NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8443 8.3549 109.7357 45.2958 0.0000 173.1491 2 K 4.2540 8.3615 119.1827 52.4215 33.1802 174.8057 3 K 4.3559 8.2879 123.9795 55.8679 35.0683 176.8590 4 S 4.6196 8.1125 115.9563 56.9423 66.1999 175.0920 5 K 3.8611 8.4349 121.6917 59.5189 31.8397 178.4159 6 A 3.9546 7.9002 120.4813 55.4959 18.3954 179.4493 7 T 3.8126 7.6294 114.3477 66.6779 68.4416 176.5841 8 K 3.8743 8.2982 121.6315 59.4917 32.2111 178.7915 9 K 3.9210 7.9452 118.6134 59.6027 31.9217 179.4698 10 R 3.9359 8.0356 118.0799 59.3197 29.9740 179.0907 11 L 3.9606 8.1623 118.6071 57.6744 41.5861 179.3511 12 A 3.9732 8.2543 120.9288 55.0578 18.3261 179.5229 13 K 3.8592 8.0325 117.9403 59.8202 32.0868 178.9172 14 L 4.1059 7.9206 117.9827 57.8927 41.9062 178.7976 15 D 4.4693 8.2854 118.1783 57.1798 41.0484 177.8359 16 N 4.3403 8.2769 117.7061 56.7745 38.8569 176.7185 17 Q 4.2289 8.3930 117.8345 57.7498 28.7206 176.8577 18 N 4.8030 7.5526 117.6401 52.8424 39.1940 174.4501 19 S 4.5660 7.2980 113.9845 56.7912 64.8245 173.2898 20 R 4.3082 8.0021 120.4975 54.5927 31.0285 175.7569 21 V 3.6011 8.0857 122.0590 61.7958 31.9488 174.1211 22 P 4.2995 0.0000 0.0000 63.0526 31.7641 176.7387 23 A 3.9450 8.9591 122.8061 55.4120 18.3137 180.1239 24 W 4.2664 8.4881 114.4759 59.9334 27.8037 178.3434 25 V 2.8859 6.6132 118.5025 65.2010 30.7345 178.0677 26 M 3.9494 7.9676 119.2417 58.3460 31.7195 178.6091 27 L 4.0175 7.7890 118.6699 57.6827 41.6980 179.3197 28 K 4.1135 8.1838 118.5491 58.4184 32.2168 177.8363 29 T 4.4141 7.2775 107.1154 60.3065 69.3949 173.5804 30 D 4.2982 8.4304 120.0531 55.3220 39.2390 170.3463 31 E 3.7355 7.8800 122.9829 55.7155 30.1771 174.6452 *35 R 3.8278 8.3048 120.0186 56.0356 31.1286 174.5780 36 N 4.6519 8.4239 121.5659 52.1452 39.0727 173.9386 37 H 4.4902 8.5632 122.5868 57.0741 29.1563 176.3594 38 K 4.5478 8.0381 118.5581 55.9256 32.1732 176.5497 39 R 3.9608 7.9242 118.7298 56.3378 30.3295 176.2067 40 R 4.4468 8.3288 121.9477 54.6042 32.4443 173.8960 41 H 4.6274 8.6222 125.7219 54.9035 30.8308 175.9903 42 W 4.2178 8.4527 122.9999 59.3513 28.3464 177.4434 43 R 3.7917 6.1907 117.8438 58.5629 29.7114 177.6527 44 R 3.9205 7.7043 114.8354 58.1620 30.2640 176.2310 45 N 4.9395 7.8235 113.9837 51.3147 41.0246 173.3040 46 D 4.7682 8.2043 117.8424 52.7564 43.9334 175.2380 47 T 4.3401 8.3362 116.3354 60.6000 70.5012 173.3255 48 D 4.6112 8.1780 121.8996 53.9063 42.4626 176.8267 49 E 4.1468 8.6587 118.4194 57.0695 28.8992 174.8886 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 G 8.35 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 0.00 0.00 0.00 2 K 8.36 4.25 0.00 1.80 1.75 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 K 8.29 4.36 0.00 1.86 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 S 8.11 4.62 0.00 4.06 4.04 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 0.00 0.00 0.00 0.00 5 K 8.43 3.86 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.90 3.95 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 7 T 7.63 3.81 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 1.26 0.00 0.00 8 K 8.30 3.87 0.00 1.90 1.99 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 K 7.95 3.92 0.00 2.06 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.72 7.81 10 R 8.04 3.94 0.00 2.04 1.98 0.00 3.36 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 1.66 1.68 0.00 11 L 8.16 3.96 0.00 1.82 1.72 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.25 3.97 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 13 K 8.03 3.86 0.00 1.86 2.00 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.92 4.11 0.00 1.85 1.75 0.94 1.32 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 15 D 8.29 4.47 0.00 2.80 2.85 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 16 N 8.28 4.34 0.00 2.85 2.97 0.00 0.00 7.22 6.32 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 17 Q 8.39 4.23 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.14 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 18 N 7.55 4.80 0.00 3.03 2.90 0.00 0.00 7.12 6.91 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 19 S 7.30 4.57 0.00 4.00 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 20 R 8.00 4.31 0.00 1.79 1.85 0.00 3.23 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 21 V 8.09 3.60 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 0.70 0.00 0.00 0.85 0.00 0.00 22 P 0.00 4.30 0.00 2.28 2.37 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.10 0.00 23 A 8.96 3.95 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 24 W 8.49 4.27 0.00 3.67 3.38 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 25 V 6.61 2.89 1.69 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 0.66 0.00 0.00 -0.60 0.00 0.00 26 M 7.97 3.95 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.83 0.00 27 L 7.79 4.02 0.00 1.90 1.76 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.18 4.11 0.00 2.02 1.86 0.00 2.19 0.00 0.00 1.98 0.00 0.00 3.19 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.55 7.81 29 T 7.28 4.41 4.19 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 1.19 0.00 0.00 30 D 8.43 4.30 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.88 3.74 0.00 2.13 1.96 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 2.21 2.25 0.00 *35 R 8.30 3.83 0.00 1.73 1.63 0.00 3.21 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 N 8.42 4.65 0.00 2.60 2.69 0.00 0.00 7.24 7.89 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 37 H 8.56 4.49 0.00 3.16 3.33 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.04 4.55 0.00 1.87 1.81 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.40 7.81 39 R 7.92 3.96 0.00 1.79 1.88 0.00 3.19 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 40 R 8.33 4.45 0.00 1.72 1.80 0.00 3.26 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 41 H 8.62 4.63 0.00 3.16 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.45 4.22 0.00 3.49 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 43 R 6.19 3.79 0.00 0.67 1.25 0.00 2.36 0.00 0.00 2.84 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.25 0.00 44 R 7.70 3.92 0.00 1.76 1.91 0.00 3.32 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 45 N 7.82 4.94 0.00 2.94 2.74 0.00 0.00 6.70 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 46 D 8.20 4.77 0.00 2.58 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.34 4.34 4.26 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 1.25 0.00 0.00 48 D 8.18 4.61 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 4.15 0.00 2.12 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 0.00 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.