NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6513 8.3249 119.4797 57.3584 40.3923 173.8630 2 E 4.5408 8.4406 121.4944 53.4449 32.5023 174.3952 3 N 4.5593 9.5209 121.8236 53.8206 39.6858 174.3075 4 R 4.6254 8.4201 124.0475 55.9716 31.1935 178.1868 5 V 3.6235 8.4055 120.9631 66.2600 31.2999 177.9152 6 A 4.3840 7.9426 121.1863 54.6230 18.1803 179.3366 7 E 3.9254 8.0785 116.7875 59.6120 29.5739 179.7579 8 K 4.1689 8.0664 118.0392 59.5322 31.8008 179.3417 9 Q 4.1359 8.7093 119.0004 58.6288 28.4806 178.6787 10 K 3.9797 8.1117 120.7923 59.3583 31.8630 178.5537 11 L 3.7710 7.7819 120.5988 58.1793 41.8127 178.4739 12 F 4.4078 8.0423 114.3309 58.5525 39.2158 176.5915 13 Q 4.6303 7.4396 116.3247 54.1628 29.5074 175.1424 14 E 3.8940 7.2206 121.1429 56.4675 29.9605 177.4881 15 D 4.6756 8.5375 127.2340 53.7548 38.9565 174.7924 16 N 4.7868 7.9985 115.3675 51.2141 38.3814 176.2497 17 G 3.9003 8.1533 105.5082 46.1878 0.0000 173.8748 18 L 4.2291 7.9214 120.0076 53.1875 42.4699 175.3688 19 P 4.5012 0.0000 0.0000 62.0678 32.2244 177.4183 20 V 3.6482 8.6302 119.9149 65.4212 30.9652 177.5165 21 H 4.6211 8.1846 112.9162 56.5934 28.7192 175.2878 22 L 4.6716 8.0773 119.1323 54.1583 43.3343 177.9673 23 K 4.0525 7.8149 118.3271 58.2798 32.2617 177.9219 24 G 3.6509 8.7212 107.6094 47.3760 0.0000 173.5937 25 G 3.6911 7.3123 105.6934 44.1840 0.0000 173.5916 26 A 4.0405 8.6130 120.7452 55.5683 18.1440 180.2115 27 T 3.9082 7.8991 113.9903 66.7417 68.4632 176.3587 28 D 4.4435 7.9826 120.8154 57.4907 40.8133 178.6044 29 N 4.4498 8.1457 116.3847 56.3567 38.5847 177.3868 30 I 3.7178 7.7142 120.8097 64.3648 37.1878 178.1977 31 L 3.9565 8.3213 121.5623 58.2437 41.8137 178.3474 32 Y 4.0960 8.3535 119.5471 60.9760 38.8336 178.3724 33 R 3.6092 8.2237 118.9930 58.9655 30.0913 179.3563 34 V 3.5320 7.9452 118.2408 66.1376 31.5177 178.1730 35 T 3.7950 7.9644 115.6005 67.0283 68.3077 176.3696 36 M 3.9099 8.0090 120.2857 58.7565 32.0451 178.4371 37 T 3.8288 7.8046 116.0515 66.5547 68.5448 176.7570 38 L 3.9842 7.9886 120.9291 57.7771 41.5763 179.4275 39 C 4.1284 8.2141 116.7316 62.9021 28.1746 176.2193 40 L 4.0987 8.3143 121.0535 57.6325 41.1527 179.8186 41 G 3.7107 8.4883 106.2128 47.9024 0.0000 176.0394 42 G 3.7360 8.4072 108.7620 47.6921 0.0000 175.9711 43 T 4.0102 7.9341 118.0687 66.4508 68.4957 176.9278 44 L 4.0831 8.1029 121.0479 57.9642 41.5802 178.9246 45 Y 4.4414 8.4463 119.9968 60.7608 38.7054 178.2360 46 S 3.9351 8.2975 115.3457 61.2711 63.1234 176.5254 47 L 3.9988 8.1290 122.6845 57.6204 41.3488 178.7702 48 Y 4.1182 8.2119 119.5098 60.9874 38.7066 177.8732 49 C 3.9154 8.1396 117.7650 62.6393 28.1419 175.9443 50 L 4.0334 8.1549 122.1514 58.0697 41.4688 179.2425 51 G 3.7106 7.8804 104.7553 47.3932 0.0000 175.3041 52 W 4.2273 8.0826 130.3647 60.3592 30.6474 178.0801 53 A 3.7636 8.2008 118.8743 54.4956 17.8482 179.3633 54 S 3.9346 7.9471 113.1393 59.4948 63.2221 174.3161 55 F 4.5537 6.9543 120.1142 54.3292 40.8577 173.7421 56 P 4.2591 0.0000 0.0000 63.1741 31.7885 176.1512 57 H 4.7178 8.1692 118.2820 57.6279 29.5986 174.5392 58 K 4.3077 8.0586 124.0361 57.0016 32.0291 174.7113 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 F 8.32 4.65 0.00 2.94 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 2 E 8.44 4.54 0.00 2.01 1.84 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 0.00 2.22 2.38 0.00 3 N 9.52 4.56 0.00 2.71 2.78 0.00 0.00 6.87 7.65 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 4 R 8.42 4.63 0.00 1.89 1.90 0.00 3.53 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.55 0.00 5 V 8.41 3.62 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 1.03 0.00 0.00 0.97 0.00 0.00 6 A 7.94 4.38 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 7 E 8.08 3.93 0.00 2.18 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 2.34 2.37 0.00 8 K 8.07 4.17 0.00 2.04 2.08 0.00 2.06 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.62 1.58 7.81 9 Q 8.71 4.14 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 10 K 8.11 3.98 0.00 1.97 1.93 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 L 7.78 3.77 0.00 1.64 1.56 0.66 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.04 4.41 0.00 3.12 3.13 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 13 Q 7.44 4.63 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 14 E 7.22 3.89 0.00 2.09 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 2.29 2.22 0.00 15 D 8.54 4.68 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.00 4.79 0.00 2.78 2.82 0.00 0.00 6.33 7.00 0.00 0.00 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 G 8.15 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 0.00 0.00 0.00 18 L 7.92 4.23 0.00 1.76 1.57 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.50 0.00 2.21 2.16 0.00 3.64 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 1.79 1.84 0.00 20 V 8.63 3.65 2.11 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 0.85 0.00 0.00 0.91 0.00 0.00 21 H 8.18 4.62 0.00 3.30 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.08 4.67 0.00 1.61 1.57 0.70 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.81 4.05 0.00 2.02 2.14 0.00 2.06 0.00 0.00 1.93 0.00 0.00 2.90 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.39 1.34 7.81 24 G 8.72 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 25 G 7.31 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 4.04 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 27 T 7.90 3.91 4.28 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 1.24 0.00 0.00 28 D 7.98 4.44 0.00 2.93 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 29 N 8.15 4.45 0.00 2.96 2.94 0.00 0.00 7.12 7.36 0.00 0.00 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 I 7.71 3.72 2.05 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 1.43 0.81 0.93 0.00 0.00 31 L 8.32 3.96 0.00 1.92 1.74 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.35 4.10 0.00 3.19 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 33 R 8.22 3.61 0.00 2.01 1.92 0.00 3.29 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 34 V 7.95 3.53 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 1.01 0.00 0.00 0.94 0.00 0.00 35 T 7.96 3.79 4.30 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 1.20 0.00 0.00 36 M 8.01 3.91 0.00 1.67 1.52 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 37 T 7.80 3.83 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 1.17 0.00 0.00 38 L 7.99 3.98 0.00 1.83 1.70 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.21 4.13 0.00 3.09 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 40 L 8.31 4.10 0.00 1.70 1.71 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.49 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 0.00 0.00 0.00 0.00 42 G 8.41 3.74 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 0.00 0.00 0.00 43 T 7.93 4.01 4.41 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 1.24 0.00 0.00 44 L 8.10 4.08 0.00 1.93 1.79 0.94 0.62 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 45 Y 8.45 4.44 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 46 S 8.30 3.94 0.00 4.07 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 0.00 47 L 8.13 4.00 0.00 2.01 1.82 0.96 0.53 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 48 Y 8.21 4.12 0.00 3.20 3.26 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 49 C 8.14 3.92 0.00 2.99 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 50 L 8.15 4.03 0.00 1.77 1.86 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.88 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 0.00 0.00 0.00 0.00 52 W 8.08 4.23 0.00 3.02 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 53 A 8.20 3.76 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 54 S 7.95 3.93 0.00 3.96 3.44 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 55 F 6.95 4.55 0.00 2.83 2.84 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 0.00 0.00 0.00 0.00 56 P 0.00 4.26 0.00 2.10 1.94 0.00 3.78 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 57 H 8.17 4.72 0.00 3.02 3.30 0.00 5.98 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.06 4.31 0.00 1.81 1.87 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.36 7.81