NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0712 8.0549 120.3905 62.9428 32.2898 174.4778 2 T 4.3903 8.4041 123.8482 59.8750 71.1713 172.0036 3 S 4.7378 8.7990 120.4006 56.7919 67.2860 172.5018 4 Y 4.7417 8.3748 117.8268 56.5410 41.4053 174.9840 5 T 4.8260 8.4483 113.2979 59.8145 71.9858 172.9433 6 L 4.7307 8.2190 123.1180 53.7003 45.2615 174.9300 7 N 5.1678 8.4426 121.6015 51.7373 42.1179 173.3165 8 E 4.6726 8.2212 119.3891 55.1442 32.5768 174.8727 9 V 3.9050 8.2624 118.6310 60.6267 32.3127 175.8623 10 V 4.2970 8.1904 124.3787 60.3733 33.5077 173.9796 11 P 4.5928 0.0000 0.0000 61.1322 30.0614 176.2028 12 L 3.9362 8.3405 127.5378 58.8080 41.5692 178.3987 13 K 3.8527 8.0582 117.5902 59.5682 32.1451 177.5322 14 D 4.6087 7.9015 116.1246 54.8900 41.1020 176.8891 15 V 4.1487 7.4792 117.6048 63.7677 33.2517 175.8180 16 V 4.3818 7.6222 111.1548 58.6311 33.5160 173.7091 17 P 4.5863 0.0000 0.0000 62.2535 31.9584 176.7206 18 E 4.0108 8.7684 118.3925 58.3323 29.5120 177.7983 19 W 4.6535 8.0832 117.6851 54.8102 31.2595 175.1411 20 V 4.6833 8.2775 114.7623 59.7891 35.3736 174.5745 21 R 4.7211 8.3814 118.9606 54.3639 33.0467 175.4081 22 I 4.4666 7.6454 113.9820 59.3514 40.0843 175.4105 23 G 3.8406 7.4610 108.3314 45.6237 0.0000 172.2938 24 F 4.9607 8.3886 116.6365 55.6420 42.2961 174.5895 25 S 4.6756 8.4459 116.2310 56.7310 65.4622 173.0681 26 A 4.5910 8.1759 127.5852 51.0897 21.8212 175.3866 27 T 4.7584 8.0424 110.4612 60.0764 72.1558 172.6220 28 T 4.9855 8.2327 110.8467 60.2200 73.1158 175.1155 29 G 4.2044 8.6016 113.9157 44.9301 0.0000 175.1738 30 A 4.1026 9.1496 127.4114 53.9389 18.4035 177.6631 31 E 4.5964 7.7835 114.4828 55.0025 32.0770 174.0730 32 F 4.9326 6.9069 113.4322 56.6341 40.2367 172.6682 33 A 4.3376 8.1345 120.8043 51.7601 21.1001 175.5503 34 A 4.4191 8.5539 123.1791 51.5169 19.7787 176.9213 35 H 4.9134 8.7075 119.4554 53.7664 31.3496 173.2321 36 E 4.6797 8.4645 120.9317 54.4741 32.6254 174.4943 37 V 4.1961 8.1027 119.3918 61.5340 33.6330 175.0430 38 H 4.7663 8.4751 122.7563 56.5872 30.1544 174.7633 39 S 4.7268 7.6801 110.3927 57.7243 64.9110 174.5155 40 W 5.4193 8.5630 130.2499 56.5831 33.4556 173.8722 41 S 4.7328 8.9045 119.0907 56.6462 65.6409 172.9464 42 F 4.8373 8.0973 122.6126 57.2350 42.2321 173.3761 43 H 4.5704 7.3129 122.7033 54.1768 32.4392 172.8275 44 S 4.4212 8.1916 117.5262 56.3176 65.4033 172.9628 45 Q 4.2396 8.3692 126.0900 54.4767 31.1660 173.5426 46 L 4.4099 8.7816 127.7286 54.9412 43.2416 176.1906 47 G 3.7653 8.8538 117.2108 46.5855 0.0000 173.1756 *48 H 4.5119 7.8484 120.7452 54.6696 28.6895 178.1999 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 V 8.05 4.07 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 0.97 0.00 0.00 0.93 0.00 0.00 2 T 8.40 4.39 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 1.04 0.00 0.00 3 S 8.80 4.74 0.00 3.89 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 Y 8.37 4.74 0.00 2.89 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 5 T 8.45 4.83 4.27 0.00 0.00 0.00 0.00 0.00 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 6 L 8.22 4.73 0.00 1.58 1.55 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.44 5.17 0.00 2.71 2.67 0.00 0.00 6.74 7.66 0.00 0.00 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 E 8.22 4.67 0.00 1.87 1.77 0.00 0.00 0.00 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 2.39 0.00 9 V 8.26 3.91 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 10 V 8.19 4.30 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 0.87 0.00 0.00 0.94 0.00 0.00 11 P 0.00 4.59 0.00 2.41 2.19 0.00 3.78 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 2.07 1.98 0.00 12 L 8.34 3.94 0.00 1.70 1.78 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.06 3.85 0.00 1.73 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.53 7.81 14 D 7.90 4.61 0.00 2.85 2.70 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 0.00 0.00 0.00 15 V 7.48 4.15 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 0.84 0.00 0.00 0.97 0.00 0.00 16 V 7.62 4.38 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 0.76 0.00 0.00 1.03 0.00 0.00 17 P 0.00 4.59 0.00 2.35 2.07 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 18 E 8.77 4.01 0.00 2.03 1.83 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 0.00 2.28 2.35 0.00 19 W 8.08 4.65 0.00 3.23 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 20 V 8.28 4.68 2.10 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 0.76 0.00 0.00 0.94 0.00 0.00 21 R 8.38 4.72 0.00 1.76 1.79 0.00 3.17 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 22 I 7.65 4.47 1.78 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.58 0.75 0.00 0.00 23 G 7.46 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 24 F 8.39 4.96 0.00 2.82 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 4.68 0.00 3.76 3.65 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 26 A 8.18 4.59 1.01 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 0.00 0.00 27 T 8.04 4.76 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 1.20 0.00 0.00 28 T 8.23 4.99 4.56 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 1.40 0.00 0.00 29 G 8.60 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.15 4.10 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 31 E 7.78 4.60 0.00 1.98 1.74 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 2.17 2.22 0.00 32 F 6.91 4.93 0.00 3.07 3.03 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 0.00 0.00 0.00 0.00 33 A 8.13 4.34 1.12 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 0.00 0.00 34 A 8.55 4.42 1.24 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 0.00 0.00 0.00 35 H 8.71 4.91 0.00 3.04 3.15 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.46 4.68 0.00 2.01 1.85 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 2.15 2.32 0.00 37 V 8.10 4.20 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 -0.02 0.00 0.00 38 H 8.48 4.77 0.00 3.13 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.68 4.73 0.00 4.02 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 40 W 8.56 5.42 0.00 3.34 3.19 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 0.00 41 S 8.90 4.73 0.00 4.00 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 42 F 8.10 4.84 0.00 2.64 2.60 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 43 H 7.31 4.57 0.00 2.88 2.98 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.19 4.42 0.00 3.72 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 45 Q 8.37 4.24 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 46 L 8.78 4.41 0.00 1.51 1.46 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *48 H 7.85 4.51 0.00 2.69 2.89 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.