NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1285 7.9127 114.0026 61.2059 33.3226 173.8725 3 K 4.4509 8.7057 126.2805 53.7229 35.3037 169.6013 4 V 4.4456 8.7338 125.3310 60.9163 33.9818 173.9059 5 K 5.1472 8.7374 127.8659 55.7837 34.0792 175.7127 6 F 5.1184 8.7884 118.0799 55.5324 42.1376 172.6821 7 K 5.0112 8.8160 120.2032 54.8045 34.7179 174.6803 8 Y 4.4430 9.0464 128.0234 56.7848 41.6846 174.9819 9 K 3.9606 9.2308 128.0442 57.5919 29.2728 176.8820 10 G 4.0551 8.0920 105.9395 45.8242 0.0000 173.3324 11 E 4.3851 7.7106 119.6535 55.0839 30.6332 174.7993 12 E 4.5954 8.4979 124.6331 55.7888 30.7869 175.3372 13 K 4.5759 9.1570 125.4972 54.7770 37.2807 174.4829 14 E 5.1539 8.1582 120.7777 54.8738 32.7966 174.5567 15 V 4.5402 8.6536 124.5992 60.0420 35.3285 174.5116 16 D 4.7557 8.6522 123.1270 54.2650 41.5136 177.5832 17 T 3.9431 8.0857 112.2299 63.8607 69.0579 176.7858 18 S 4.2036 7.9990 117.6060 60.5168 63.1895 174.7189 19 K 4.5355 8.0458 118.2543 55.8856 32.8138 175.5742 20 I 4.5889 7.3159 121.3148 60.7524 37.7079 174.0076 21 K 4.2391 8.6332 125.5490 56.7465 32.0850 176.8125 22 K 4.7151 7.2949 120.4933 56.1074 34.8301 176.8117 23 V 5.2036 8.4829 115.8310 59.7321 35.6525 174.4988 24 W 5.2502 8.8556 120.6535 55.5895 32.0608 173.0396 25 R 4.8376 8.6420 120.4970 54.7194 31.6452 175.8125 26 V 4.0625 8.0414 124.8586 61.2867 34.4636 177.5520 27 G 3.8651 8.5549 118.8836 47.0316 0.0000 172.9803 28 K 4.4971 9.0794 122.7629 55.6460 32.5962 174.9608 29 F 5.5458 8.4319 114.8760 55.0678 41.8816 173.7443 30 V 4.5942 9.1760 120.1588 61.5299 33.0806 174.5684 31 S 5.0102 8.4978 123.1629 56.7150 65.2365 172.4022 32 F 5.1216 7.4928 118.8753 56.2088 41.6118 172.5242 33 T 5.2685 8.9261 109.1544 60.4906 72.2138 172.2332 34 Y 5.3082 8.1894 118.8124 56.1548 41.9987 173.3306 35 D 4.6891 9.0139 121.1876 53.8193 41.4899 177.0104 36 D 4.6452 8.7583 125.5690 55.6023 40.5864 175.6452 37 N 3.7179 8.2230 111.6123 57.4832 36.8851 171.4716 38 G 4.3098 9.2135 118.5804 44.8963 0.0000 172.0507 39 K 4.6152 7.7518 116.8241 54.6788 35.4919 174.7559 40 T 4.6392 8.3217 116.8451 62.6624 69.4902 175.0825 41 G 3.4225 7.9930 114.4020 44.6996 0.0000 172.1982 42 R 5.0549 7.8353 117.8748 54.2177 33.3743 175.4785 43 G 3.1448 7.6126 108.1590 44.7306 0.0000 171.0931 44 A 4.9878 7.6532 119.8342 50.6537 22.1975 176.2462 45 V 4.6904 8.9214 120.2051 59.6424 35.2295 175.1647 46 S 4.5961 8.8223 117.4803 58.5017 63.7681 174.7564 47 E 4.1533 9.1065 122.8564 59.5979 28.9848 179.9603 48 K 4.0218 8.1250 117.2059 59.5851 32.6030 177.6941 49 D 4.6621 7.8011 116.9514 53.1906 41.6475 176.5502 50 A 4.2318 7.3434 123.8118 51.0161 19.3526 175.8682 51 P 4.4901 0.0000 0.0000 61.8923 32.7448 177.0897 52 K 3.8030 8.8622 121.6114 60.1762 31.9063 178.2307 53 E 3.8721 8.2442 118.6191 59.3541 29.3014 178.4868 54 L 3.8798 8.0316 120.2669 58.0279 42.1996 178.9255 55 L 3.9869 7.8211 118.4482 57.6113 41.5446 179.1428 56 D 4.3366 8.3408 119.4816 57.6789 40.7610 178.5353 57 M 4.0534 8.1705 119.2574 58.3378 31.8178 178.6178 58 L 3.9631 8.1980 120.5195 57.9753 42.2570 178.9002 59 A 3.9675 8.0879 120.7910 55.0451 18.1143 179.4563 60 R 3.8107 7.9119 115.8080 59.6854 30.3568 178.1944 61 A 4.1735 8.1972 120.5146 55.3862 18.1399 179.5094 62 E 4.0578 8.3193 116.3067 59.2416 29.5691 178.8609 63 R 4.3413 7.7554 115.4036 56.3846 30.0941 176.1878 64 E 4.2300 7.8716 125.8932 56.3188 29.9808 175.1561 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 4.13 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 0.65 0.00 0.00 0.89 0.00 0.00 3 K 8.71 4.45 0.00 1.79 1.63 0.00 2.02 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.65 7.81 4 V 8.73 4.45 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 0.85 0.00 0.00 0.68 0.00 0.00 5 K 8.74 5.15 0.00 1.77 1.79 0.00 1.54 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.53 7.81 6 F 8.79 5.12 0.00 3.28 3.22 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 7 K 8.82 5.01 0.00 1.76 1.73 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.64 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.37 7.81 8 Y 9.05 4.44 0.00 3.27 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 9 K 9.23 3.96 0.00 2.03 1.87 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.04 1.53 7.81 10 G 8.09 4.06 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 0.00 0.00 0.00 11 E 7.71 4.39 0.00 2.28 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 0.00 2.28 2.25 0.00 12 E 8.50 4.60 0.00 1.91 1.77 0.00 0.00 0.00 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 2.31 0.00 13 K 9.16 4.58 0.00 0.79 1.19 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.16 1.19 7.81 14 E 8.16 5.15 0.00 1.80 1.67 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 2.15 2.25 0.00 15 V 8.65 4.54 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 0.56 0.00 0.00 0.71 0.00 0.00 16 D 8.65 4.76 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.94 4.16 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 1.14 0.00 0.00 18 S 8.00 4.20 0.00 3.88 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 19 K 8.05 4.54 0.00 1.85 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.39 7.81 20 I 7.32 4.59 1.88 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.81 0.00 0.00 21 K 8.63 4.24 0.00 1.72 1.71 0.00 1.92 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.48 7.81 22 K 7.29 4.72 0.00 2.15 2.06 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.50 1.52 7.81 23 V 8.48 5.20 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 0.78 0.00 0.00 1.04 0.00 0.00 24 W 8.86 5.25 0.00 3.27 3.18 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 25 R 8.64 4.84 0.00 1.83 1.98 0.00 3.16 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 26 V 8.04 4.06 0.67 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 0.69 0.00 0.00 0.78 0.00 0.00 27 G 8.55 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 4.50 0.00 1.90 1.89 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.43 7.81 29 F 8.43 5.55 0.00 3.02 3.04 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 0.00 0.00 0.00 30 V 9.18 4.59 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 0.93 0.00 0.00 0.96 0.00 0.00 31 S 8.50 5.01 0.00 3.45 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 7.49 5.12 0.00 3.15 2.93 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 33 T 8.93 5.27 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 34 Y 8.19 5.31 0.00 3.19 3.17 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 0.00 35 D 9.01 4.69 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.65 0.00 2.40 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.72 0.00 2.84 3.15 0.00 0.00 7.59 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 9.21 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.62 0.00 1.88 1.85 0.00 1.29 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.37 7.81 40 T 8.32 4.64 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 1.17 0.00 0.00 41 G 7.99 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 5.05 0.00 1.44 1.69 0.00 3.29 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 43 G 7.61 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.65 4.99 0.94 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 0.00 0.00 0.00 0.00 0.00 45 V 8.92 4.69 2.26 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 0.90 0.00 0.00 1.01 0.00 0.00 46 S 8.82 4.60 0.00 4.05 3.95 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 47 E 9.11 4.15 0.00 2.08 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 0.00 2.35 2.47 0.00 48 K 8.12 4.02 0.00 1.92 1.98 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.56 7.81 49 D 7.80 4.66 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 4.23 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.49 0.00 2.20 2.16 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 52 K 8.86 3.80 0.00 1.87 1.88 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.73 7.81 53 E 8.24 3.87 0.00 2.08 1.91 0.00 0.00 0.00 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 8.03 3.88 0.00 1.66 1.73 0.64 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.82 3.99 0.00 1.88 1.70 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.34 4.34 0.00 2.85 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 8.17 4.05 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.53 0.00 58 L 8.20 3.96 0.00 1.75 1.86 0.99 1.34 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 8.09 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.81 0.00 1.83 2.16 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 61 A 8.20 4.17 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 62 E 8.32 4.06 0.00 2.16 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 2.38 2.49 0.00 63 R 7.76 4.34 0.00 1.80 1.96 0.00 3.11 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 64 E 7.87 4.23 0.00 2.01 1.76 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 2.21 2.36 0.00