NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5769 8.2893 120.3263 54.1538 33.8559 175.8172 2 P 4.0469 0.0000 0.0000 63.1090 30.1313 177.7363 3 R 4.6336 9.4591 117.7884 55.7338 34.5126 173.2307 4 L 4.7619 7.9295 126.8130 53.9538 43.8959 175.8066 5 K 4.6275 9.3459 124.0354 54.9865 34.5747 175.1596 6 V 4.9738 8.4075 121.0467 59.5982 35.0545 175.1713 7 K 5.5063 8.4931 123.6636 53.8076 35.7909 174.9373 8 L 4.4390 8.7012 129.8586 55.5497 42.0873 176.8397 9 V 4.2824 8.4320 120.0117 61.3418 33.5756 176.3114 10 K 4.5337 7.8532 121.3905 53.8738 34.3598 176.0220 11 S 3.9792 8.9148 120.7965 58.8972 62.6541 172.2190 12 P 4.3692 0.0000 0.0000 62.7186 31.5596 175.6675 13 I 3.9154 7.2149 119.6771 63.7326 36.8647 176.3860 14 G 3.9631 9.1574 114.8968 45.2438 0.0000 172.6310 15 Y 4.2557 7.7791 116.8773 56.0868 39.3970 174.1189 16 P 4.3142 0.0000 0.0000 62.9932 33.1697 177.2398 17 K 3.9104 8.7820 121.6144 60.0225 31.8445 178.6717 18 D 4.3920 8.1253 117.3643 56.9975 39.5048 178.2396 19 Q 4.1524 8.1207 118.8804 58.4959 28.6808 178.7808 20 K 4.0669 8.0646 118.8901 59.3973 31.9287 179.4958 21 A 4.1530 8.0498 115.5169 53.1289 18.2730 178.0566 22 A 4.4694 8.2187 124.2301 54.6105 20.3722 179.7225 23 L 4.3063 7.4990 115.7354 56.7018 41.5302 179.4096 24 K 3.9351 7.9129 119.0345 59.2078 32.5490 178.2503 25 A 4.1729 7.7288 120.5188 55.1609 18.2940 179.3431 26 L 4.1677 8.1614 112.8237 54.3162 41.3116 177.2055 27 G 3.9983 7.6584 106.0972 46.2529 0.0000 173.6679 28 L 4.6885 8.2408 119.9064 53.3227 42.1799 176.5087 29 R 4.3049 9.9764 124.0903 57.5812 31.0724 177.1307 30 R 4.6753 7.4306 113.3927 53.7075 33.0630 175.7384 31 L 4.2017 8.0124 118.6958 56.1208 42.1215 178.6915 32 Q 3.7315 9.1281 118.8276 56.1747 27.7102 173.8342 33 Q 4.1610 7.6363 121.2157 56.0624 30.0397 174.4401 34 E 5.2047 8.7410 125.6384 54.7406 32.2624 175.5982 35 R 4.4691 9.0857 123.7379 54.7602 33.3914 174.2534 36 V 4.3595 8.4845 120.7560 61.1736 32.2946 175.8152 37 L 4.8951 9.4604 125.5162 52.2604 46.1988 175.6159 38 E 4.0170 8.7764 122.7052 56.7823 30.1046 176.7905 39 D 4.7332 8.8669 127.6325 53.9721 40.5198 174.5934 40 T 4.7518 7.9310 114.5775 58.1903 72.3508 173.7614 41 P 4.3606 0.0000 0.0000 65.3478 31.3420 178.8322 42 A 4.0408 7.8866 119.2491 55.3360 17.9884 179.7437 43 I 3.7799 7.7590 117.1127 63.4241 37.0542 178.2204 44 R 4.1373 7.4973 118.8448 58.9031 30.1238 178.1156 45 G 3.8528 8.4317 104.6313 48.1399 0.0000 175.0530 46 N 4.4993 8.0700 117.7858 56.1035 38.6711 177.5370 47 V 3.5173 7.2756 118.4510 66.3461 31.1252 177.6156 48 E 3.9640 8.8182 118.5027 59.6164 29.0173 179.6238 49 K 4.0505 7.7823 118.6972 59.1283 32.5301 178.4256 50 V 4.0186 7.9255 109.9489 62.0624 31.1669 179.2286 51 A 3.9950 7.4540 121.7647 55.3051 18.6474 179.8638 52 H 4.1860 8.2934 111.3600 58.2875 29.0707 176.3278 53 L 4.0343 8.4415 119.6476 55.0803 41.8801 175.8143 54 V 4.7795 7.0160 117.3680 60.8390 34.9473 174.6753 55 R 4.4725 8.8126 121.9659 54.7504 32.5463 174.0279 56 V 4.7960 8.3969 126.1559 61.7626 33.8848 174.1773 57 E 4.7475 8.8616 124.3630 54.9759 33.5853 173.6021 58 V 4.7214 8.2455 123.7452 61.0841 33.4003 172.5208 59 V 4.4291 9.4545 131.8907 63.5084 35.6984 175.0974 *60 E 4.1603 9.2252 114.5603 55.9742 30.3181 175.9750 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 4.58 0.00 2.20 2.12 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 2.54 0.00 2 P 0.00 4.05 0.00 2.30 1.61 0.00 3.85 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 2.18 2.01 0.00 3 R 9.46 4.63 0.00 1.90 1.84 0.00 3.31 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 4 L 7.93 4.76 0.00 1.60 1.55 0.92 1.07 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 K 9.35 4.63 0.00 1.73 1.64 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.37 7.81 6 V 8.41 4.97 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 0.59 0.00 0.00 0.97 0.00 0.00 7 K 8.49 5.51 0.00 1.78 1.57 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.30 1.42 7.81 8 L 8.70 4.44 0.00 1.74 1.53 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.43 4.28 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 0.71 0.00 0.00 0.96 0.00 0.00 10 K 7.85 4.53 0.00 1.70 1.55 0.00 1.88 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.35 7.81 11 S 8.91 3.98 0.00 3.88 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 12 P 0.00 4.37 0.00 2.22 1.99 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 13 I 7.21 3.92 1.94 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 0.37 0.95 0.00 0.00 14 G 9.16 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 15 Y 7.78 4.26 0.00 3.11 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 16 P 0.00 4.31 0.00 2.22 2.03 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 17 K 8.78 3.91 0.00 1.77 1.91 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.50 7.81 18 D 8.13 4.39 0.00 2.84 2.84 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 19 Q 8.12 4.15 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.95 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 20 K 8.06 4.07 0.00 1.98 1.86 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.69 7.81 21 A 8.05 4.15 1.34 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 0.00 0.00 0.00 22 A 8.22 4.47 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 L 7.50 4.31 0.00 1.96 1.88 0.89 0.69 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 24 K 7.91 3.94 0.00 1.72 1.91 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.56 7.81 25 A 7.73 4.17 1.37 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 0.00 0.00 0.00 26 L 8.16 4.17 0.00 1.67 1.69 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.66 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 0.00 0.00 0.00 28 L 8.24 4.69 0.00 1.56 1.61 0.89 0.90 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 29 R 9.98 4.30 0.00 1.70 1.96 0.00 3.27 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 30 R 7.43 4.68 0.00 1.75 1.81 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 31 L 8.01 4.20 0.00 1.70 1.57 0.97 0.77 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 32 Q 9.13 3.73 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 33 Q 7.64 4.16 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 34 E 8.74 5.20 0.00 1.86 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 2.21 2.26 0.00 35 R 9.09 4.47 0.00 1.76 1.71 0.00 3.21 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 36 V 8.48 4.36 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 0.73 0.00 0.00 0.93 0.00 0.00 37 L 9.46 4.90 0.00 1.49 1.49 0.96 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.78 4.02 0.00 1.95 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 2.29 2.37 0.00 39 D 8.87 4.73 0.00 2.86 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.75 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 1.26 0.00 0.00 41 P 0.00 4.36 0.00 2.18 2.13 0.00 3.59 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 2.14 0.00 42 A 7.89 4.04 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 43 I 7.76 3.78 1.95 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 1.36 0.95 0.00 0.00 44 R 7.50 4.14 0.00 2.13 2.01 0.00 3.34 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 45 G 8.43 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 46 N 8.07 4.50 0.00 2.96 2.86 0.00 0.00 6.55 7.00 0.00 0.00 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 7.28 3.52 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 1.02 0.00 0.00 0.95 0.00 0.00 48 E 8.82 3.96 0.00 1.98 2.02 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 2.47 2.49 0.00 49 K 7.78 4.05 0.00 1.92 2.08 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.51 7.81 50 V 7.93 4.02 1.94 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 0.78 0.00 0.00 0.90 0.00 0.00 51 A 7.45 3.99 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 52 H 8.29 4.19 0.00 3.28 3.46 0.00 5.54 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.44 4.03 0.00 1.41 1.63 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.02 4.78 2.03 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 0.75 0.00 0.00 0.86 0.00 0.00 55 R 8.81 4.47 0.00 1.85 1.71 0.00 3.11 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 56 V 8.40 4.80 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 0.86 0.00 0.00 0.92 0.00 0.00 57 E 8.86 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 2.20 2.25 0.00 58 V 8.25 4.72 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 0.82 0.00 0.00 0.93 0.00 0.00 59 V 9.45 4.43 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 0.74 0.00 0.00 0.93 0.00 0.00 *60 E 9.23 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.