NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1262 7.9133 120.6529 62.6479 33.1849 173.8274 3 K 4.8817 8.6524 126.5953 53.7309 35.1442 170.1412 4 V 4.3455 9.1833 126.0098 61.3544 33.6174 174.1954 5 K 5.2517 8.6210 127.1592 55.2060 34.6468 175.2341 6 F 5.0670 8.3788 117.4063 55.6984 41.6135 172.7440 7 K 4.8449 8.7021 119.6248 55.5094 34.4773 175.1011 8 Y 4.4800 8.5916 124.2625 56.6909 41.4914 175.0775 9 K 3.6535 9.0274 127.3732 57.6668 29.2297 178.2532 10 G 4.0160 8.2241 107.0083 45.8354 0.0000 173.5936 11 E 4.5759 7.7828 121.6725 54.7707 31.2575 175.0686 12 E 4.5927 8.6447 124.9921 56.0566 31.0025 175.7349 13 K 4.5829 8.8954 122.0061 54.5412 36.8904 174.5435 14 E 5.2124 8.2350 121.1579 54.7831 32.7376 174.6384 15 V 4.4663 9.0377 125.7318 59.7564 35.2120 174.2944 16 D 4.8661 8.7120 124.1909 53.9471 42.0642 176.9110 17 T 3.7323 8.9945 117.6375 64.7211 68.7174 176.3373 18 S 4.2331 8.7257 115.9502 60.1626 63.1752 174.9629 19 K 4.3629 8.1817 120.0704 56.6978 32.5482 176.5913 20 I 4.3513 7.4804 121.2499 61.5838 37.5651 175.1372 21 K 4.5549 9.3259 124.5235 57.5759 33.6301 176.9253 22 K 4.9400 8.2009 118.4744 54.6305 36.1873 175.5468 23 V 5.2064 8.5713 122.0388 61.3803 34.8543 174.0928 24 W 5.1900 8.8630 122.5665 55.6415 31.8412 172.9707 25 R 4.7014 8.6587 121.3694 55.1636 31.2927 176.2108 26 V 4.0220 8.0988 125.2316 61.3394 33.9353 177.0604 27 G 4.1517 8.1020 119.4724 46.9464 0.0000 172.7802 28 K 4.4065 8.8668 124.7594 55.7523 32.2855 175.0700 29 F 5.5362 8.2780 115.2682 55.0151 41.7017 174.0410 30 V 4.6253 9.3431 120.1463 61.3737 33.2945 174.4055 31 S 4.7720 8.7340 123.2764 56.7367 64.8120 172.4933 32 F 5.0833 7.4560 118.8408 56.3137 41.5861 172.6722 33 T 5.3160 9.3119 110.0385 60.3535 71.9782 172.4128 34 Y 5.3110 8.6570 120.0914 55.8845 42.4175 173.4665 35 D 4.8869 9.1842 120.8926 53.1665 41.9217 175.7748 36 D 4.6630 9.2842 128.3085 53.0811 41.0871 176.2164 37 N 4.0389 9.7549 128.0551 54.2750 36.3441 173.8022 38 G 4.3414 9.1598 112.1721 45.7351 0.0000 174.1004 39 K 4.3041 7.7405 119.1027 55.8822 33.9018 175.3850 40 T 4.7399 8.2249 117.1505 62.4731 69.6512 174.4695 41 G 3.7266 8.2251 112.9889 44.2567 0.0000 171.8311 42 R 5.0078 8.1247 118.4882 54.3774 32.7348 175.7612 43 G 3.2522 7.9666 108.0732 44.9406 0.0000 171.1441 44 A 4.8149 7.1179 120.0789 50.5782 22.2644 176.0090 45 V 4.5942 8.7214 118.1640 60.1617 35.5422 174.7457 46 S 4.6424 8.7499 118.4179 58.4159 63.7185 175.0519 47 E 3.9992 9.2844 124.9370 59.4618 29.0980 179.7048 48 K 4.0833 8.0707 117.2711 59.4133 32.8222 177.7523 49 D 4.7173 7.6667 116.9717 53.1152 41.4421 176.4456 50 A 4.1002 7.1956 124.1446 50.9003 19.0659 176.4440 51 P 4.3731 0.0000 0.0000 62.8905 33.1252 177.4151 52 K 3.9022 8.5983 119.9260 59.7218 32.0940 178.7232 53 E 4.0170 8.0980 119.2646 59.1033 29.4963 178.4446 54 L 3.8825 7.7377 119.9940 58.0225 42.2742 178.7333 55 L 3.9795 7.8182 118.9682 57.7379 41.4045 179.2931 56 D 4.3449 8.3110 119.2457 57.4981 40.7029 178.4203 57 M 4.0133 7.9170 119.2207 58.4835 31.9855 178.5943 58 L 3.9514 8.1484 120.0692 58.1080 42.2902 178.7985 59 A 4.0000 8.1074 120.6531 55.3422 18.1398 179.7900 60 R 3.8935 8.4148 116.7040 59.3537 29.9844 179.2201 61 A 4.0454 8.2123 120.7613 55.2223 18.2147 179.4941 62 E 4.0749 8.2732 115.7433 58.9166 29.5587 179.2529 63 R 4.1881 7.6424 117.7023 58.6945 30.4018 178.2163 64 E 4.0269 7.8608 116.6397 57.3157 29.9191 176.9527 65 K 4.1826 7.7430 122.6475 56.6904 32.8283 175.0821 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 2.12 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 0.86 0.00 0.00 0.93 0.00 0.00 3 K 8.65 4.88 0.00 1.70 1.64 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.48 7.81 4 V 9.18 4.35 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.66 0.00 0.00 5 K 8.62 5.25 0.00 1.72 1.86 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.42 7.81 6 F 8.38 5.07 0.00 3.27 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 7 K 8.70 4.84 0.00 1.75 1.81 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.65 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.41 7.81 8 Y 8.59 4.48 0.00 3.13 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 9 K 9.03 3.65 0.00 2.10 1.90 0.00 1.92 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.41 1.57 7.81 10 G 8.22 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.78 4.58 0.00 2.10 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 12 E 8.64 4.59 0.00 1.91 1.87 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 2.21 2.26 0.00 13 K 8.90 4.58 0.00 0.79 1.39 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 1.09 7.81 14 E 8.24 5.21 0.00 1.81 1.69 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 2.15 2.26 0.00 15 V 9.04 4.47 1.73 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 0.84 0.00 0.00 0.68 0.00 0.00 16 D 8.71 4.87 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 3.73 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 1.16 0.00 0.00 18 S 8.73 4.23 0.00 3.95 4.05 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 0.00 0.00 0.00 19 K 8.18 4.36 0.00 1.98 2.15 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.61 7.81 20 I 7.48 4.35 1.89 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 0.87 0.00 0.00 21 K 9.33 4.55 0.00 1.67 1.90 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.70 7.81 22 K 8.20 4.94 0.00 1.98 1.96 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 23 V 8.57 5.21 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 0.86 0.00 0.00 0.96 0.00 0.00 24 W 8.86 5.19 0.00 3.37 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 25 R 8.66 4.70 0.00 1.84 1.87 0.00 3.17 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 26 V 8.10 4.02 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 0.72 0.00 0.00 0.87 0.00 0.00 27 G 8.10 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 0.00 0.00 0.00 0.00 28 K 8.87 4.41 0.00 1.90 1.87 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.44 7.81 29 F 8.28 5.54 0.00 3.05 3.05 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 0.00 0.00 0.00 30 V 9.34 4.63 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 0.92 0.00 0.00 0.95 0.00 0.00 31 S 8.73 4.77 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 7.46 5.08 0.00 3.17 2.89 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 0.00 0.00 0.00 33 T 9.31 5.32 4.32 0.00 0.00 0.00 0.00 0.00 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 8.66 5.31 0.00 3.15 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 35 D 9.18 4.89 0.00 2.68 2.72 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 0.00 0.00 0.00 36 D 9.28 4.66 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 9.75 4.04 0.00 2.85 2.83 0.00 0.00 7.45 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 38 G 9.16 4.34 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 0.00 39 K 7.74 4.30 0.00 1.94 1.92 0.00 1.29 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.50 7.81 40 T 8.22 4.74 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 1.19 0.00 0.00 41 G 8.23 3.73 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 0.00 0.00 0.00 42 R 8.12 5.01 0.00 1.38 1.54 0.00 3.34 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 43 G 7.97 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.12 4.81 0.95 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 0.00 0.00 45 V 8.72 4.59 2.20 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 0.79 0.00 0.00 1.09 0.00 0.00 46 S 8.75 4.64 0.00 3.95 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 47 E 9.28 4.00 0.00 2.04 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 2.32 2.34 0.00 48 K 8.07 4.08 0.00 1.96 1.95 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.56 7.81 49 D 7.67 4.72 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.20 4.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.37 0.00 2.23 2.17 0.00 3.67 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 1.99 1.97 0.00 52 K 8.60 3.90 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.49 7.81 53 E 8.10 4.02 0.00 2.04 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 2.34 0.00 54 L 7.74 3.88 0.00 1.64 1.71 0.65 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.82 3.98 0.00 1.88 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.31 4.34 0.00 2.79 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 7.92 4.01 0.00 2.07 2.28 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 2.88 2.55 0.00 58 L 8.15 3.95 0.00 1.76 1.84 1.00 1.04 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 59 A 8.11 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 3.89 0.00 2.11 2.01 0.00 3.14 0.00 0.00 3.18 7.56 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 8.21 4.05 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 8.27 4.07 0.00 1.98 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 2.39 2.62 0.00 63 R 7.64 4.19 0.00 1.90 1.99 0.00 3.16 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 64 E 7.86 4.03 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.69 0.00 65 K 7.74 4.18 0.00 1.89 1.83 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.54 7.81