NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9174 8.3549 109.7315 45.0206 0.0000 174.3837 1 E 4.3032 8.1172 117.7200 54.7987 30.4973 174.3519 2 D 5.0226 7.8412 118.5935 52.7940 40.9519 177.3924 3 V 3.4646 8.0355 121.2145 66.0925 31.9076 175.6372 4 F 5.1840 7.6587 115.5881 55.5055 42.1431 173.8573 5 E 4.9667 8.8886 122.7402 54.4482 33.1311 174.5158 6 V 3.3693 8.5288 126.9735 63.0915 31.7592 175.1927 7 E 4.2305 9.2141 130.8510 58.3685 29.8278 176.3455 8 K 4.3478 7.3166 115.8509 55.9953 35.8811 173.4922 9 I 3.9970 7.9084 121.9271 60.6645 37.2785 176.1331 10 L 4.2159 8.3556 127.3941 57.2998 42.7329 176.1677 11 D 4.8165 6.9865 116.2343 54.2048 45.2818 174.5347 12 M 5.7276 8.9340 116.3260 54.3058 34.7703 174.1687 13 K 4.8085 9.2913 117.8983 56.1681 36.5023 174.6037 14 T 5.0145 8.3327 110.6542 59.9882 71.3960 173.8831 15 E 4.2327 8.6931 123.6500 55.0814 30.9086 175.4416 16 G 3.6012 9.3630 115.9969 46.5713 0.0000 173.6061 17 G 3.9787 8.4468 109.0403 44.8279 0.0000 174.7494 18 K 4.1926 7.4221 119.9853 56.0558 33.5910 176.3642 19 V 4.2663 8.2643 124.7409 62.2350 32.8805 174.5223 20 L 5.2771 8.9595 127.7123 53.1335 45.4744 174.8772 21 Y 5.2046 9.2775 119.8646 56.1523 41.1029 174.5900 22 K 3.7604 8.5627 125.7851 54.9559 33.6699 175.2010 23 V 4.1730 8.6227 127.9192 60.8633 34.1858 174.0342 24 R 4.7696 8.1790 128.3464 54.1832 31.6107 174.8836 25 W 5.0512 8.6753 126.4136 55.1480 30.9996 176.1502 26 K 4.1641 8.8628 124.3847 58.6096 32.0070 176.9331 27 G 3.8486 9.2207 111.7279 45.1141 0.0000 172.5799 28 Y 4.6087 7.8002 116.1350 56.5053 40.5201 174.1569 29 T 4.7465 7.9031 111.0559 59.5477 71.5669 175.2077 30 S 5.1640 8.4655 113.9481 61.0264 62.9850 175.9915 31 D 4.4018 7.7018 120.5060 57.0539 40.5817 177.0803 32 D 4.7536 7.9050 115.7744 53.8921 41.0637 176.3320 33 D 5.1801 8.0847 120.6374 54.4007 42.0487 175.5662 34 T 4.7141 8.3240 110.0789 59.8785 73.0020 172.2442 35 W 5.0455 8.8204 122.3135 55.4655 30.6853 175.5538 36 E 5.0129 9.5529 124.7390 53.4129 32.7022 174.1783 37 P 4.6254 0.0000 0.0000 62.7129 32.2215 176.7007 38 E 3.9959 8.7877 121.5841 59.7049 29.2708 179.3568 39 I 3.7896 7.8802 112.4465 64.6092 37.0804 177.7235 40 H 4.4396 8.3313 116.9309 57.7444 28.7547 176.5809 41 L 4.6265 7.8843 119.0576 54.1679 41.8153 177.8813 42 E 4.0662 7.8392 118.4795 59.0836 29.4440 177.6174 43 D 4.7296 8.0472 116.4461 54.6517 41.4433 177.5479 44 C 4.5590 8.1631 123.1201 58.6220 26.2468 174.7685 45 K 3.9919 7.9795 129.5557 59.7633 31.7814 178.4876 46 E 4.1547 8.0757 119.8222 58.9732 29.4145 179.5139 47 V 3.4946 7.6431 117.8483 65.8358 31.6181 177.8058 48 L 3.8451 8.0427 118.9450 57.7449 41.4483 179.0256 49 L 3.9231 7.9917 120.1737 58.5153 41.9374 178.8973 50 E 3.9393 8.3984 118.4104 59.4313 29.3662 179.2458 51 F 4.3285 8.1581 120.6908 61.2499 39.4704 177.4047 52 R 3.6851 8.1947 117.8818 59.2182 29.7940 179.0977 53 K 3.9148 8.2008 118.3502 59.1687 31.9889 179.1906 54 K 3.8306 7.9948 119.8111 59.5739 31.9443 178.5193 55 I 3.4393 7.0683 118.2534 64.5617 37.1356 177.6517 56 A 4.0826 8.1493 120.1021 55.3705 18.1907 179.3352 57 E 4.0267 8.1785 116.0616 59.6102 29.7288 177.5393 58 N 4.6325 8.3474 119.7506 53.5437 38.7510 174.8483 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 0 G 8.35 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 0.00 0.00 0.00 1 E 8.12 4.30 0.00 2.04 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 2.24 2.36 0.00 2 D 7.84 5.02 0.00 2.73 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 3 V 8.04 3.46 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 4 F 7.66 5.18 0.00 2.96 2.69 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 5 E 8.89 4.97 0.00 2.12 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 2.34 2.36 0.00 6 V 8.53 3.37 1.86 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 0.43 0.00 0.00 0.22 0.00 0.00 7 E 9.21 4.23 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 8 K 7.32 4.35 0.00 1.74 1.77 0.00 1.52 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 1.32 7.81 9 I 7.91 4.00 1.17 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.05 -0.40 0.00 0.00 10 L 8.36 4.22 0.00 1.32 1.59 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 D 6.99 4.82 0.00 2.50 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 12 M 8.93 5.73 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.89 0.00 13 K 9.29 4.81 0.00 1.64 1.82 0.00 0.71 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.66 1.02 7.81 14 T 8.33 5.01 4.19 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 1.18 0.00 0.00 15 E 8.69 4.23 0.00 1.80 1.72 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 2.09 2.10 0.00 16 G 9.36 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 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 18 K 7.42 4.19 0.00 1.71 1.69 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.49 7.81 19 V 8.26 4.27 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 0.45 0.00 0.00 0.86 0.00 0.00 20 L 8.96 5.28 0.00 1.58 1.74 0.82 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 9.28 5.20 0.00 2.77 2.48 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 22 K 8.56 3.76 0.00 0.79 0.78 0.00 1.08 0.00 0.00 1.23 0.00 0.00 2.58 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.75 0.21 7.81 23 V 8.62 4.17 1.68 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 -0.58 0.00 0.00 0.66 0.00 0.00 24 R 8.18 4.77 0.00 1.84 1.75 0.00 3.35 0.00 0.00 3.33 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 25 W 8.68 5.05 0.00 3.33 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 4.16 0.00 2.06 1.89 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.47 7.81 27 G 9.22 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.80 4.61 0.00 3.28 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 29 T 7.90 4.75 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 1.25 0.00 0.00 30 S 8.47 5.16 0.00 4.03 4.18 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 0.00 0.00 0.00 31 D 7.70 4.40 0.00 2.72 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 32 D 7.90 4.75 0.00 2.83 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.08 5.18 0.00 2.56 2.46 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 34 T 8.32 4.71 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 35 W 8.82 5.05 0.00 3.20 3.15 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 0.00 36 E 9.55 5.01 0.00 1.92 1.96 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 2.34 2.50 0.00 37 P 0.00 4.63 0.00 2.11 2.13 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 38 E 8.79 4.00 0.00 1.81 2.01 0.00 0.00 0.00 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 2.43 0.00 39 I 7.88 3.79 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.78 0.93 0.00 0.00 40 H 8.33 4.44 0.00 3.35 3.49 0.00 5.64 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.88 4.63 0.00 1.86 1.59 1.02 0.32 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 42 E 7.84 4.07 0.00 2.07 2.17 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 2.49 2.34 0.00 43 D 8.05 4.73 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 4.56 0.00 2.86 2.81 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 0.00 0.00 0.00 45 K 7.98 3.99 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.10 7.81 46 E 8.08 4.15 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 47 V 7.64 3.49 2.12 0.00 0.00 0.00 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 0.84 0.00 0.00 48 L 8.04 3.85 0.00 1.87 1.71 1.02 0.60 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 49 L 7.99 3.92 0.00 1.89 1.86 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.40 3.94 0.00 2.17 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 2.49 2.45 0.00 51 F 8.16 4.33 0.00 2.94 3.15 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 0.00 52 R 8.19 3.69 0.00 1.99 1.91 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 53 K 8.20 3.91 0.00 1.92 1.83 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.56 7.81 54 K 7.99 3.83 0.00 1.83 1.89 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.49 7.81 55 I 7.07 3.44 1.69 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.22 0.79 0.00 0.00 56 A 8.15 4.08 1.26 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 57 E 8.18 4.03 0.00 2.32 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 2.34 2.22 0.00 58 N 8.35 4.63 0.00 2.79 2.72 0.00 0.00 6.97 7.56 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