NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9122 8.3549 109.7359 45.2555 0.0000 172.5462 2 K 4.3018 8.3000 117.7158 52.5118 34.5471 174.4848 3 K 4.4209 8.3833 124.1699 55.3989 35.2452 177.0766 4 S 4.5026 8.2422 117.3757 57.3122 65.7500 175.1832 5 K 3.9139 8.4325 121.2050 59.4716 31.8374 178.3714 6 A 3.9599 7.8970 120.5111 55.5365 18.4242 179.2710 7 T 3.8011 7.8473 114.3033 66.8637 68.5068 176.4996 8 K 3.9151 8.0692 121.1587 59.5068 32.2164 178.8894 9 K 3.9748 8.1118 118.6816 59.5776 31.9891 179.5784 10 R 3.9463 8.2032 118.3503 59.2335 30.0103 179.0950 11 L 4.0007 8.4129 119.0229 57.5878 41.5964 179.3363 12 A 3.9807 8.3735 121.1377 55.0297 18.2771 179.4151 13 K 3.8231 8.0870 117.9592 59.8956 32.1671 178.7015 14 L 4.1486 7.9419 119.0491 58.0625 41.2809 179.1887 15 D 4.3282 7.9360 116.9816 57.2554 41.2516 177.5454 16 N 4.4564 7.9903 116.5278 56.9105 39.1078 176.6586 17 Q 4.1406 8.2354 118.5497 58.4400 29.3802 177.8906 18 N 4.7775 7.8756 119.3545 52.9572 38.0991 173.5470 19 S 4.7898 7.2205 112.7417 55.7155 66.7511 173.5269 20 R 3.9704 8.1923 120.3918 55.9119 30.3600 175.8958 21 V 3.6960 8.0812 123.4031 61.2916 32.1712 174.0212 22 P 4.0834 0.0000 0.0000 63.1779 31.5674 176.8237 23 A 3.9607 8.7642 122.8755 55.1998 18.1790 180.0800 24 W 4.2841 8.1141 114.5625 59.6531 28.1613 178.5876 25 V 3.1696 6.7408 118.9156 65.5801 30.7105 177.8589 26 M 3.9798 7.7485 118.6422 58.3186 31.8619 178.6422 27 L 3.9632 7.8483 118.3125 57.8301 41.7516 179.1228 28 K 4.0150 8.1978 118.5611 59.4668 32.1330 177.7532 29 T 4.3230 7.8009 106.5932 60.2950 70.1192 174.4289 30 D 4.2391 9.1638 120.8065 55.8718 38.9169 170.9233 31 R 3.4638 8.1950 123.4955 55.6689 31.2780 177.1555 *35 R 3.7864 8.3847 119.8587 56.0487 30.5662 175.1154 36 N 4.5064 8.2019 123.2371 52.2753 38.1341 175.1025 37 H 4.5512 8.4156 122.3882 57.2091 28.9578 176.4704 38 K 4.5510 8.4516 118.8685 55.8885 32.3118 176.3826 39 R 4.0119 7.7140 118.8835 56.3422 30.2924 176.2390 40 R 4.6904 8.4213 122.0104 54.5263 33.3527 173.7541 41 H 5.0161 8.2811 121.7818 53.5501 32.3858 174.8870 42 W 4.1851 8.4371 123.0272 59.4303 28.2597 177.4586 43 R 3.7318 5.8400 117.8310 58.5853 29.6504 177.6972 44 R 3.8926 7.6860 114.9580 58.1620 30.2232 176.1370 45 N 4.9291 7.6266 113.9564 51.2081 41.1837 173.2927 46 D 4.6541 8.2004 117.7421 52.7999 43.5456 175.2049 47 T 4.2738 8.4032 116.7761 60.9310 70.1305 173.3532 48 D 4.6071 8.1922 122.0388 53.9962 42.4606 176.8369 49 E 4.1272 8.6433 118.4146 57.1245 28.9683 174.8137 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 8.30 4.30 0.00 1.78 1.70 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 K 8.38 4.42 0.00 1.85 1.79 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.41 7.81 4 S 8.24 4.50 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 8.43 3.91 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 A 7.90 3.96 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 3.80 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 8 K 8.07 3.92 0.00 2.03 2.01 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 1.44 1.48 7.81 9 K 8.11 3.97 0.00 1.99 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.77 7.81 10 R 8.20 3.95 0.00 2.03 2.08 0.00 3.56 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 1.79 0.00 11 L 8.41 4.00 0.00 1.79 1.72 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.37 3.98 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 13 K 8.09 3.82 0.00 1.85 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.94 4.15 0.00 1.95 1.74 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.94 4.33 0.00 2.67 2.91 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 16 N 7.99 4.46 0.00 2.78 2.97 0.00 0.00 7.30 6.63 0.00 0.00 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 8.24 4.14 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.42 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 18 N 7.88 4.78 0.00 2.91 2.94 0.00 0.00 6.98 8.78 0.00 0.00 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 7.22 4.79 0.00 3.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.97 0.00 1.76 1.85 0.00 3.25 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 21 V 8.08 3.70 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 0.82 0.00 0.00 22 P 0.00 4.08 0.00 1.49 2.12 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 1.39 1.76 0.00 23 A 8.76 3.96 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 8.11 4.28 0.00 3.59 3.36 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 0.00 25 V 6.74 3.17 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 0.75 0.00 0.00 -0.49 0.00 0.00 26 M 7.75 3.98 0.00 2.05 2.20 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 2.54 2.82 0.00 27 L 7.85 3.96 0.00 1.91 1.77 0.99 0.84 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 28 K 8.20 4.02 0.00 2.08 2.01 0.00 2.08 0.00 0.00 2.10 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.58 7.81 29 T 7.80 4.32 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 1.25 0.00 0.00 30 D 9.16 4.24 0.00 2.72 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 31 R 8.19 3.46 0.00 1.91 1.92 0.00 3.19 0.00 0.00 3.22 7.33 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 8.38 3.79 0.00 1.75 1.76 0.00 3.25 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 36 N 8.20 4.51 0.00 2.65 2.68 0.00 0.00 7.15 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 8.42 4.55 0.00 3.18 3.32 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.45 4.55 0.00 1.80 1.79 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 1.38 1.38 7.81 39 R 7.71 4.01 0.00 1.88 1.88 0.00 3.18 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 40 R 8.42 4.69 0.00 1.73 1.78 0.00 3.20 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 41 H 8.28 5.02 0.00 3.10 2.95 0.00 5.93 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.44 4.19 0.00 3.53 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 5.84 3.73 0.00 0.67 1.14 0.00 2.57 0.00 0.00 2.92 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.30 0.00 44 R 7.69 3.89 0.00 1.75 1.91 0.00 3.31 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 45 N 7.63 4.93 0.00 2.93 2.73 0.00 0.00 6.68 8.07 0.00 0.00 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 8.20 4.65 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 8.19 4.61 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 4.13 0.00 2.15 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 2.18 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.