NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3319 8.1744 110.9435 61.2727 70.6241 173.5009 6 N 4.7389 7.9214 120.1361 53.1568 39.2019 173.1930 7 S 4.4648 8.7820 113.2524 57.6309 64.7804 173.2091 8 D 4.8405 8.5555 121.5764 54.7246 41.8862 175.3207 9 F 5.3030 7.9015 114.0869 55.4697 41.5548 173.9758 10 V 4.5831 8.8542 112.4124 59.5481 35.3433 174.8096 11 V 4.8268 8.6030 123.3849 61.2994 33.9450 174.4094 12 I 4.9516 8.9752 128.5447 59.3972 40.6383 174.1037 13 K 5.0309 9.1996 129.1234 54.2971 34.2989 175.0944 14 A 4.4585 8.8123 130.3261 52.1896 19.2127 177.4243 15 L 4.7708 9.0040 121.8727 54.5061 42.6742 175.8228 16 E 4.6571 7.6503 115.5852 55.0610 32.2135 174.3840 17 D 4.4147 8.3427 119.2621 55.5642 41.3603 177.0024 18 G 3.8762 8.4975 109.8390 45.5162 0.0000 173.8267 19 V 3.8775 7.6187 119.8716 62.9596 32.8275 174.3194 20 N 5.3068 9.1088 125.1593 51.4923 41.2326 173.7017 21 V 4.4960 8.7100 124.5986 61.4051 33.5774 174.1258 22 I 4.5338 8.7784 130.2070 59.3545 39.5280 175.0978 23 G 4.1289 8.8930 115.3201 45.0404 0.0000 172.5665 24 L 5.3869 8.9228 126.8264 53.3972 43.8309 176.4592 25 T 4.5501 8.7723 114.2845 61.7175 69.3715 174.2721 26 R 4.2768 7.8927 126.0287 56.8473 31.0955 175.1163 27 G 3.7785 8.7616 109.5796 44.3071 0.0000 173.9955 28 A 3.9126 8.6306 121.5889 54.3491 18.7706 177.6970 29 D 4.8069 7.2091 112.4006 53.5740 42.3922 176.3731 30 T 4.7323 8.2025 121.2426 61.3476 69.7665 172.5956 31 R 4.7260 9.1417 123.0802 53.8039 33.7679 174.3346 32 F 5.3836 8.6652 117.7698 57.4927 39.1919 175.7486 33 H 5.0010 9.1077 118.2673 56.3640 30.8164 173.9804 34 H 4.8739 7.6190 117.5052 54.6805 33.4846 171.8913 35 S 4.8462 8.2022 118.9499 56.3984 64.6773 172.3176 36 E 4.4876 9.0485 129.2727 54.7102 31.1749 174.5475 37 K 4.8451 8.6103 126.7200 55.3441 33.6604 175.8808 38 L 4.9588 8.9287 125.5558 53.1435 44.4873 175.9880 39 D 5.0401 9.4219 122.9858 52.4748 43.2788 176.0106 40 K 3.9800 8.7229 121.9884 58.5451 32.3259 177.0768 41 G 4.0316 8.9975 115.5883 45.1481 0.0000 173.5779 42 E 4.2107 8.2689 119.8216 56.4100 30.7336 176.0894 43 V 4.9665 8.2963 121.9850 61.0062 34.3861 174.2766 44 L 4.7694 9.0651 129.4088 53.2391 45.0380 174.8229 45 I 5.0364 8.4896 126.3027 59.5578 39.3612 174.7586 46 A 4.7053 8.9512 128.7560 50.1718 22.2225 175.0187 47 Q 4.8820 8.5938 120.4208 54.7201 30.5432 175.8423 48 F 4.6308 8.3493 120.9610 58.1378 39.1999 174.9838 49 T 4.6788 8.9138 111.1007 60.2900 71.8678 173.9464 50 E 4.1660 8.9090 121.2391 59.3890 29.6993 177.3415 51 H 4.5372 7.8215 115.1689 56.4020 29.8386 174.3705 52 T 5.2049 8.0414 116.7434 61.8401 71.0263 174.4796 53 S 5.0013 8.9752 119.6102 57.9490 64.7804 173.3537 54 A 5.0400 7.9159 121.2014 51.1873 22.6565 175.2631 55 I 4.9614 8.5026 120.2706 59.4115 40.6343 174.6936 56 K 4.5503 9.0371 128.8540 54.5694 34.5055 174.7876 57 V 4.8002 8.3728 126.6856 61.2157 33.5107 174.5677 58 R 4.5504 9.1316 127.3235 55.4766 32.9700 176.0361 59 G 4.1282 9.0440 108.9866 44.1298 0.0000 172.3988 60 K 4.5831 9.2009 120.5526 55.8478 33.1163 175.5386 61 A 5.0969 8.7220 127.7504 50.9360 23.4289 173.7313 62 Y 4.9266 9.2088 121.9991 56.0110 41.1949 174.5177 63 I 4.8892 8.2573 127.2842 59.5220 40.6024 174.3077 64 Q 5.0631 8.9225 126.4239 54.3380 31.6749 174.9479 65 T 4.8829 8.6222 112.6767 59.6923 72.5376 174.5348 66 R 3.7374 8.5604 120.7532 59.4875 29.8498 176.4510 67 H 4.7107 8.1308 112.6053 55.1483 29.2738 173.9402 68 G 3.7611 7.0240 106.4665 43.9888 0.0000 173.2848 69 V 4.7943 7.7129 111.9256 59.9283 35.0962 175.0367 70 I 4.3139 7.8927 120.0106 60.3624 41.9301 172.6340 71 E 5.2883 8.7092 126.5401 54.5013 31.8278 176.1600 72 S 4.5759 8.7168 119.1169 58.1357 64.9457 172.8955 73 E 4.8007 8.0263 119.4700 54.8984 33.1554 176.3077 74 G 4.2432 7.7985 110.0811 44.7552 0.0000 174.4754 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 5 T 8.17 4.33 4.25 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 1.22 0.00 0.00 6 N 7.92 4.74 0.00 2.80 2.85 0.00 0.00 7.10 6.75 0.00 0.00 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 S 8.78 4.46 0.00 4.10 3.94 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 8 D 8.56 4.84 0.00 2.77 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 9 F 7.90 5.30 0.00 2.95 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 10 V 8.85 4.58 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 0.53 0.00 0.00 0.86 0.00 0.00 11 V 8.60 4.83 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 1.18 0.00 0.00 1.17 0.00 0.00 12 I 8.98 4.95 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.91 0.00 0.00 13 K 9.20 5.03 0.00 1.88 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.81 4.46 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 9.00 4.77 0.00 1.63 1.71 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.65 4.66 0.00 2.03 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 2.19 2.32 0.00 17 D 8.34 4.41 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 3.88 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 0.00 0.00 0.00 19 V 7.62 3.88 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 1.05 0.00 0.00 1.00 0.00 0.00 20 N 9.11 5.31 0.00 2.63 2.59 0.00 0.00 6.22 8.21 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 21 V 8.71 4.50 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 0.97 0.00 0.00 0.89 0.00 0.00 22 I 8.78 4.53 1.38 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.38 -0.44 0.00 0.00 23 G 8.89 4.13 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 0.00 0.00 0.00 24 L 8.92 5.39 0.00 1.86 1.72 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.77 4.55 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 1.38 0.00 0.00 26 R 7.89 4.28 0.00 1.91 1.98 0.00 3.23 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.76 3.78 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 0.00 0.00 0.00 28 A 8.63 3.91 1.29 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 0.00 0.00 0.00 29 D 7.21 4.81 0.00 2.71 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 30 T 8.20 4.73 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 1.28 0.00 0.00 31 R 9.14 4.73 0.00 1.81 2.00 0.00 2.78 0.00 0.00 3.48 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 32 F 8.67 5.38 0.00 2.93 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 33 H 9.11 5.00 0.00 3.14 3.50 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.62 4.87 0.00 3.27 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.20 4.85 0.00 3.68 3.58 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 36 E 9.05 4.49 0.00 2.14 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 2.24 2.31 0.00 37 K 8.61 4.85 0.00 1.64 1.72 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.49 7.81 38 L 8.93 4.96 0.00 1.53 1.54 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.42 5.04 0.00 2.54 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 40 K 8.72 3.98 0.00 1.70 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.31 7.81 41 G 9.00 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 0.00 0.00 0.00 42 E 8.27 4.21 0.00 2.02 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 2.33 0.00 43 V 8.30 4.97 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 0.81 0.00 0.00 0.96 0.00 0.00 44 L 9.07 4.77 0.00 1.73 1.44 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 5.04 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 0.70 0.00 0.00 46 A 8.95 4.71 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.59 4.88 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 48 F 8.35 4.63 0.00 3.03 2.96 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 49 T 8.91 4.68 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 1.26 0.00 0.00 50 E 8.91 4.17 0.00 1.92 1.98 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 2.04 2.27 0.00 51 H 7.82 4.54 0.00 3.42 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.04 5.20 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 1.36 0.00 0.00 53 S 8.98 5.00 0.00 3.81 4.07 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 0.00 0.00 0.00 54 A 7.92 5.04 1.30 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 0.00 0.00 0.00 55 I 8.50 4.96 1.86 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 0.84 0.00 0.00 56 K 9.04 4.55 0.00 1.78 1.50 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.37 7.81 57 V 8.37 4.80 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 0.85 0.00 0.00 0.89 0.00 0.00 58 R 9.13 4.55 0.00 1.73 1.78 0.00 3.14 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 59 G 9.04 4.13 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 0.00 0.00 0.00 60 K 9.20 4.58 0.00 1.86 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.53 7.81 61 A 8.72 5.10 1.24 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 62 Y 9.21 4.93 0.00 3.02 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 63 I 8.26 4.89 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.82 0.00 0.00 64 Q 8.92 5.06 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 65 T 8.62 4.88 4.13 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 1.15 0.00 0.00 66 R 8.56 3.74 0.00 1.58 1.71 0.00 3.13 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 H 8.13 4.71 0.00 3.18 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.02 3.76 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 0.00 0.00 0.00 69 V 7.71 4.79 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 0.70 0.00 0.00 0.97 0.00 0.00 70 I 7.89 4.31 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.34 0.84 0.00 0.00 71 E 8.71 5.29 0.00 1.90 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 2.50 2.43 0.00 72 S 8.72 4.58 0.00 3.97 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 73 E 8.03 4.80 0.00 1.83 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 2.21 2.29 0.00 74 G 7.80 4.24 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