NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 5.0835 8.0916 118.3414 57.3896 39.9408 174.7070 2 N 3.7648 8.1557 115.1644 55.2708 36.7988 172.8521 3 S 3.4421 7.3340 116.7648 59.6408 65.1264 174.9187 4 G 3.8578 7.7681 104.5910 45.8809 0.0000 171.9207 5 K 4.2230 7.2592 113.4222 56.0378 34.5808 177.6069 6 L 3.9690 8.0882 130.0627 53.4294 43.9831 176.7220 *9 F 4.8549 8.5015 121.7754 56.7795 40.6315 175.6711 10 V 4.1383 7.4965 120.6571 61.7071 33.3546 177.0821 11 Q 4.4057 8.3175 125.1883 55.7673 27.7676 178.3241 12 G 3.8900 8.6188 116.3445 44.8387 0.0000 172.0515 13 N 4.8031 8.3206 123.2509 51.0109 41.1351 175.7134 14 L 4.1626 8.1825 125.8246 55.0157 41.1472 178.9052 *16 R 4.1428 8.0061 116.8292 56.4206 31.5461 175.9400 *18 C 5.0035 8.0939 116.2228 57.5592 45.1907 173.7083 19 M 4.3881 7.8206 117.8045 55.6354 31.9415 175.6820 *22 K 4.2036 7.8250 119.1024 56.3039 33.4903 174.2332 23 C 5.5291 8.2752 119.6720 56.4369 45.7123 173.0244 24 S 5.0938 8.6860 120.3135 56.8515 64.4183 174.5539 25 F 2.0000 8.2442 123.6523 57.8482 36.9058 174.9169 *28 A 4.0173 8.1974 127.7896 51.5761 20.5962 179.6508 29 R 3.6531 6.6427 115.9282 55.9911 28.5666 177.3514 *31 V 4.1107 7.4270 118.2762 62.6614 34.4265 177.0144 32 F 4.5182 7.6650 120.4038 57.5781 38.3974 177.2971 *34 N 4.3280 8.4870 108.5128 52.9214 38.8202 175.7895 35 T 3.5426 7.5596 123.5143 61.1652 67.3334 175.9606 *37 R 4.2204 8.0424 120.0665 55.7397 32.3094 176.8877 38 T 4.0589 6.9428 111.4026 63.9774 67.8399 175.9866 39 T 4.5267 7.8827 116.8851 64.2818 68.0823 176.0262 *41 F 4.8779 8.0828 126.4058 58.0768 41.2260 176.7260 42 W 4.8705 8.6640 130.1737 60.0829 30.7310 177.1623 43 K 4.6233 8.1600 115.6427 56.7602 31.2018 176.9836 44 Q 4.5776 7.9618 115.4792 55.5704 30.2501 175.1346 45 Y 4.4911 7.8479 116.5954 56.4812 41.3403 176.5430 46 V 3.5999 7.1437 120.9560 63.1631 31.1772 175.3278 47 D 4.7244 8.5740 117.7968 54.5631 41.7693 173.8471 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 Y 8.09 5.08 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.16 3.76 0.00 2.90 2.72 0.00 0.00 7.08 6.75 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 3 S 7.33 3.44 0.00 3.66 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.77 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.26 4.22 0.00 1.57 1.44 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.35 7.81 6 L 8.09 3.97 0.00 1.46 1.46 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *9 F 8.50 4.85 0.00 2.96 3.01 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 0.00 0.00 0.00 10 V 7.50 4.14 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 0.80 0.00 0.00 0.92 0.00 0.00 11 Q 8.32 4.41 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 12 G 8.62 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 0.00 0.00 0.00 13 N 8.32 4.80 0.00 2.65 2.72 0.00 0.00 7.20 7.85 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 14 L 8.18 4.16 0.00 1.73 1.69 0.43 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 *16 R 8.01 4.14 0.00 1.81 1.99 0.00 3.27 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 *18 C 8.09 5.00 0.00 3.07 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.82 4.39 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 *22 K 7.83 4.20 0.00 1.87 1.84 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.64 1.58 7.81 23 C 8.28 5.53 0.00 3.19 3.32 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 24 S 8.69 5.09 0.00 4.11 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 25 F 8.24 2.00 0.00 1.51 2.40 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 *28 A 8.20 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 6.64 3.65 0.00 0.99 1.52 0.00 3.17 0.00 0.00 2.99 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.24 0.00 *31 V 7.43 4.11 2.04 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 0.75 0.00 0.00 0.90 0.00 0.00 32 F 7.67 4.52 0.00 2.72 2.56 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 0.00 0.00 0.00 *34 N 8.49 4.33 0.00 2.69 2.32 0.00 0.00 6.54 7.22 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 35 T 7.56 3.54 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 *37 R 8.04 4.22 0.00 1.33 1.33 0.00 3.60 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 38 T 6.94 4.06 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 39 T 7.88 4.53 4.36 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 1.23 0.00 0.00 *41 F 8.08 4.88 0.00 3.43 3.46 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 0.00 42 W 8.66 4.87 0.00 4.14 3.46 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 0.00 43 K 8.16 4.62 0.00 2.05 1.89 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.50 7.81 44 Q 7.96 4.58 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 45 Y 7.85 4.49 0.00 2.40 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.14 3.60 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 0.67 0.00 0.00 0.71 0.00 0.00 47 D 8.57 4.72 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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.