NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 L 4.4789 8.0433 122.7760 54.3636 44.1354 175.6444 18 L 3.8253 8.3326 120.7106 53.4398 42.0902 175.7000 19 C 4.1011 9.5695 123.2756 59.9567 32.8441 174.6852 20 K 3.7652 8.5207 126.6706 59.7112 31.6716 178.3541 21 K 4.2560 8.3938 115.7924 57.2039 32.2301 177.4181 22 G 3.9154 8.2274 107.2727 46.5363 0.0000 174.5182 23 C 4.3038 8.2236 114.1745 58.4377 30.2096 174.1034 24 G 3.8470 8.3215 108.0383 45.4262 0.0000 173.2409 25 Y 4.2780 7.8328 117.1952 57.2438 40.1287 173.6963 26 Y 4.6304 8.7989 117.4780 57.0961 39.8766 176.0702 27 G 4.1080 8.6629 110.5691 45.5691 0.0000 172.3594 28 N 4.9769 8.8663 119.5728 50.6013 40.8030 173.5744 29 P 4.2653 0.0000 0.0000 65.7927 31.3460 178.0796 30 A 3.9346 7.7769 120.4094 53.5352 18.5863 177.6956 31 W 3.5502 7.7951 116.8839 56.0939 29.6077 176.1690 32 Q 3.4232 8.5321 114.2009 57.1133 26.4323 174.9291 33 G 3.7733 8.1825 103.3794 45.9001 0.0000 173.9176 34 F 4.9939 7.8486 118.3404 56.1922 40.3021 175.5945 35 C 5.3732 8.9807 120.6404 57.0024 31.9204 174.9135 36 S 3.4980 8.8246 115.3266 61.4688 62.2356 176.4619 37 K 3.8223 7.9014 123.3097 59.1740 32.1370 178.4419 38 C 4.1573 8.1450 116.4818 62.4349 27.9793 175.7825 39 W 4.1813 8.6027 130.4577 60.2869 30.2469 177.8262 40 R 3.5154 7.8136 118.7227 59.4602 29.4545 178.4255 41 E 3.8187 7.7164 118.1375 59.4290 29.5123 179.0868 42 E 3.6902 7.7658 118.5621 59.2633 29.3826 178.6860 43 Y 3.4672 7.4385 119.8311 60.7248 38.6860 177.7725 44 H 3.8187 7.7160 118.4625 59.2086 29.9700 177.3825 45 K 3.8505 7.8058 119.9102 59.3975 31.8470 179.3164 46 A 3.9373 7.9247 121.0776 54.7257 18.1087 179.7473 47 R 3.5586 7.5605 117.4247 59.6646 30.1973 178.7337 48 Q 3.8543 7.8918 117.8712 58.6745 28.6519 178.9263 49 K 3.8664 7.9277 120.5789 59.5373 32.2645 178.6666 50 Q 3.9497 8.0708 119.8434 59.3504 28.9890 178.2482 51 I 3.6860 8.0119 121.1372 64.4304 37.0982 178.2510 52 Q 4.0517 7.8720 119.9607 59.2152 28.8425 177.9700 53 E 4.1284 8.4174 119.6602 59.2646 29.4276 179.0191 54 D 4.3456 8.4435 119.3924 56.8738 40.7792 178.2970 55 W 4.1538 8.3394 128.8801 60.6012 30.7540 177.4510 56 E 3.6323 8.5162 118.3394 59.5444 29.0018 179.3916 57 L 3.8520 8.1728 119.8959 58.0213 42.1155 178.6501 58 A 3.8935 8.4077 121.1031 55.3866 18.2421 179.5388 59 E 3.6002 7.8284 117.0869 59.3718 29.4727 179.6159 60 R 3.8142 7.8207 118.8211 59.0428 29.8813 178.1369 61 L 4.0574 7.6417 119.3480 57.3284 42.2024 178.2904 62 Q 4.0054 7.8879 119.1220 59.1738 29.1528 177.6604 63 R 4.2073 7.4684 118.2931 58.0692 30.2133 176.0599 64 E 4.0967 7.7119 119.9101 55.5993 29.3898 176.6797 *65 E 4.1354 8.5796 119.2381 56.0428 30.4852 172.7105 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 17 L 8.04 4.48 0.00 1.82 1.64 0.95 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.33 3.83 0.00 1.60 1.46 0.13 0.41 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 19 C 9.57 4.10 0.00 3.12 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 20 K 8.52 3.77 0.00 0.79 1.60 0.00 1.36 0.00 0.00 1.51 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 0.99 7.81 21 K 8.39 4.26 0.00 2.03 2.02 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.80 1.50 7.81 22 G 8.23 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 23 C 8.22 4.30 0.00 3.27 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 3.85 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 0.00 0.00 0.00 25 Y 7.83 4.28 0.00 3.06 3.12 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 26 Y 8.80 4.63 0.00 2.99 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 27 G 8.66 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.87 4.98 0.00 2.41 2.22 0.00 0.00 7.29 8.50 0.00 0.00 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 P 0.00 4.27 0.00 2.13 2.22 0.00 3.56 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 30 A 7.78 3.93 0.91 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 0.00 0.00 31 W 7.80 3.55 0.00 3.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.53 3.42 0.00 2.65 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.09 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 33 G 8.18 3.77 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 0.00 0.00 0.00 34 F 7.85 4.99 0.00 3.71 3.30 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 35 C 8.98 5.37 0.00 3.40 3.39 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 36 S 8.82 3.50 0.00 3.87 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 0.00 37 K 7.90 3.82 0.00 1.76 1.78 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.47 7.81 38 C 8.15 4.16 0.00 3.27 3.12 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 W 8.60 4.18 0.00 3.52 3.08 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 0.00 0.00 0.00 0.00 40 R 7.81 3.52 0.00 2.00 1.88 0.00 3.08 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 41 E 7.72 3.82 0.00 2.01 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 2.24 2.24 0.00 42 E 7.77 3.69 0.00 1.40 1.58 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 1.82 1.47 0.00 43 Y 7.44 3.47 0.00 1.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.72 3.82 0.00 3.28 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.81 3.85 0.00 1.88 1.75 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 46 A 7.92 3.94 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.56 3.56 0.00 1.72 1.75 0.00 2.80 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.48 0.00 48 Q 7.89 3.85 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.14 2.41 0.00 49 K 7.93 3.87 0.00 1.91 1.93 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.42 7.81 50 Q 8.07 3.95 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 51 I 8.01 3.69 1.93 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 1.52 0.89 0.90 0.00 0.00 52 Q 7.87 4.05 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.67 0.00 53 E 8.42 4.13 0.00 2.09 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 2.35 2.57 0.00 54 D 8.44 4.35 0.00 2.97 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 55 W 8.34 4.15 0.00 3.52 3.48 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 56 E 8.52 3.63 0.00 2.28 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 0.00 2.54 2.88 0.00 57 L 8.17 3.85 0.00 1.79 1.79 0.90 1.16 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 58 A 8.41 3.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.83 3.60 0.00 1.43 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 60 R 7.82 3.81 0.00 1.85 2.07 0.00 3.05 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 61 L 7.64 4.06 0.00 1.93 1.61 0.93 0.61 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 62 Q 7.89 4.01 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 63 R 7.47 4.21 0.00 1.77 1.99 0.00 3.43 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 64 E 7.71 4.10 0.00 2.11 1.95 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 2.35 2.22 0.00 *65 E 8.58 4.14 0.00 1.76 1.81 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.