NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8331 8.3549 109.7360 45.3529 0.0000 173.0913 2 K 4.2331 8.3404 118.9819 52.4205 32.8372 174.6674 3 K 4.3113 8.2640 124.4542 55.6580 34.9105 177.4094 4 S 4.4752 8.3045 117.8656 57.4663 65.6753 175.1030 5 K 3.9415 8.4482 121.3168 59.4358 31.8709 178.4686 6 A 3.9756 7.8814 120.6709 55.4732 18.4936 179.4046 7 T 3.8271 7.8541 114.3286 66.7907 68.5168 176.6915 8 K 3.9700 8.1026 121.4462 59.3635 32.2193 179.0820 9 K 4.0082 7.9284 118.7218 59.5217 31.9180 179.6040 10 R 3.9543 8.1450 118.3509 59.2060 29.9372 179.0780 11 L 3.9772 8.1479 118.6433 57.5580 41.5693 179.4068 12 A 3.9588 8.0744 120.7101 55.0957 18.4061 179.4853 13 K 3.8559 8.1245 118.0843 59.7414 32.0098 178.8856 14 L 4.0077 7.8922 118.1595 57.8741 41.7096 178.6862 15 D 4.4645 8.2534 118.0999 57.3811 41.2760 177.8426 16 N 4.3643 8.4178 117.6113 56.5383 38.7490 176.8751 17 Q 4.1375 8.0547 118.5431 58.3347 28.8312 177.5476 18 N 4.6355 7.5562 116.0165 53.2217 38.8597 175.4142 19 S 4.3559 7.0933 115.2796 57.6590 63.9978 174.0382 20 R 4.0633 8.0811 121.5657 55.2998 30.6538 176.2447 21 V 3.5191 8.0723 121.4858 61.8232 31.5381 173.8286 22 P 4.0142 0.0000 0.0000 62.8936 31.4894 176.6040 23 A 3.9610 8.9379 124.6165 55.4426 18.5819 179.9053 24 W 4.3035 8.1781 112.9286 59.7497 28.1330 178.4062 25 V 3.5434 6.7070 118.4957 65.7704 30.6555 178.0256 26 M 4.0099 7.6677 118.4844 58.3138 31.9624 178.7155 27 L 3.9954 7.7863 118.5488 57.7247 41.7300 179.2286 28 K 4.0347 8.6085 118.8902 59.4002 32.2872 178.0216 29 T 4.2377 7.9930 106.8646 60.8189 70.1404 173.9242 30 D 4.2551 8.4762 120.7029 55.7061 38.9284 170.5992 31 R 3.5107 7.9785 123.0402 55.5913 31.1573 177.3208 *35 R 3.8408 8.3254 119.4065 56.2775 30.0714 174.9720 36 N 4.5268 8.1959 122.6078 51.9620 37.8809 174.4823 37 H 4.5082 8.2097 120.5252 56.9177 28.9676 176.2199 38 K 4.5369 7.7022 119.2148 55.8588 32.5880 177.0464 39 R 4.1075 8.1281 119.2329 55.6673 29.5760 176.1918 40 R 4.4681 8.3553 123.9565 54.5174 31.6519 175.0174 41 H 4.7149 8.5024 125.3086 54.6716 31.0680 175.8344 42 W 4.1618 8.2849 122.4453 59.3625 28.1592 177.3235 43 R 3.8702 5.9570 117.8139 58.2449 29.9599 177.1538 44 R 3.8893 7.8261 115.7185 58.7947 30.2073 176.3681 45 N 4.9009 7.5656 113.4498 51.7220 40.9377 173.3013 46 D 4.5945 8.1639 117.6390 53.4855 43.8791 175.3746 47 T 4.3088 8.3397 116.7430 60.7301 70.1666 173.6307 48 D 4.5779 8.1746 122.1887 54.4663 41.9965 176.7740 49 E 4.1399 8.6429 118.5138 56.9607 28.9160 174.9311 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 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.34 4.23 0.00 1.81 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.43 7.81 3 K 8.26 4.31 0.00 1.86 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 S 8.30 4.48 0.00 4.07 4.06 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 0.00 0.00 0.00 5 K 8.45 3.94 0.00 1.84 1.84 0.00 1.71 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 1.50 1.50 7.81 6 A 7.88 3.98 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 7.85 3.83 4.45 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 0.00 0.00 0.00 1.24 0.00 0.00 8 K 8.10 3.97 0.00 1.94 2.03 0.00 1.63 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 1.43 1.48 7.81 9 K 7.93 4.01 0.00 2.04 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 1.63 7.81 10 R 8.15 3.95 0.00 2.04 1.98 0.00 3.35 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 L 8.15 3.98 0.00 1.85 1.72 0.92 0.59 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 12 A 8.07 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.86 0.00 1.85 1.98 0.00 1.65 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 1.44 1.49 7.81 14 L 7.89 4.01 0.00 1.87 1.74 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.25 4.46 0.00 2.79 2.86 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 16 N 8.42 4.36 0.00 2.85 2.91 0.00 0.00 7.21 6.30 0.00 0.00 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 8.05 4.14 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 18 N 7.56 4.64 0.00 2.87 2.88 0.00 0.00 7.01 7.43 0.00 0.00 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 7.09 4.36 0.00 4.00 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 20 R 8.08 4.06 0.00 1.77 1.83 0.00 3.22 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 21 V 8.07 3.52 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 0.69 0.00 0.00 0.86 0.00 0.00 22 P 0.00 4.01 0.00 1.52 2.04 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.68 0.00 23 A 8.94 3.96 1.38 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 0.00 0.00 24 W 8.18 4.30 0.00 3.58 3.34 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 0.00 0.00 0.00 0.00 25 V 6.71 3.54 1.76 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 0.81 0.00 0.00 -0.36 0.00 0.00 26 M 7.67 4.01 0.00 2.00 2.30 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 27 L 7.79 4.00 0.00 1.93 1.77 1.00 0.60 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 8.61 4.03 0.00 2.05 2.03 0.00 2.13 0.00 0.00 2.09 0.00 0.00 3.18 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.57 7.81 29 T 7.99 4.24 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 1.29 0.00 0.00 30 D 8.48 4.26 0.00 2.87 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 7.98 3.51 0.00 1.95 1.92 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 1.56 1.58 0.00 *35 R 8.33 3.84 0.00 1.78 1.87 0.00 3.23 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 36 N 8.20 4.53 0.00 2.60 2.70 0.00 0.00 7.26 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 8.21 4.51 0.00 3.18 3.32 0.00 5.72 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.70 4.54 0.00 1.83 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.38 7.81 39 R 8.13 4.11 0.00 1.79 1.91 0.00 3.16 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 40 R 8.36 4.47 0.00 1.75 1.83 0.00 3.25 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 41 H 8.50 4.71 0.00 3.15 3.01 0.00 5.92 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.28 4.16 0.00 3.50 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 5.96 3.87 0.00 0.67 1.21 0.00 2.52 0.00 0.00 2.89 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.33 0.00 44 R 7.83 3.89 0.00 1.74 1.91 0.00 3.31 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 45 N 7.57 4.90 0.00 3.00 2.77 0.00 0.00 6.77 8.05 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 46 D 8.16 4.59 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 8.34 4.31 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 8.17 4.58 0.00 2.70 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 49 E 8.64 4.14 0.00 2.13 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 0.00 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.