NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3243 8.0327 110.9388 61.2422 70.4560 174.4333 3 Q 3.7318 8.4573 121.9286 58.3128 28.9296 176.1077 4 L 4.2426 8.0301 122.4983 57.4299 42.4887 177.9970 5 E 3.8782 8.2213 119.2754 59.3525 29.5798 178.3653 6 E 3.9580 8.3991 119.5132 59.3782 29.7133 178.7684 7 Q 3.9893 8.5455 118.4660 59.0737 28.8138 178.8549 8 L 4.1179 7.9735 119.9687 58.0241 41.5802 179.0762 9 H 4.4151 8.5284 118.3870 59.3503 29.7994 177.1344 10 N 4.3393 8.4249 118.7535 55.9879 38.3154 177.6189 11 V 3.5491 7.6232 119.4344 66.1063 31.6032 177.9151 12 E 3.9951 8.1177 118.3035 59.6664 29.1703 179.5044 13 T 3.7859 8.2101 116.1347 66.5584 68.4850 176.6782 14 V 3.5458 7.6260 119.9453 65.9966 31.4923 177.9808 15 R 3.9046 7.9908 118.1973 59.6513 29.9074 178.4985 16 S 4.1252 8.2882 115.1385 61.8449 62.7571 176.8971 17 I 3.7188 8.1006 122.8922 64.4754 36.8149 178.6043 18 T 3.8723 8.1644 110.8419 65.0606 68.5653 176.5099 19 M 4.2147 8.3018 121.6903 58.1612 31.9286 178.3968 20 Q 3.9637 8.3179 119.8920 59.1124 29.0988 178.2700 21 L 3.9094 8.2720 121.6429 58.0800 42.1689 178.5647 22 E 3.9509 8.2466 118.5579 59.9745 29.4776 179.4460 23 M 4.0753 8.1633 118.2285 58.2539 31.9394 178.7150 24 A 3.9928 8.2431 121.1532 55.0945 18.5283 179.7150 25 L 3.9084 8.2195 117.7940 58.1314 41.6872 179.7684 26 T 3.8649 8.0160 115.7381 66.5103 68.3087 176.5796 27 K 3.9171 8.1358 121.4309 59.2460 32.1186 178.3926 28 L 3.9326 8.1272 123.1931 58.8517 41.7416 179.8432 29 K 4.0717 7.8018 121.8539 59.7815 31.9406 180.7651 30 K 4.3491 8.5474 120.5007 59.4842 31.7887 179.3557 31 D 4.3643 8.2422 118.1978 57.3919 40.7265 178.0748 32 M 4.2413 7.7973 118.1295 58.2720 32.2000 177.1770 33 M 4.3648 7.7083 116.0982 55.2996 32.6880 176.8718 *44 W 5.8646 7.7404 119.7721 56.7520 31.7605 177.0809 45 Q 4.0986 8.4640 121.6129 60.0256 28.2398 179.2907 46 R 3.9800 7.9433 120.8499 61.4895 29.5580 180.3892 47 E 4.1953 8.2012 119.2589 59.1166 29.5511 178.9048 48 S 4.0796 8.4724 113.6728 61.6040 62.3238 176.3598 49 K 3.9602 8.0462 121.4893 59.3086 31.8492 178.5495 50 A 3.9894 8.1847 121.1463 55.2711 18.2595 179.6756 51 L 3.9356 8.1569 117.5668 57.9703 41.6509 179.5763 52 E 3.9864 8.6315 119.0078 59.4304 29.3602 179.7105 53 S 4.0625 8.4701 115.3321 61.5290 62.8630 176.3290 54 A 4.0063 8.2192 123.7154 55.3692 18.0290 179.6719 55 I 3.5261 8.1528 118.2495 64.4386 37.0988 178.3633 56 A 4.0313 8.1251 121.5523 55.3205 18.1196 179.7370 57 I 3.6962 7.7949 118.1416 64.5286 37.2061 178.4975 58 I 3.7028 7.9725 120.8868 65.0460 36.9438 178.2329 59 H 4.3591 8.2901 116.7662 58.9446 28.2611 177.2532 60 Y 4.2284 8.2078 120.9189 60.8084 38.7136 178.0813 61 V 3.6466 8.0371 118.2020 65.8454 32.0738 177.6450 62 A 4.1218 8.2375 120.7263 53.1338 18.0185 179.2721 63 G 3.8658 8.5307 105.6740 45.5987 0.0000 173.2970 64 D 4.4440 7.3495 118.4188 54.5390 41.5106 176.4897 65 L 3.9589 8.3164 118.7754 55.6212 41.6522 174.9015 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 T 8.03 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 3 Q 8.46 3.73 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 4 L 8.03 4.24 0.00 1.79 1.65 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.22 3.88 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 6 E 8.40 3.96 0.00 2.12 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 0.00 2.32 2.42 0.00 7 Q 8.55 3.99 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 8 L 7.97 4.12 0.00 1.90 1.73 0.92 1.03 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 9 H 8.53 4.42 0.00 3.30 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.42 4.34 0.00 2.91 2.83 0.00 0.00 6.61 8.42 0.00 0.00 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 V 7.62 3.55 2.24 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 1.03 0.00 0.00 0.97 0.00 0.00 12 E 8.12 4.00 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 13 T 8.21 3.79 4.29 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 1.17 0.00 0.00 14 V 7.63 3.55 2.21 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 0.99 0.00 0.00 0.97 0.00 0.00 15 R 7.99 3.90 0.00 1.95 2.06 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 16 S 8.29 4.13 0.00 4.00 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 17 I 8.10 3.72 1.86 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 1.57 0.86 0.90 0.00 0.00 18 T 8.16 3.87 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 1.26 0.00 0.00 19 M 8.30 4.21 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 20 Q 8.32 3.96 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 21 L 8.27 3.91 0.00 1.85 1.80 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.25 3.95 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 23 M 8.16 4.08 0.00 2.07 2.22 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 2.78 2.55 0.00 24 A 8.24 3.99 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 25 L 8.22 3.91 0.00 1.84 1.73 0.92 0.99 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 26 T 8.02 3.86 4.40 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 1.21 0.00 0.00 27 K 8.14 3.92 0.00 1.82 1.92 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.43 7.81 28 L 8.13 3.93 0.00 1.77 1.78 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.80 4.07 0.00 1.91 1.71 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.35 7.81 30 K 8.55 4.35 0.00 1.80 1.89 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.72 7.81 31 D 8.24 4.36 0.00 2.70 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 32 M 7.80 4.24 0.00 2.05 2.37 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.74 0.00 33 M 7.71 4.36 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.79 0.00 *44 W 7.74 5.86 0.00 3.43 3.21 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 0.00 45 Q 8.46 4.10 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 46 R 7.94 3.98 0.00 1.86 1.92 0.00 3.30 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 47 E 8.20 4.20 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 48 S 8.47 4.08 0.00 4.09 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 49 K 8.05 3.96 0.00 1.92 2.03 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 50 A 8.18 3.99 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 51 L 8.16 3.94 0.00 1.85 1.72 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.63 3.99 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 53 S 8.47 4.06 0.00 4.01 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 54 A 8.22 4.01 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 55 I 8.15 3.53 2.02 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 1.41 0.76 0.81 0.00 0.00 56 A 8.13 4.03 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 57 I 7.79 3.70 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.85 0.96 0.00 0.00 58 I 7.97 3.70 1.95 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 1.51 1.05 0.90 0.00 0.00 59 H 8.29 4.36 0.00 3.40 3.37 0.00 5.64 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 60 Y 8.21 4.23 0.00 3.01 3.21 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 0.00 61 V 8.04 3.65 2.22 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 0.87 0.00 0.00 1.01 0.00 0.00 62 A 8.24 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.53 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 0.00 0.00 0.00 64 D 7.35 4.44 0.00 2.73 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 65 L 8.32 3.96 0.00 1.74 1.59 0.51 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.