NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8385 8.3549 109.7359 45.2474 0.0000 173.2873 2 K 4.2380 8.3683 120.2248 52.3601 33.0627 174.9202 3 K 4.3056 8.2910 123.9125 56.0889 34.9356 176.7087 4 S 4.6557 8.0608 115.5380 56.8191 66.4465 174.9842 5 K 3.9022 8.3905 121.2684 59.3931 31.7534 178.3343 6 A 3.9082 7.9010 120.5944 55.4734 18.4167 179.1617 7 T 3.8103 7.6439 113.6575 66.9848 68.6376 176.4513 8 K 3.9043 8.3359 121.3474 59.5451 32.1577 178.9127 9 K 4.0126 7.9734 118.7022 59.5069 31.9653 179.6134 10 R 3.9492 8.1799 118.5133 59.1601 29.9781 179.0473 11 L 3.9927 8.3389 119.0015 57.6878 41.6253 179.3312 12 A 3.9884 8.0473 120.6825 55.0632 18.2751 179.5750 13 K 3.8837 8.0587 118.0235 59.7529 32.0836 178.9753 14 L 4.0478 7.7535 117.9853 57.9109 41.6667 178.7787 15 D 4.4666 8.2446 118.0686 57.1216 40.9671 177.8344 16 N 4.3628 8.1931 117.8624 56.5880 38.8225 176.7788 17 Q 4.1624 8.3631 118.3705 57.8545 28.7296 176.8876 18 N 4.7893 7.4410 117.9528 52.8646 39.1438 174.4686 19 S 4.5758 7.1953 114.1164 56.8514 64.8414 173.2491 20 R 4.3523 7.9817 120.4259 54.3978 31.1560 175.8289 21 V 3.5351 8.1210 122.3637 61.9953 31.9533 174.1604 22 P 4.2423 0.0000 0.0000 62.9207 31.7867 176.6384 23 A 3.9494 8.9876 123.4964 55.4556 18.2120 180.0103 24 W 4.2613 8.3903 114.3868 59.9680 28.0603 178.4330 25 V 3.0336 6.7775 118.5761 65.3669 30.7319 178.0159 26 M 4.0088 7.9202 119.0930 58.2476 31.7387 178.6413 27 L 4.0268 7.7931 118.7221 57.6658 41.7642 179.2740 28 K 4.1783 8.2100 118.5343 58.4850 32.2079 177.8474 29 T 4.4232 7.4013 107.0775 60.3072 69.3057 173.6328 30 D 4.3089 8.5394 119.4636 55.2725 39.2828 170.2046 31 E 3.7187 7.8750 123.1904 55.6854 30.1917 174.6334 *35 R 3.8277 8.3119 120.0596 56.0381 31.1158 174.5916 36 N 4.6400 8.4127 121.6113 52.1382 39.0349 173.8568 37 H 4.5256 8.5485 122.2044 56.8898 29.0474 176.3075 38 K 4.5825 8.1912 118.9258 55.9396 32.3403 176.4358 39 R 4.0064 7.9648 118.7044 56.1710 30.3842 176.1561 40 R 4.4756 8.3859 122.2170 54.6142 32.4943 173.8385 41 H 4.7293 8.6205 125.5227 54.6207 30.9577 175.8510 42 W 4.2228 8.6085 123.1926 59.3501 28.2609 177.3336 43 R 3.7829 6.2118 117.7056 58.4313 29.7254 177.6315 44 R 3.9398 7.6936 114.7377 58.0279 30.3099 176.0480 45 N 4.9579 7.8565 114.0764 51.2677 41.1183 173.3197 46 D 4.7150 8.1840 117.8380 52.7893 43.9005 175.3249 47 T 4.3176 8.3777 116.6179 60.8804 70.6324 172.8119 48 D 4.6473 8.2037 121.3448 53.7675 42.8796 176.7706 49 E 4.1322 8.6802 118.4974 57.2597 28.9465 174.7034 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 3.84 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 2 K 8.37 4.24 0.00 1.81 1.75 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.43 7.81 3 K 8.29 4.31 0.00 1.86 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 4 S 8.06 4.66 0.00 4.06 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 8.39 3.90 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 A 7.90 3.91 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 7.64 3.81 4.49 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 1.25 0.00 0.00 8 K 8.34 3.90 0.00 1.88 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 9 K 7.97 4.01 0.00 2.05 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 1.69 7.81 10 R 8.18 3.95 0.00 2.01 1.98 0.00 3.34 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 1.67 0.00 11 L 8.34 3.99 0.00 1.79 1.72 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.05 3.99 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 8.06 3.88 0.00 1.86 1.97 0.00 1.65 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 1.49 7.81 14 L 7.75 4.05 0.00 1.89 1.74 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.24 4.47 0.00 2.80 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 16 N 8.19 4.36 0.00 2.86 2.96 0.00 0.00 7.15 6.41 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 17 Q 8.36 4.16 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.15 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 18 N 7.44 4.79 0.00 2.94 2.89 0.00 0.00 7.12 7.51 0.00 0.00 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 7.20 4.58 0.00 4.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.35 0.00 1.78 1.84 0.00 3.23 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 21 V 8.12 3.54 1.98 0.00 0.00 0.00 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 0.85 0.00 0.00 22 P 0.00 4.24 0.00 2.07 2.27 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.92 0.00 23 A 8.99 3.95 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 24 W 8.39 4.26 0.00 3.63 3.37 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 25 V 6.78 3.03 1.68 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 0.69 0.00 0.00 -0.63 0.00 0.00 26 M 7.92 4.01 0.00 2.02 2.18 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 2.57 2.84 0.00 27 L 7.79 4.03 0.00 1.91 1.76 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.21 4.18 0.00 2.07 1.89 0.00 2.19 0.00 0.00 2.07 0.00 0.00 3.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.56 7.81 29 T 7.40 4.42 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 1.23 0.00 0.00 30 D 8.54 4.31 0.00 2.79 2.76 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 0.00 0.00 0.00 0.00 31 E 7.88 3.72 0.00 2.13 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 0.00 2.21 2.25 0.00 *35 R 8.31 3.83 0.00 1.73 1.64 0.00 3.20 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 N 8.41 4.64 0.00 2.60 2.68 0.00 0.00 7.24 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 8.55 4.53 0.00 3.16 3.33 0.00 5.91 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 8.19 4.58 0.00 1.84 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 7.96 4.01 0.00 1.79 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 1.63 1.72 0.00 40 R 8.39 4.48 0.00 1.73 1.80 0.00 3.26 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 1.53 1.59 0.00 41 H 8.62 4.73 0.00 3.16 3.03 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 8.61 4.22 0.00 3.48 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 6.21 3.78 0.00 0.67 1.21 0.00 2.41 0.00 0.00 2.86 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 0.00 44 R 7.69 3.94 0.00 1.76 1.91 0.00 3.32 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 1.48 1.48 0.00 45 N 7.86 4.96 0.00 2.94 2.74 0.00 0.00 6.68 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 46 D 8.18 4.72 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 8.38 4.32 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 1.25 0.00 0.00 48 D 8.20 4.65 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 8.68 4.13 0.00 2.14 2.07 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 0.00 2.18 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.