NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2913 8.1133 120.8600 56.2315 31.0907 175.7363 2 M 3.8358 8.7581 113.5977 57.6457 31.7908 176.7529 3 K 3.9732 8.7959 121.3330 59.4449 32.7888 178.4179 4 Q 3.9615 7.9454 117.8187 58.9484 28.7891 178.0837 5 I 3.6813 7.4328 120.9685 64.8054 37.3078 178.3541 6 E 3.9948 8.3177 119.0127 59.3164 29.2774 179.0850 7 D 4.4188 8.0347 119.0881 56.9293 40.8728 178.6817 8 K 3.9973 8.3497 120.5992 59.2542 32.2026 178.8890 9 L 3.9972 8.1959 119.6174 57.9775 41.5127 179.4346 10 E 4.0375 8.1262 118.1736 59.2945 29.3934 179.0395 11 E 3.9755 8.3078 119.5247 59.1115 29.6020 178.8171 12 I 3.6967 8.2411 120.3636 64.3378 37.1919 178.2415 13 L 3.8887 7.9243 119.5269 57.9785 41.5470 179.6861 14 S 4.2945 8.4435 115.2930 61.7470 62.7989 176.6596 15 K 3.9419 8.1460 122.0757 59.6563 31.8252 178.6593 16 L 3.9367 8.1934 119.3319 57.9223 41.4209 179.0789 17 Y 4.1802 7.8817 116.6729 61.3216 37.7529 177.9900 18 H 4.1016 8.4615 119.1163 59.3879 29.8936 177.3735 19 I 3.9607 7.9141 122.7920 63.9630 37.1026 177.9563 20 E 3.9553 8.1981 119.4174 59.9025 29.2962 179.4698 21 N 4.4019 8.4519 116.2498 56.2545 38.4121 177.3828 22 E 3.9220 8.3358 120.2071 59.4512 29.6515 179.4429 23 L 3.9816 8.1733 118.8507 57.6011 41.4877 179.4084 24 A 4.0591 7.8420 120.4506 54.9041 18.2778 179.6302 25 R 3.9376 8.3317 117.6162 59.3418 30.0692 179.1005 26 G 3.5966 7.8387 106.0742 47.4262 0.0000 175.9702 27 K 4.0047 7.7708 120.2449 59.4468 32.6238 178.7846 28 K 3.9902 7.5496 120.0212 59.5823 32.2430 178.5569 29 L 4.1230 7.5412 117.8870 57.8690 41.5281 178.7167 30 L 3.9142 7.7668 118.3728 57.9865 41.6416 177.5002 *31 G 3.7279 7.7867 111.7689 45.8963 0.0000 172.2597 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 R 8.11 4.29 0.00 1.90 1.85 0.00 3.22 0.00 0.00 3.34 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 2 M 8.76 3.84 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 3 K 8.80 3.97 0.00 1.86 1.80 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.49 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.59 7.81 4 Q 7.95 3.96 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 5 I 7.43 3.68 1.87 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 0.83 0.91 0.00 0.00 6 E 8.32 3.99 0.00 2.11 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 2.43 2.49 0.00 7 D 8.03 4.42 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.35 4.00 0.00 2.06 1.80 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 9 L 8.20 4.00 0.00 1.91 1.71 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.13 4.04 0.00 2.03 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 2.35 2.48 0.00 11 E 8.31 3.98 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 2.31 2.36 0.00 12 I 8.24 3.70 2.10 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 0.58 0.89 0.00 0.00 13 L 7.92 3.89 0.00 1.97 1.80 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.44 4.29 0.00 3.88 3.99 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 0.00 0.00 0.00 15 K 8.15 3.94 0.00 2.10 1.82 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 16 L 8.19 3.94 0.00 1.72 1.52 0.83 0.95 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 17 Y 7.88 4.18 0.00 3.17 2.94 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 0.00 0.00 0.00 0.00 18 H 8.46 4.10 0.00 3.41 3.54 0.00 5.78 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 19 I 7.91 3.96 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.30 0.90 0.00 0.00 20 E 8.20 3.96 0.00 2.28 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 0.00 2.32 2.54 0.00 21 N 8.45 4.40 0.00 2.88 2.85 0.00 0.00 7.08 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.34 3.92 0.00 2.13 1.97 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 2.28 2.26 0.00 23 L 8.17 3.98 0.00 1.84 1.71 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.84 4.06 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 25 R 8.33 3.94 0.00 2.09 2.13 0.00 3.08 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 26 G 7.84 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.77 4.00 0.00 1.96 1.96 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 28 K 7.55 3.99 0.00 1.71 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.54 7.81 29 L 7.54 4.12 0.00 1.74 1.72 0.92 1.09 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 30 L 7.77 3.91 0.00 1.86 1.69 0.92 0.92 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 *31 G 7.79 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.