NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 V 4.0223 8.0393 120.3929 62.6882 32.7665 175.8295 -2 D 4.5185 8.3406 127.3284 51.7221 41.8848 175.5659 -1 Q 3.9383 8.9218 122.1329 59.3131 29.4408 179.4496 0 A 3.9847 7.9065 121.2053 55.2845 18.5499 179.2231 1 D 4.4423 8.8308 117.8388 57.6196 40.8455 178.6992 2 D 4.3479 8.1988 119.1891 57.2587 40.8235 178.7106 3 A 3.9602 8.1987 121.0189 55.0793 18.3997 179.5161 4 A 3.9191 7.9013 119.0958 55.4738 18.4721 180.0021 5 I 3.6857 7.8668 118.2911 64.5569 37.1069 178.7881 6 Q 3.9664 8.4708 119.3784 58.9549 28.4908 178.5086 7 Q 3.9702 8.6492 120.9100 59.4794 28.9716 178.3873 8 T 3.8276 7.9521 116.6841 66.6105 68.4790 176.2894 9 L 3.9099 8.0846 120.5432 58.2315 41.6099 179.8180 10 A 3.9804 8.4166 120.6682 55.1026 18.1186 179.8942 11 K 4.0480 8.2975 118.5794 59.9177 32.1722 179.4057 12 M 4.3634 8.1515 119.3275 56.7939 31.5457 181.2080 13 G 4.0477 7.6873 105.1229 46.4132 0.0000 172.7181 14 I 4.3210 7.9801 121.7414 59.3373 39.1030 174.9301 *15 K 4.1644 8.0257 131.4553 56.2695 32.9985 175.7137 *16 S 4.6476 7.5726 116.7356 57.7132 63.8832 174.9791 17 S 5.3554 7.6489 111.6827 59.9550 65.5234 173.9700 18 D 4.8036 8.3556 119.0735 52.5514 44.1302 173.7699 19 I 4.8623 8.4799 126.4357 59.8113 39.0758 174.8983 20 Q 4.7451 9.3806 125.4210 53.0259 33.2484 173.1988 21 P 4.8341 0.0000 0.0000 62.9400 32.1553 175.6370 22 A 4.9390 8.3709 121.7257 49.2843 22.8469 174.4369 23 P 4.5790 0.0000 0.0000 62.6650 31.8284 175.8923 24 V 4.2648 7.4595 118.6439 60.9463 33.6090 174.8507 25 A 4.0184 8.5495 130.3226 53.9703 18.8049 177.4094 26 G 4.0257 10.1872 110.1466 45.2103 0.0000 172.3013 27 M 5.4223 7.3993 113.9277 53.8313 34.8253 174.2221 28 K 4.8144 9.1199 118.2479 54.8544 37.1656 175.5918 29 T 4.1430 8.8216 119.5063 62.8303 69.8005 174.1828 30 V 4.5376 8.2719 127.3866 60.9505 34.2291 174.3494 31 L 4.6688 8.7037 129.8333 54.2048 42.6944 176.3417 32 T 4.9686 8.5369 113.5700 59.4893 72.4140 174.6589 33 N 4.6075 8.9151 117.7040 54.9488 38.5987 175.9992 34 S 4.5635 8.2450 114.5102 58.1997 63.4132 174.1766 35 G 3.7839 7.8068 107.8444 44.2357 0.0000 172.7801 36 V 4.3583 8.0383 118.0454 62.0473 32.7904 174.7304 37 L 4.9735 8.6389 127.7012 53.0825 45.2859 174.9857 38 Y 4.7191 9.1715 121.3812 56.7367 39.6293 174.6038 39 I 5.1030 8.3630 125.8767 59.1854 40.3099 175.6598 40 T 4.4553 8.6399 117.3376 61.7639 69.2718 175.4071 41 D 4.3836 8.9172 124.3639 57.3112 40.9812 177.4496 42 D 4.4412 8.0979 116.2542 53.4767 39.9639 177.2186 43 G 3.9235 8.3491 108.5696 46.0040 0.0000 174.4946 44 K 4.2670 8.4880 119.2538 57.3700 33.0330 176.6259 45 H 5.0229 8.1664 115.1765 53.8877 33.0196 172.4793 46 I 5.0872 8.5152 122.1578 59.5486 40.2767 174.8061 47 I 4.5604 8.9213 127.3351 59.1692 39.8280 174.9365 48 Q 4.3062 8.9066 129.0568 56.0927 29.7297 176.1535 49 G 4.2412 8.5795 114.1846 45.2411 0.0000 170.8651 50 P 4.8533 0.0000 0.0000 62.3314 33.2621 174.8865 51 M 4.4328 8.7917 120.2356 53.9943 34.2179 173.9897 52 Y 5.1819 8.3600 122.4987 56.1438 41.1487 174.6139 53 D 4.5611 9.1892 124.4786 53.4610 42.3238 176.8013 54 V 4.5859 8.2272 118.9062 61.0942 32.6604 177.0950 55 S 4.2810 8.5549 117.9779 60.7213 63.6300 175.1020 56 G 4.0486 7.7363 113.2185 45.5549 0.0000 173.3316 57 T 4.3157 8.4825 109.2212 61.7897 69.9820 174.6252 58 A 4.7160 7.4994 123.7873 49.4985 22.2691 173.8764 59 P 4.5703 0.0000 0.0000 62.4594 32.2019 176.1620 60 V 4.2538 8.7152 122.5533 61.0380 33.0260 174.5439 61 N 4.5748 8.6640 125.7078 52.9962 38.5716 175.2109 62 V 3.6392 8.2263 128.3697 65.7658 31.6271 177.7590 63 T 3.9028 7.7988 115.1539 66.7829 68.4041 176.0175 64 N 4.3031 8.6850 118.5145 56.3468 38.7426 177.5938 65 K 3.9768 7.8759 119.7328 59.6613 32.1318 179.2919 66 M 4.1946 8.1736 117.3007 58.1866 31.2758 178.4147 67 L 3.9511 8.1992 120.3562 57.8350 41.6013 179.6243 68 L 4.0154 7.7339 117.5443 57.5322 41.5535 179.3399 69 K 4.1574 7.5009 116.7601 58.5713 32.1501 178.4209 70 Q 4.4335 7.7201 116.2641 56.3205 29.7127 175.6669 71 L 4.1715 7.9353 124.3297 54.9235 41.6975 176.6029 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 -3 V 8.04 4.02 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 0.93 0.00 0.00 -2 D 8.34 4.52 0.00 3.03 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 8.92 3.94 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.00 0.00 0 A 7.91 3.98 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 1 D 8.83 4.44 0.00 2.67 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 2 D 8.20 4.35 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 3.96 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 4 A 7.90 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.87 3.69 1.86 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 1.52 0.68 0.89 0.00 0.00 6 Q 8.47 3.97 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 7 Q 8.65 3.97 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 8 T 7.95 3.83 4.46 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 1.22 0.00 0.00 9 L 8.08 3.91 0.00 1.85 1.97 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.42 3.98 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 11 K 8.30 4.05 0.00 2.14 1.88 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.32 7.81 12 M 8.15 4.36 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 13 G 7.69 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 0.00 0.00 0.00 14 I 7.98 4.32 1.86 0.00 0.00 0.84 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 0.96 0.96 0.00 0.00 *15 K 8.03 4.16 0.00 1.81 1.55 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 0.98 7.81 *16 S 7.57 4.65 0.00 3.62 3.69 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 17 S 7.65 5.36 0.00 3.77 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.36 4.80 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 4.86 1.85 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 1.31 0.73 0.93 0.00 0.00 20 Q 9.38 4.75 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 21 P 0.00 4.83 0.00 1.95 2.00 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 22 A 8.37 4.94 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 23 P 0.00 4.58 0.00 2.18 2.14 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 24 V 7.46 4.26 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 0.95 0.00 0.00 0.85 0.00 0.00 25 A 8.55 4.02 1.25 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 26 G 10.19 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 27 M 7.40 5.42 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 28 K 9.12 4.81 0.00 1.63 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.53 7.81 29 T 8.82 4.14 4.20 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 1.00 0.00 0.00 30 V 8.27 4.54 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 1.02 0.00 0.00 0.87 0.00 0.00 31 L 8.70 4.67 0.00 1.59 1.53 0.89 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.54 4.97 4.21 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 0.00 0.00 0.00 1.16 0.00 0.00 33 N 8.92 4.61 0.00 2.72 2.90 0.00 0.00 6.81 7.57 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 34 S 8.24 4.56 0.00 3.82 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.81 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 36 V 8.04 4.36 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 0.59 0.00 0.00 0.86 0.00 0.00 37 L 8.64 4.97 0.00 1.48 1.46 0.89 0.90 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 38 Y 9.17 4.72 0.00 3.02 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 39 I 8.36 5.10 1.87 0.00 0.00 0.84 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 0.81 0.95 0.00 0.00 40 T 8.64 4.46 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 41 D 8.92 4.38 0.00 2.70 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 42 D 8.10 4.44 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 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 44 K 8.49 4.27 0.00 1.86 1.80 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.66 7.81 45 H 8.17 5.02 0.00 3.11 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.52 5.09 1.89 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 1.35 0.62 0.93 0.00 0.00 47 I 8.92 4.56 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.78 0.96 0.00 0.00 48 Q 8.91 4.31 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 49 G 8.58 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 50 P 0.00 4.85 0.00 1.58 1.94 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 51 M 8.79 4.43 0.00 1.72 1.04 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 52 Y 8.36 5.18 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 9.19 4.56 0.00 2.72 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 54 V 8.23 4.59 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 0.83 0.00 0.00 0.94 0.00 0.00 55 S 8.55 4.28 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.74 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 0.00 0.00 0.00 57 T 8.48 4.32 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 1.21 0.00 0.00 58 A 7.50 4.72 1.20 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 0.00 0.00 59 P 0.00 4.57 0.00 1.99 1.89 0.00 3.61 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 60 V 8.72 4.25 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 1.07 0.00 0.00 0.96 0.00 0.00 61 N 8.66 4.57 0.00 2.93 2.74 0.00 0.00 6.84 7.71 0.00 0.00 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 V 8.23 3.64 2.13 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 0.98 0.00 0.00 0.93 0.00 0.00 63 T 7.80 3.90 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 1.21 0.00 0.00 64 N 8.68 4.30 0.00 2.77 2.87 0.00 0.00 7.12 7.03 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 65 K 7.88 3.98 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.62 7.81 66 M 8.17 4.19 0.00 2.44 2.32 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.64 0.00 67 L 8.20 3.95 0.00 1.87 1.76 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.73 4.02 0.00 1.79 1.73 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.50 4.16 0.00 2.24 1.86 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.35 7.81 70 Q 7.72 4.43 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 71 L 7.94 4.17 0.00 1.76 1.57 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.