NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0961 7.9133 120.6514 62.7152 33.1226 173.7063 3 K 4.7855 8.6940 127.3986 53.7934 34.4154 170.3365 4 V 4.3509 9.6320 126.2891 61.1745 33.9255 174.1258 5 K 5.2795 8.3999 126.9551 54.8427 34.7137 175.1131 6 F 4.8021 8.0915 117.5508 56.3823 41.8019 172.2230 7 K 4.9959 8.9388 120.2551 54.7886 34.4924 174.5759 8 Y 4.6121 8.7316 127.3399 56.9970 41.6888 175.0860 9 K 3.6873 9.2684 126.4714 57.5385 29.7875 176.1829 10 G 3.9322 8.4094 104.3949 45.5425 0.0000 173.5553 11 E 4.6058 8.0387 120.2335 54.1379 31.4668 174.6827 12 E 4.4989 8.6121 125.0275 55.9457 30.5510 175.7035 13 K 4.5966 9.0153 125.3349 54.5388 36.7759 175.0592 14 E 5.0674 8.3772 120.6098 54.7425 33.0744 175.4206 15 V 4.3909 8.9500 124.3063 59.6274 34.9101 174.8296 16 D 4.8526 8.6022 123.3644 53.7835 42.1359 177.1761 17 T 3.7449 8.7345 116.4391 64.4468 68.7919 176.3556 18 S 4.2514 8.3165 115.9359 60.1238 63.1677 174.9218 19 K 4.3774 8.1491 120.3487 56.5666 32.5976 176.4103 20 I 4.3844 7.4267 121.4236 61.5088 37.5506 175.6364 21 K 4.4360 9.1928 125.7594 58.1711 32.9726 177.3250 22 K 4.9120 8.1591 118.1293 54.6631 36.6434 175.5401 23 V 5.1629 8.6074 122.1430 61.1529 34.6958 174.1689 24 W 5.4086 9.0126 123.6033 55.3112 32.3916 173.0930 25 R 5.0073 8.8274 120.7664 54.5504 31.2755 175.5731 26 V 4.4266 8.6891 126.3026 60.4593 33.9000 176.9659 27 G 3.9622 8.6114 116.8031 46.9735 0.0000 173.2822 28 K 4.6638 8.9695 122.5905 55.6333 33.5273 173.8866 29 A 4.9107 8.3788 122.4937 50.1628 22.4456 176.4647 30 V 4.4856 8.6236 120.1959 61.2999 33.5278 174.6360 31 S 4.7123 8.1922 123.2187 56.4982 65.3181 172.4820 32 F 4.9992 7.3117 118.8738 56.1810 41.6106 172.6106 33 T 5.3183 8.9902 109.4991 60.4055 72.0780 172.3826 34 Y 5.4148 8.1450 119.0135 55.8193 41.8828 173.2489 35 D 4.7414 9.1379 121.6230 53.5339 42.0094 176.2339 36 D 4.8427 8.4558 124.0634 54.4922 41.2605 175.6240 37 N 3.9451 9.1792 116.6116 52.8484 37.0386 172.3293 38 G 4.3970 8.3620 116.9637 45.0531 0.0000 172.2112 39 K 4.2735 7.6475 118.5655 55.6826 34.1091 175.3849 40 T 4.6712 8.2185 116.6909 62.0494 70.1102 174.8029 41 G 3.4051 8.0459 114.1540 44.6731 0.0000 172.3122 42 R 4.9887 7.6803 117.6014 54.4485 33.9292 175.0332 43 G 3.2424 7.5774 107.0518 45.4862 0.0000 171.5741 44 A 4.6244 7.4321 119.3286 50.8193 21.9790 176.0202 45 V 4.6016 8.7504 113.4283 59.1771 36.8822 175.2532 46 S 4.4341 8.5604 116.3841 58.0644 63.1364 174.6790 47 E 3.9419 8.5816 128.0531 59.1300 29.4668 179.0012 48 K 4.1647 8.0289 116.0563 58.6605 32.9297 176.9744 49 D 4.7258 8.1476 118.3629 53.8600 41.3381 176.0347 50 A 4.3394 7.4464 123.1562 50.4460 19.6575 176.1798 51 P 4.4488 0.0000 0.0000 62.0187 32.5788 177.1959 52 K 3.7895 8.7518 120.6874 59.9927 31.9165 178.5038 53 E 3.9815 8.1469 118.8722 59.1956 29.4892 178.5219 54 L 3.8585 7.8501 120.3419 58.0482 42.0852 178.8895 55 L 4.0002 7.8236 118.4770 57.8758 41.4952 179.0830 56 D 4.3398 8.6619 119.3007 57.5675 40.7390 178.6811 57 M 4.0431 7.9272 119.2585 58.1800 31.9157 178.5790 58 L 3.9773 8.0230 120.3155 58.1414 42.0855 178.9253 59 A 4.6198 8.0019 121.1833 54.6856 18.7156 179.2756 60 R 3.9640 8.3159 117.2538 59.4441 29.6241 178.5602 61 A 4.1517 8.1625 120.6425 55.3470 18.5150 179.5023 62 E 4.0377 8.3943 116.8198 58.9940 29.2656 179.0952 63 R 4.2658 7.5513 116.1082 56.2860 30.9905 176.9011 64 E 4.0580 7.2799 117.6034 56.5835 30.1138 177.1886 65 K 4.1901 8.5098 120.5694 56.6033 32.3984 176.3499 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 2 V 7.91 4.10 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 0.98 0.00 0.00 0.90 0.00 0.00 3 K 8.69 4.79 0.00 1.71 1.66 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.42 7.81 4 V 9.63 4.35 1.95 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 0.95 0.00 0.00 0.70 0.00 0.00 5 K 8.40 5.28 0.00 1.68 1.67 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.39 7.81 6 F 8.09 4.80 0.00 3.18 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.94 5.00 0.00 1.91 1.75 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.47 7.81 8 Y 8.73 4.61 0.00 3.38 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 9 K 9.27 3.69 0.00 1.95 1.83 0.00 1.90 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.06 1.09 7.81 10 G 8.41 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 0.00 0.00 0.00 11 E 8.04 4.61 0.00 2.17 1.85 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 2.25 2.24 0.00 12 E 8.61 4.50 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 13 K 9.02 4.60 0.00 0.79 1.06 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.38 7.81 14 E 8.38 5.07 0.00 1.70 1.74 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 2.14 2.19 0.00 15 V 8.95 4.39 1.58 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 0.87 0.00 0.00 0.67 0.00 0.00 16 D 8.60 4.85 0.00 2.75 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.73 3.74 4.15 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 1.15 0.00 0.00 18 S 8.32 4.25 0.00 4.01 4.03 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 0.00 0.00 0.00 19 K 8.15 4.38 0.00 1.96 2.00 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.58 7.81 20 I 7.43 4.38 1.92 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.45 0.93 0.00 0.00 21 K 9.19 4.44 0.00 1.69 1.91 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.60 7.81 22 K 8.16 4.91 0.00 1.97 1.95 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.69 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 23 V 8.61 5.16 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 0.85 0.00 0.00 0.94 0.00 0.00 24 W 9.01 5.41 0.00 3.35 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 25 R 8.83 5.01 0.00 1.88 1.94 0.00 3.21 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 26 V 8.69 4.43 2.35 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 0.76 0.00 0.00 1.04 0.00 0.00 27 G 8.61 3.96 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 0.00 0.00 0.00 28 K 8.97 4.66 0.00 1.70 1.78 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.42 7.81 29 A 8.38 4.91 1.21 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 0.00 0.00 30 V 8.62 4.49 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 0.98 0.00 0.00 0.91 0.00 0.00 31 S 8.19 4.71 0.00 3.30 2.63 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 32 F 7.31 5.00 0.00 3.15 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.99 5.32 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 1.40 0.00 0.00 34 Y 8.15 5.41 0.00 3.17 3.16 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 0.00 35 D 9.14 4.74 0.00 2.72 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 36 D 8.46 4.84 0.00 2.67 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 37 N 9.18 3.95 0.00 2.82 2.76 0.00 0.00 7.58 7.98 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 38 G 8.36 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.65 4.27 0.00 1.92 1.93 0.00 1.48 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.70 1.40 7.81 40 T 8.22 4.67 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 41 G 8.05 3.41 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 0.00 42 R 7.68 4.99 0.00 0.93 1.40 0.00 3.32 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 43 G 7.58 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 0.00 0.00 0.00 44 A 7.43 4.62 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 4.60 2.13 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 0.82 0.00 0.00 0.96 0.00 0.00 46 S 8.56 4.43 0.00 3.86 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 47 E 8.58 3.94 0.00 2.09 1.94 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 2.30 2.26 0.00 48 K 8.03 4.16 0.00 1.91 1.93 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.46 7.81 49 D 8.15 4.73 0.00 2.67 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 50 A 7.45 4.34 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.45 0.00 2.19 2.15 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 52 K 8.75 3.79 0.00 1.82 1.85 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.50 7.81 53 E 8.15 3.98 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 54 L 7.85 3.86 0.00 1.66 1.68 0.61 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.82 4.00 0.00 1.83 1.69 0.91 1.09 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 56 D 8.66 4.34 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 M 7.93 4.04 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 58 L 8.02 3.98 0.00 1.77 1.88 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.00 4.62 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 60 R 8.32 3.96 0.00 2.01 2.10 0.00 3.11 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 1.65 0.00 61 A 8.16 4.15 1.46 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 0.00 0.00 62 E 8.39 4.04 0.00 2.22 2.04 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 2.37 2.55 0.00 63 R 7.55 4.27 0.00 1.95 1.98 0.00 3.18 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 64 E 7.28 4.06 0.00 2.00 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 2.42 2.53 0.00 65 K 8.51 4.19 0.00 1.73 1.70 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81