NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3471 8.2644 123.5897 51.8023 19.9586 176.4326 5 H 4.2214 8.7696 122.4103 55.6110 30.5005 173.3332 6 F 4.8433 8.2948 126.6363 56.8775 43.2176 172.5973 7 F 4.1975 6.9233 127.1581 56.1612 42.0659 173.9748 8 E 3.9724 7.2575 128.9127 54.4677 28.4748 175.6512 9 G 3.8093 8.3133 116.1069 48.1623 0.0000 172.8583 10 T 3.8031 7.8670 116.3846 64.2097 68.7050 173.4658 11 E 4.5397 8.5645 125.4433 54.9079 31.4742 175.2323 12 K 4.5097 8.3135 119.7723 54.6060 33.7433 175.8620 13 L 4.6777 8.4477 125.0578 52.8663 44.3247 174.9352 14 L 4.7154 8.5098 127.0965 53.0199 44.3638 174.8338 15 E 4.6054 8.7403 125.7246 54.2488 32.2821 174.6348 16 V 4.3650 8.1890 124.6237 60.6839 34.5176 174.1297 17 W 4.5630 8.6977 126.1648 54.9525 30.8931 175.4808 18 F 4.9211 8.6681 121.8654 56.3443 40.6834 174.4679 19 S 4.6614 8.2876 115.2258 57.8705 65.2482 173.6419 20 R 4.6123 8.2547 120.6311 54.1563 31.8032 175.0840 21 Q 4.0148 8.8373 126.5255 57.8426 29.4345 175.9703 22 Q 3.6508 7.9992 113.5352 56.6127 24.9265 172.1534 23 P 4.4503 0.0000 0.0000 63.8223 32.2008 177.0327 *27 Q 4.0861 7.4618 116.2041 52.5048 30.7879 177.6003 28 G 3.9648 7.8741 105.8886 44.8920 0.0000 173.2051 29 S 4.1190 8.4228 112.5726 59.1791 63.3044 175.5569 30 G 3.8930 8.9269 107.2910 45.5210 0.0000 172.3816 31 D 4.6393 8.0903 119.2126 52.2690 44.2598 176.3062 32 L 4.0758 8.7369 126.7412 57.8355 41.8585 179.1852 33 R 4.3228 8.4310 116.5383 58.3652 30.0521 177.9324 34 T 4.0342 7.8044 114.6867 65.8411 68.6771 175.2176 35 I 3.5201 7.4673 122.9680 60.4907 37.5321 174.4103 36 P 4.4307 0.0000 0.0000 62.0966 32.1728 177.3206 37 R 4.1986 8.7969 120.8339 59.8642 30.0418 178.9415 38 S 4.1348 8.1195 113.4743 61.6930 62.6811 176.3319 39 E 3.8881 7.9606 121.6038 58.8202 29.0695 179.2559 40 W 4.4786 7.7868 118.6142 59.7562 28.9973 178.1052 41 D 4.4108 8.4433 119.0502 57.4227 40.0663 178.9466 42 I 3.7062 7.4197 118.6269 64.3195 36.9701 177.8029 43 L 4.1269 8.1957 121.4273 58.3528 41.9247 179.0173 44 L 3.8543 8.3414 119.0354 57.5467 41.4687 179.3926 45 K 3.8564 7.8081 118.6284 59.8606 31.8557 178.6227 46 D 4.4153 7.3456 116.9872 57.7589 40.9090 179.2262 47 V 3.6887 7.4806 116.4867 63.6920 31.7477 175.5020 48 Q 3.7546 9.0954 116.6737 56.7398 25.8731 172.4395 49 C 4.9013 7.8101 110.0329 57.2279 33.0044 172.2731 50 S 4.7616 8.9464 113.9422 56.7335 66.5594 173.2323 51 I 4.5057 8.3872 122.0727 61.4711 36.9949 175.9719 52 I 4.6189 8.6241 119.5388 60.9429 39.5486 175.6263 53 S 4.7014 7.6616 115.5757 57.4379 65.8416 173.9046 54 V 4.6138 8.2329 120.7651 61.5040 34.7751 174.6745 55 T 4.5538 8.7301 123.2383 61.8410 72.1997 172.8877 56 K 4.9293 8.7158 125.7487 54.7433 34.6439 175.5261 57 T 4.7245 8.4685 112.9196 59.4101 72.0428 173.7372 58 D 4.4900 8.7660 121.0851 57.1223 40.8486 178.2249 59 K 4.3200 7.8870 116.5946 57.6596 33.1056 176.2032 60 Q 4.6013 7.8717 114.8990 54.9906 31.4664 172.5190 61 E 4.9905 8.6256 117.7593 54.4673 32.1957 175.2821 62 A 4.8381 8.8886 126.0946 50.2475 22.0228 174.6531 63 Y 5.0739 8.5984 118.2558 56.1225 41.5436 175.0356 64 V 4.3460 8.6653 123.4128 61.4093 33.5414 174.8650 65 L 5.3327 8.4653 126.6962 53.4278 44.8505 175.2900 66 S 4.6665 8.8021 113.6627 56.9312 66.4161 173.9848 67 E 4.2180 8.7407 123.2075 56.7782 29.3734 176.8077 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 4 A 8.26 4.35 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 5 H 8.77 4.22 0.00 3.24 3.29 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.29 4.84 0.00 2.95 2.85 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 7 F 6.92 4.20 0.00 2.74 2.60 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 8 E 7.26 3.97 0.00 1.91 1.52 0.00 0.00 0.00 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 2.26 0.00 9 G 8.31 3.81 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 0.00 0.00 0.00 10 T 7.87 3.80 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 1.22 0.00 0.00 11 E 8.56 4.54 0.00 1.93 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 2.27 2.57 0.00 12 K 8.31 4.51 0.00 1.72 1.72 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 13 L 8.45 4.68 0.00 1.54 1.52 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.51 4.72 0.00 1.58 1.49 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.74 4.61 0.00 1.93 1.83 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 2.28 2.17 0.00 16 V 8.19 4.36 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 -0.05 0.00 0.00 0.88 0.00 0.00 17 W 8.70 4.56 0.00 3.18 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 18 F 8.67 4.92 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.66 0.00 4.01 3.91 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 0.00 0.00 0.00 20 R 8.25 4.61 0.00 1.79 1.86 0.00 3.26 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 21 Q 8.84 4.01 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.32 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 22 Q 8.00 3.65 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 23 P 0.00 4.45 0.00 2.04 2.10 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 *27 Q 7.46 4.09 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 28 G 7.87 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 29 S 8.42 4.12 0.00 3.98 3.99 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 0.00 0.00 0.00 30 G 8.93 3.89 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 0.00 0.00 0.00 31 D 8.09 4.64 0.00 2.66 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 32 L 8.74 4.08 0.00 1.82 1.86 1.05 0.67 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 33 R 8.43 4.32 0.00 1.96 2.06 0.00 3.31 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 34 T 7.80 4.03 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 1.18 0.00 0.00 35 I 7.47 3.52 1.66 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.36 -0.35 0.00 0.00 36 P 0.00 4.43 0.00 2.07 1.92 0.00 3.36 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 37 R 8.80 4.20 0.00 2.09 2.02 0.00 3.45 0.00 0.00 3.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 38 S 8.12 4.13 0.00 4.07 4.12 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 39 E 7.96 3.89 0.00 1.68 1.66 0.00 0.00 0.00 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 2.24 0.00 40 W 7.79 4.48 0.00 3.40 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 41 D 8.44 4.41 0.00 2.92 2.75 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 0.00 0.00 0.00 0.00 42 I 7.42 3.71 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.64 0.90 0.00 0.00 43 L 8.20 4.13 0.00 1.82 2.06 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.34 3.85 0.00 1.95 1.97 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.81 3.86 0.00 1.97 1.89 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.72 7.81 46 D 7.35 4.42 0.00 2.64 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 47 V 7.48 3.69 2.23 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 0.84 0.00 0.00 0.95 0.00 0.00 48 Q 9.10 3.75 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.44 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 49 C 7.81 4.90 0.00 3.21 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 50 S 8.95 4.76 0.00 3.85 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 51 I 8.39 4.51 1.95 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 1.39 0.53 1.14 0.00 0.00 52 I 8.62 4.62 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.92 0.00 0.00 53 S 7.66 4.70 0.00 3.85 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 54 V 8.23 4.61 1.93 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 0.22 0.00 0.00 0.95 0.00 0.00 55 T 8.73 4.55 4.14 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 1.15 0.00 0.00 56 K 8.72 4.93 0.00 1.56 1.65 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.22 1.28 7.81 57 T 8.47 4.72 4.22 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 1.18 0.00 0.00 58 D 8.77 4.49 0.00 2.69 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 59 K 7.89 4.32 0.00 1.74 1.86 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.42 7.81 60 Q 7.87 4.60 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 61 E 8.63 4.99 0.00 1.88 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 2.28 0.00 62 A 8.89 4.84 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 63 Y 8.60 5.07 0.00 2.63 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 64 V 8.67 4.35 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 1.05 0.00 0.00 0.92 0.00 0.00 65 L 8.47 5.33 0.00 1.55 1.65 0.88 0.79 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 66 S 8.80 4.67 0.00 3.84 3.64 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 67 E 8.74 4.22 0.00 2.11 1.93 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 2.38 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.