 S 4.3739 8.8221 117.0198 61.1820 62.7568 175.7372 17 D 4.3462 8.3248 118.0953 55.3614 41.2430 176.7811 18 G 3.9992 7.9967 106.2730 45.0867 0.0000 173.9935 19 R 3.8926 7.7071 119.7112 56.3569 30.7945 174.8260 20 T 4.6890 7.6221 117.5758 61.0036 70.4685 173.2504 21 Y 4.8876 7.9080 121.2428 55.6724 42.1889 176.3519 22 A 4.0292 8.7822 122.9539 55.0053 18.6314 177.0019 23 N 5.4404 7.5674 109.4793 51.9729 39.9135 174.6731 24 S 4.0487 8.7208 111.3747 61.8078 61.8267 176.4259 25 C 4.1337 8.2502 120.6143 59.8218 44.0945 175.3966 26 I 3.6060 7.7312 119.8894 63.7469 37.4431 177.4665 27 A 2.9166 7.6973 121.6268 55.0560 18.2599 179.8159 28 R 4.0020 8.0719 116.7345 59.6436 29.9168 178.6005 29 C 4.3142 7.6084 116.7291 59.3789 43.7309 174.7641 30 N 4.3088 7.9747 116.6581 54.1252 38.0070 175.8023 31 G 3.8555 7.8242 108.5061 45.1781 0.0000 173.1143 32 V 4.4983 6.9720 116.4637 60.7807 34.6782 174.8935 33 S 4.8060 8.5005 119.1499 57.0914 64.7920 172.2231 34 I 4.8497 8.1290 116.0676 59.4897 38.6607 175.3276 35 K 4.4594 9.0467 126.3212 58.2801 33.4350 175.8837 36 S 4.7424 7.5752 112.5494 57.2075 66.1146 174.4216 37 E 4.3218 8.7492 118.6275 56.8813 30.2182 177.1994 38 G 4.0701 8.5237 106.9813 44.7645 0.0000 173.7850 39 S 4.1979 8.2520 113.4496 58.2130 63.5625 174.5701 40 C 4.5855 8.2485 123.0396 54.8717 44.3672 171.7974 41 P 4.5424 0.0000 0.0000 62.8186 31.5737 176.5496 42 T 3.9024 8.2646 113.9475 63.3823 67.8851 175.0579 43 G 4.1288 8.0233 109.3907 46.4191 0.0000 173.3249 44 I 3.8114 7.5054 121.9601 61.6514 37.9429 175.4767 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 K 8.31 4.26 0.00 1.88 1.98 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.47 7.81 2 K 7.94 4.13 0.00 1.85 1.83 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 3 V 8.07 3.76 2.08 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 0.75 0.00 0.00 1.00 0.00 0.00 4 C 8.56 4.30 0.00 2.98 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 5 A 8.41 4.21 1.25 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 6 C 8.12 5.10 0.00 2.92 2.96 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 7 P 0.00 4.62 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 8 K 8.38 4.18 0.00 1.77 1.90 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 9 I 7.62 3.74 1.88 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 1.42 0.47 0.92 0.00 0.00 10 L 8.24 4.38 0.00 1.62 1.64 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.15 4.85 0.00 1.73 1.71 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.50 7.81 12 P 0.00 5.10 0.00 2.12 2.26 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.85 0.00 13 V 8.11 4.95 2.16 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 1.06 0.00 0.00 1.11 0.00 0.00 14 C 9.14 4.59 0.00 3.00 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 G 8.92 4.48 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 0.00 16 S 8.82 4.37 0.00 3.81 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 17 D 8.32 4.35 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 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 19 R 7.71 3.89 0.00 1.73 1.43 0.00 3.11 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.43 0.00 20 T 7.62 4.69 4.10 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 1.16 0.00 0.00 21 Y 7.91 4.89 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.78 4.03 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 23 N 7.57 5.44 0.00 2.85 2.94 0.00 0.00 6.36 7.64 0.00 0.00 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 S 8.72 4.05 0.00 3.91 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.25 4.13 0.00 3.01 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 26 I 7.73 3.61 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.23 1.03 0.00 0.00 27 A 7.70 2.92 1.11 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 0.00 0.00 28 R 8.07 4.00 0.00 1.75 1.94 0.00 3.27 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 29 C 7.61 4.31 0.00 3.00 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 30 N 7.97 4.31 0.00 2.71 2.68 0.00 0.00 7.13 7.84 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 31 G 7.82 3.86 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 0.00 0.00 0.00 32 V 6.97 4.50 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 0.85 0.00 0.00 0.94 0.00 0.00 33 S 8.50 4.81 0.00 3.94 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.13 4.85 1.92 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 1.24 0.68 0.95 0.00 0.00 35 K 9.05 4.46 0.00 1.74 1.88 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81 36 S 7.58 4.74 0.00 3.90 3.92 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 37 E 8.75 4.32 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 38 G 8.52 4.07 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 0.00 0.00 0.00 39 S 8.25 4.20 0.00 3.96 3.86 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 40 C 8.25 4.59 0.00 2.92 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 41 P 0.00 4.54 0.00 2.20 2.02 0.00 3.80 0.00 0.00 3.57 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 42 T 8.26 3.90 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 43 G 8.02 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.51 3.81 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 1.27 0.85 0.91 0.00 0.00