NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6582 8.2076 120.5381 54.5550 43.4850 177.4856 2 Y 3.9862 8.1217 117.9351 59.4628 37.7472 176.8113 3 L 3.6099 7.4305 121.5636 57.4142 42.0936 180.4223 4 R 3.8483 7.7932 117.5013 59.3241 30.0330 178.3735 5 E 3.9207 8.3977 119.1180 59.4856 29.6438 178.9663 6 L 4.0383 7.8426 118.6630 57.6594 41.6771 179.2429 7 L 3.9813 8.2207 120.6619 57.8078 41.9859 178.8717 8 K 3.9154 8.2604 119.9758 59.6689 32.1905 178.8620 9 L 4.0853 8.0079 119.1077 57.6762 41.3939 179.3810 10 E 4.0652 8.2641 118.8488 59.2940 29.2386 179.3339 11 L 4.0294 8.0624 119.1558 57.7305 41.8116 179.4232 12 Q 4.1145 8.1592 118.2118 58.9870 28.5912 179.3062 13 G 3.6308 8.2349 106.6427 47.8165 0.0000 175.5999 14 I 3.8213 8.2374 121.7323 63.5651 37.9826 177.8009 15 K 3.9104 7.8979 120.5702 59.7898 31.9913 178.8022 16 Q 4.0251 8.0016 117.8237 59.0844 28.4932 178.4455 17 Y 4.0118 8.3127 118.1087 61.1735 37.7141 178.6795 18 R 3.9526 8.1038 117.9595 59.3314 30.4556 178.4028 19 E 4.0551 8.3336 118.8306 58.8739 29.6905 178.4275 20 A 4.2464 8.4592 121.3900 55.3055 18.3003 179.1530 21 L 4.3893 8.0286 114.7336 56.4968 41.7620 178.7307 22 E 4.1590 7.9000 118.9102 59.1939 29.7324 178.0281 23 Y 4.3323 7.7514 115.7412 59.5048 38.4950 176.5372 24 V 4.5115 7.5365 117.4786 59.7891 34.5879 174.5035 25 K 4.2072 8.6144 122.8539 56.1158 32.4597 177.1177 26 L 4.3827 8.1028 122.7457 52.4457 43.1419 172.5829 27 P 4.3096 0.0000 0.0000 65.2068 31.3932 178.1602 28 V 3.6464 7.8342 117.4638 64.8522 31.0784 178.1630 29 L 4.0304 8.0731 119.3246 57.7049 41.4910 179.3887 30 A 3.9616 7.9860 120.0629 54.9920 18.4501 179.7039 31 K 3.9155 7.7747 117.0230 59.5241 31.9964 179.6473 32 I 3.4926 7.7146 120.1354 64.0998 36.9665 178.0713 33 L 3.6309 7.7945 121.3147 58.0280 41.7390 178.6171 34 E 3.7900 8.0290 119.0412 59.3390 29.5341 178.2491 35 D 4.1286 7.6761 118.4615 57.6035 40.9039 178.9794 36 E 3.6681 8.0383 118.8706 59.2517 29.4316 179.0780 37 E 3.8543 8.0445 118.5961 59.4562 29.4893 179.6940 38 K 3.4207 7.4386 117.9655 59.5496 31.9938 179.0769 39 H 4.0290 7.7154 116.4270 58.8873 28.5746 177.9977 40 I 3.7449 7.7354 121.6168 64.2265 36.9365 178.0710 41 E 3.9500 7.9468 120.1825 59.0781 29.4519 178.9493 42 W 4.5037 8.3697 119.4855 59.8144 29.1444 178.5932 43 L 4.0763 8.2430 119.0157 57.8548 40.8674 179.3165 44 E 4.0125 8.0869 117.5058 59.6254 29.4175 179.3495 45 T 4.0383 7.7113 114.8396 66.9338 68.7241 176.6102 46 I 3.8332 7.7642 120.1819 65.3828 37.5016 176.9426 47 L 4.5881 8.1459 119.4421 53.9894 45.1546 176.9987 48 G 4.2621 8.4358 108.6871 46.5139 0.0000 173.5060 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 D 8.21 4.66 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.12 3.99 0.00 3.35 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.43 3.61 0.00 1.29 1.49 0.69 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.79 3.85 0.00 1.89 1.97 0.00 3.13 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 5 E 8.40 3.92 0.00 2.14 2.18 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 0.00 2.34 2.38 0.00 6 L 7.84 4.04 0.00 1.91 1.72 1.04 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.22 3.98 0.00 1.73 1.80 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.26 3.92 0.00 1.93 2.03 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 9 L 8.01 4.09 0.00 1.78 1.73 0.95 1.01 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 10 E 8.26 4.07 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 2.49 2.53 0.00 11 L 8.06 4.03 0.00 1.71 1.72 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.16 4.11 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 13 G 8.23 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.24 3.82 2.02 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 1.44 1.56 0.96 0.00 0.00 15 K 7.90 3.91 0.00 1.82 1.98 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 16 Q 8.00 4.03 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 17 Y 8.31 4.01 0.00 3.10 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 18 R 8.10 3.95 0.00 2.05 2.02 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 19 E 8.33 4.06 0.00 2.05 2.15 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 2.53 2.42 0.00 20 A 8.46 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.39 0.00 1.67 1.76 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.90 4.16 0.00 1.81 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 23 Y 7.75 4.33 0.00 3.15 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 24 V 7.54 4.51 2.14 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 0.81 0.00 0.00 0.96 0.00 0.00 25 K 8.61 4.21 0.00 1.78 1.81 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.43 7.81 26 L 8.10 4.38 0.00 1.65 1.53 0.95 1.01 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 27 P 0.00 4.31 0.00 2.20 2.10 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 28 V 7.83 3.65 2.09 0.00 0.00 0.00 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 0.93 0.00 0.00 29 L 8.07 4.03 0.00 1.92 1.91 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.99 3.96 1.35 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 0.00 0.00 0.00 31 K 7.77 3.92 0.00 1.93 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.61 7.81 32 I 7.71 3.49 1.65 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.04 0.00 0.00 33 L 7.79 3.63 0.00 1.78 1.73 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.03 3.79 0.00 2.13 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 2.22 2.28 0.00 35 D 7.68 4.13 0.00 2.76 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 3.67 0.00 1.90 1.90 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 2.10 2.28 0.00 37 E 8.04 3.85 0.00 2.02 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 2.26 2.38 0.00 38 K 7.44 3.42 0.00 1.16 0.74 0.00 1.45 0.00 0.00 1.41 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.34 7.81 39 H 7.72 4.03 0.00 3.23 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.74 3.74 1.94 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 1.40 0.79 0.89 0.00 0.00 41 E 7.95 3.95 0.00 1.98 1.90 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 2.41 2.38 0.00 42 W 8.37 4.50 0.00 3.57 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 43 L 8.24 4.08 0.00 1.74 1.72 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.09 4.01 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 45 T 7.71 4.04 4.56 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 0.00 0.00 0.00 1.25 0.00 0.00 46 I 7.76 3.83 2.00 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 1.52 0.61 0.90 0.00 0.00 47 L 8.15 4.59 0.00 1.81 1.62 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.44 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00