NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9070 8.3549 109.7360 45.3417 0.0000 172.6833 2 K 4.3349 8.3783 118.3329 52.3942 33.9506 174.5478 3 K 4.4489 8.3188 123.9370 55.3901 35.3637 176.9059 4 S 4.5109 8.2158 116.9344 57.2372 65.5168 175.2715 5 K 3.8859 8.4178 121.7412 59.4999 32.2002 177.9958 6 A 4.1251 7.9305 120.4285 55.6205 18.3728 179.2324 7 T 3.8206 7.7714 114.1732 67.0297 68.5417 176.5889 8 K 3.9396 8.1426 121.1060 59.3801 32.1357 179.0386 9 K 4.0032 8.0415 118.9605 59.4025 31.8571 179.6239 10 R 3.9446 7.8841 117.9214 59.2302 30.1368 178.8744 11 L 3.9769 8.2056 118.7278 57.5129 41.6566 179.4187 12 A 3.9400 8.1613 120.8449 54.9961 18.3024 179.4729 13 K 3.8324 8.1322 118.0479 59.8451 32.0899 178.6665 14 L 4.2087 7.8914 119.3393 57.3712 41.6441 178.8888 15 D 4.4645 8.0648 117.7657 57.2274 40.9262 177.8515 16 N 4.3369 7.8219 116.5882 56.8017 39.0481 176.7697 17 Q 4.1830 8.3929 119.4696 58.4871 28.4175 177.6740 18 N 4.7499 7.4756 115.3711 53.4337 38.8583 174.5236 19 S 4.5547 7.4594 114.1843 56.7469 64.9368 173.1785 20 R 4.3120 7.9525 120.4946 54.4750 31.1460 175.6215 21 V 3.5714 8.0194 121.6736 61.6029 32.0416 173.9805 22 P 4.1279 0.0000 0.0000 63.0930 31.5656 176.8014 23 A 3.9503 8.7827 122.7501 55.2735 18.2525 180.1243 24 W 4.2285 8.1882 114.5435 59.7581 27.9638 178.3876 25 V 3.4589 6.7605 118.2690 65.2983 30.6767 177.9205 26 M 4.0425 7.9613 119.1134 58.1079 31.7260 178.6281 27 L 3.9749 7.7930 118.6475 57.8143 41.8890 179.1517 28 K 3.9437 8.4725 119.1106 59.0736 32.2183 177.2503 29 T 4.4328 7.7012 106.1314 60.3493 68.8549 173.8073 30 D 4.3018 9.0719 120.3184 55.4350 39.1889 170.4665 31 R 3.8011 7.8988 123.4822 55.5489 30.9308 176.6102 *35 R 3.8002 8.3579 119.5573 56.1201 30.8895 174.8652 36 N 4.5743 8.2225 122.4205 52.0688 38.3906 174.7517 37 H 4.4692 8.4094 122.4774 57.2955 29.0296 176.5243 38 K 4.5715 7.9680 118.6533 55.9226 32.2834 176.4425 39 R 4.0617 7.5879 119.3475 56.1800 30.3476 176.3069 40 R 4.6535 8.4409 122.1632 54.5380 33.2400 173.6858 41 H 5.0312 8.3789 123.0897 53.5744 32.1367 174.9346 42 W 4.2300 8.6638 123.3619 59.5829 28.1769 177.4895 43 R 3.6832 6.0300 117.7036 58.6970 29.6654 177.6334 44 R 3.8928 7.7097 114.9499 58.3042 30.2171 176.2567 45 N 4.8616 7.7935 114.1762 51.4527 40.8963 173.4606 46 D 4.5736 8.1514 117.8323 53.0323 43.5462 175.1217 47 T 4.2729 8.3961 117.0991 61.0286 70.2724 173.3038 48 D 4.6327 8.2252 121.5077 53.9379 42.2658 176.7977 49 E 4.1954 8.6639 118.5986 56.8125 28.8434 175.1582 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 3.91 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 0.00 2 K 8.38 4.33 0.00 1.79 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 K 8.32 4.45 0.00 1.85 1.79 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.40 7.81 4 S 8.22 4.51 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 3.89 0.00 1.77 1.88 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.51 7.81 6 A 7.93 4.13 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 7.77 3.82 4.48 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 1.25 0.00 0.00 8 K 8.14 3.94 0.00 1.94 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 8.04 4.00 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.71 7.81 10 R 7.88 3.94 0.00 2.01 1.98 0.00 3.36 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 11 L 8.21 3.98 0.00 1.68 1.72 0.92 0.86 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 12 A 8.16 3.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.83 0.00 1.84 1.99 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.89 4.21 0.00 1.83 1.76 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.06 4.46 0.00 2.82 2.87 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 0.00 0.00 0.00 16 N 7.82 4.34 0.00 2.81 2.97 0.00 0.00 7.28 6.65 0.00 0.00 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 4.18 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 18 N 7.48 4.75 0.00 2.96 2.88 0.00 0.00 7.15 7.49 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 19 S 7.46 4.55 0.00 4.05 3.87 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 0.00 0.00 0.00 20 R 7.95 4.31 0.00 1.77 1.83 0.00 3.21 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 21 V 8.02 3.57 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 0.67 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.13 0.00 1.48 2.10 0.00 3.50 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.63 0.00 23 A 8.78 3.95 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 24 W 8.19 4.23 0.00 3.57 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 6.76 3.46 1.67 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 0.75 0.00 0.00 -0.77 0.00 0.00 26 M 7.96 4.04 0.00 2.03 2.22 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 2.56 2.77 0.00 27 L 7.79 3.97 0.00 1.92 1.77 0.99 0.88 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 28 K 8.47 3.94 0.00 2.06 2.05 0.00 2.14 0.00 0.00 2.17 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.52 7.81 29 T 7.70 4.43 4.23 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 1.28 0.00 0.00 30 D 9.07 4.30 0.00 2.77 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 31 R 7.90 3.80 0.00 1.96 1.96 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 *35 R 8.36 3.80 0.00 1.73 1.68 0.00 3.23 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 36 N 8.22 4.57 0.00 2.64 2.67 0.00 0.00 7.19 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 8.41 4.47 0.00 3.16 3.33 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 4.57 0.00 1.85 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 7.59 4.06 0.00 1.75 1.88 0.00 3.11 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 40 R 8.44 4.65 0.00 1.73 1.93 0.00 3.22 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.38 5.03 0.00 3.13 2.99 0.00 5.93 0.00 0.00 0.00 0.00 6.65 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 4.23 0.00 3.53 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 6.03 3.68 0.00 0.67 1.21 0.00 2.49 0.00 0.00 2.90 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.00 44 R 7.71 3.89 0.00 1.77 1.91 0.00 3.32 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 45 N 7.79 4.86 0.00 2.90 2.75 0.00 0.00 6.70 7.45 0.00 0.00 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 8.15 4.57 0.00 2.57 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 8.40 4.27 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 1.24 0.00 0.00 48 D 8.23 4.63 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 4.20 0.00 2.07 2.22 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 0.00 2.17 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.