NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3580 8.2893 120.3261 54.2006 33.2714 174.4246 2 P 4.0785 0.0000 0.0000 62.5398 30.4200 173.9975 3 R 4.1079 8.8011 125.8701 55.4914 33.1620 176.2029 4 L 5.0251 9.1313 120.1824 52.8151 45.6892 175.7431 5 K 4.7346 8.8464 123.4921 54.8131 34.6988 174.6649 6 V 4.7629 8.5083 128.1316 60.8941 34.2844 174.0856 7 K 4.9290 8.4646 128.5839 54.2688 34.6005 174.5626 8 L 4.1626 8.6449 130.4049 55.4990 42.2483 177.0937 9 V 4.5334 8.7861 119.6052 60.0101 33.5299 176.1765 10 K 4.5379 7.7345 120.6698 53.8435 34.9593 175.3062 11 S 4.2239 8.5982 120.4998 57.6401 62.8424 172.4009 12 P 4.2181 0.0000 0.0000 64.2056 31.5462 175.4841 13 I 3.8890 7.1726 119.2152 65.6053 36.5787 175.0462 14 G 4.0231 8.9187 114.7870 45.9186 0.0000 172.8982 15 Y 4.3193 8.1415 117.1574 55.9310 39.2943 173.5448 16 P 4.3442 0.0000 0.0000 63.1091 32.2687 177.6122 17 K 3.9176 9.0059 121.8382 59.9360 31.9569 179.1195 18 D 4.4043 8.1774 118.5889 56.5836 39.1331 178.7376 19 Q 3.9853 8.1965 119.3434 58.7911 28.8429 178.4567 20 K 3.9384 8.2158 118.6974 59.2711 31.9285 179.1325 21 A 4.0149 8.1374 120.9140 55.1149 18.4595 179.1173 22 A 3.9297 7.9863 119.2388 55.6480 18.3130 179.6678 23 L 3.8942 7.9456 117.0239 58.0706 41.5036 179.8560 24 K 3.9982 7.4404 116.5369 59.1010 32.1495 178.5254 25 A 4.1216 8.0950 120.8526 55.2053 18.4661 179.1851 26 L 4.1304 8.0044 116.5260 58.6131 41.7934 178.3107 27 G 3.9745 7.8526 104.7863 45.3479 0.0000 174.4199 28 L 4.4535 7.6814 120.4409 54.0395 40.1330 177.1732 29 R 4.0406 8.8971 122.9500 58.4798 30.5878 178.8421 30 R 4.3150 7.6451 115.6437 55.2851 31.9389 175.3263 31 L 4.5255 8.0368 119.5595 54.9075 43.9934 177.4842 32 Q 3.8461 9.8398 121.4858 56.2903 28.3787 173.5258 33 Q 4.1114 7.7780 120.6603 56.1476 30.1498 174.5324 34 E 5.1839 8.7523 125.4812 54.5903 32.1232 175.2780 35 R 4.5518 8.8146 124.1370 54.5672 33.5348 174.2010 36 V 4.5335 8.5478 120.0802 61.0261 32.5799 175.4782 37 L 4.6652 8.8190 126.3966 52.3187 44.8613 176.2547 38 E 4.5017 8.4989 125.2539 56.2316 31.3929 177.8715 39 D 4.6333 8.4939 118.7610 53.8228 43.1731 176.0126 40 T 4.1102 7.8242 108.8728 60.9185 70.6037 172.9065 41 P 4.1894 0.0000 0.0000 65.6494 30.9222 178.8823 42 A 3.9633 7.8975 119.0518 55.1901 18.4107 179.5483 43 I 3.6667 7.4275 118.2325 64.7624 37.2741 179.0255 44 R 4.0938 8.3895 119.0376 59.0010 29.5182 178.9198 45 G 3.6738 7.9539 105.3744 48.0831 0.0000 175.1296 46 N 4.4656 8.0068 118.6496 55.7329 37.7557 177.5792 47 V 3.6456 7.5484 119.1191 66.4654 30.8912 177.9013 48 E 4.1157 8.2089 118.0471 59.1087 29.0195 179.2788 49 K 4.0710 8.2557 119.3991 59.1079 32.5433 178.4181 50 V 3.9424 6.9908 107.8082 61.1067 31.4852 177.5703 51 A 3.9768 7.1637 124.2382 55.6284 18.1522 179.0741 52 H 4.7069 7.6465 108.0480 55.9280 29.0018 175.3147 53 L 4.6959 8.3481 119.1634 54.5433 43.7950 176.2476 54 V 5.4302 7.5217 110.3439 58.4724 36.2929 174.7514 55 R 4.6628 8.4564 120.5066 54.4284 32.9990 174.9351 56 V 4.9045 8.4406 123.0471 61.0316 34.3122 174.1250 57 E 4.7462 8.8015 127.3221 54.3023 33.2311 174.3848 58 V 4.3520 8.3647 125.8284 62.4910 32.5969 174.9511 59 V 4.3737 8.8486 129.3524 62.2064 35.5394 175.2151 *60 E 4.1603 8.5935 116.9479 56.1021 30.3181 172.7179 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 1 M 8.29 4.36 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.08 0.00 2.25 2.13 0.00 3.80 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 2.15 2.04 0.00 3 R 8.80 4.11 0.00 1.89 2.05 0.00 3.06 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 4 L 9.13 5.03 0.00 1.66 1.50 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.85 4.73 0.00 1.80 1.75 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 6 V 8.51 4.76 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 0.96 0.00 0.00 7 K 8.46 4.93 0.00 1.86 1.59 0.00 1.96 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.43 7.81 8 L 8.64 4.16 0.00 1.73 1.53 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.79 4.53 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 0.89 0.00 0.00 0.96 0.00 0.00 10 K 7.73 4.54 0.00 1.62 1.51 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.40 7.81 11 S 8.60 4.22 0.00 3.89 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 12 P 0.00 4.22 0.00 2.27 2.22 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 13 I 7.17 3.89 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.95 0.00 0.00 14 G 8.92 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 15 Y 8.14 4.32 0.00 3.11 2.97 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 16 P 0.00 4.34 0.00 2.28 2.05 0.00 3.96 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 17 K 9.01 3.92 0.00 1.85 1.90 0.00 1.59 0.00 0.00 1.89 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.59 7.81 18 D 8.18 4.40 0.00 2.88 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 19 Q 8.20 3.99 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 20 K 8.22 3.94 0.00 1.98 1.89 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.74 7.81 21 A 8.14 4.01 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 22 A 7.99 3.93 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 23 L 7.95 3.89 0.00 1.91 1.89 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.44 4.00 0.00 1.79 2.01 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 25 A 8.10 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 4.13 0.00 1.71 1.73 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.85 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 0.00 0.00 0.00 28 L 7.68 4.45 0.00 1.62 1.64 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.90 4.04 0.00 1.77 1.93 0.00 3.15 0.00 0.00 3.22 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 30 R 7.65 4.32 0.00 1.79 1.88 0.00 3.18 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 31 L 8.04 4.53 0.00 1.65 1.50 0.91 0.61 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 32 Q 9.84 3.85 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 33 Q 7.78 4.11 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 34 E 8.75 5.18 0.00 1.85 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 2.20 2.39 0.00 35 R 8.81 4.55 0.00 1.83 1.70 0.00 3.22 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 36 V 8.55 4.53 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 0.74 0.00 0.00 0.92 0.00 0.00 37 L 8.82 4.67 0.00 1.51 1.58 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.50 4.50 0.00 1.95 1.72 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 2.29 2.36 0.00 39 D 8.49 4.63 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 4.11 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 41 P 0.00 4.19 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 42 A 7.90 3.96 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 43 I 7.43 3.67 2.01 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 1.52 1.36 0.90 0.00 0.00 44 R 8.39 4.09 0.00 1.99 1.98 0.00 3.13 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 45 G 7.95 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.01 4.47 0.00 2.81 2.86 0.00 0.00 6.76 7.34 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 47 V 7.55 3.65 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 1.01 0.00 0.00 0.95 0.00 0.00 48 E 8.21 4.12 0.00 2.23 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 0.00 2.77 2.46 0.00 49 K 8.26 4.07 0.00 1.70 1.91 0.00 1.80 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.50 7.81 50 V 6.99 3.94 1.92 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 0.70 0.00 0.00 0.92 0.00 0.00 51 A 7.16 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 52 H 7.65 4.71 0.00 3.29 3.46 0.00 5.67 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 53 L 8.35 4.70 0.00 1.41 1.61 0.53 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.52 5.43 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 0.81 0.00 0.00 0.90 0.00 0.00 55 R 8.46 4.66 0.00 1.71 1.78 0.00 3.06 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 56 V 8.44 4.90 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 0.91 0.00 0.00 57 E 8.80 4.75 0.00 2.05 1.70 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 2.18 2.21 0.00 58 V 8.36 4.35 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 0.80 0.00 0.00 0.93 0.00 0.00 59 V 8.85 4.37 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 0.75 0.00 0.00 1.01 0.00 0.00 *60 E 8.59 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.