NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8429 8.3393 109.7411 45.6275 0.0000 173.9542 *2 S 4.4179 8.4141 113.5469 57.8155 64.7930 175.4016 3 Q 3.6540 7.8200 118.1671 57.5922 28.6731 175.6605 4 F 4.8525 7.0345 117.5496 56.0639 40.0023 175.3136 5 Q 4.6654 8.4216 124.3182 53.4599 31.0478 175.0354 6 E 3.9540 8.6365 120.5746 56.5142 30.0311 176.0768 7 V 4.3023 8.1864 125.7983 60.9053 32.8238 175.6545 8 R 4.1215 8.4483 126.6086 55.6716 31.0686 175.2992 9 P 4.6551 0.0000 0.0000 62.4525 30.4043 175.4320 10 V 4.5178 7.0788 109.6121 59.6025 36.2400 175.9070 11 A 4.0646 8.5440 124.0861 52.6774 18.6219 177.2030 12 Q 4.5869 8.5443 120.4542 53.6880 30.3687 175.5876 13 A 4.2133 8.3934 126.1273 53.4593 18.9866 177.1829 14 L 3.7265 8.6061 118.6267 54.9229 39.0626 174.1225 15 Y 4.9052 7.0591 115.1457 55.1807 41.2858 173.5821 16 P 4.6172 0.0000 0.0000 62.7731 32.4785 175.5822 17 T 4.5881 7.9844 114.1041 62.0760 70.5274 173.3617 18 H 5.0335 8.3451 121.3045 53.0620 31.9434 173.4370 19 P 4.4942 0.0000 0.0000 65.4187 31.5146 177.2594 20 S 4.6671 7.4645 109.8201 56.2790 67.2271 175.5111 21 T 3.9035 8.4745 112.9937 64.5236 68.3801 176.1946 22 K 3.8580 7.5516 123.1075 59.8383 32.1247 178.3653 23 D 4.6195 8.3697 119.4343 56.7991 40.7710 178.4700 24 A 3.8364 8.2205 121.3079 55.0535 18.2736 179.7388 25 L 4.1198 8.1558 117.4567 58.0266 41.2393 179.3856 26 E 3.9472 8.2834 118.4921 59.7427 29.0538 179.4851 27 E 4.0380 8.4813 118.3737 59.2046 29.5238 179.2105 28 A 4.2043 8.3444 121.0707 55.2497 18.0894 179.6904 29 R 3.5466 8.4255 117.3858 59.2019 29.8046 178.7374 30 L 4.0565 7.6219 117.8613 57.4637 41.6151 178.9251 31 L 4.1345 7.4908 117.7706 55.8189 43.0699 177.2560 32 F 4.5746 7.9575 116.3817 55.0461 38.9954 172.8564 33 P 4.5111 0.0000 0.0000 63.7194 32.3335 178.7547 34 G 3.6939 8.0505 107.2245 47.3777 0.0000 174.0892 35 G 3.9397 7.9154 108.3498 44.8993 0.0000 173.6044 36 T 4.2163 8.1665 109.7309 61.3832 70.7341 174.9516 37 H 4.1390 8.7810 121.9287 59.7410 29.9805 176.6676 38 H 4.2688 8.2842 118.5068 59.5960 30.0583 176.5084 39 D 4.5476 8.1661 120.4765 57.1179 40.5081 178.6149 40 F 4.1370 8.2504 117.0518 59.4694 38.8377 176.3170 *42 R 4.0197 7.8547 117.8445 56.0951 31.7538 176.6188 43 A 3.9811 7.9602 120.4384 55.4347 18.4993 179.6286 44 L 4.1412 7.6747 113.3237 55.5705 41.3162 179.2767 *46 G 3.7881 8.1311 110.4212 45.8408 0.0000 175.2938 47 Y 3.6169 7.7594 120.4333 60.4663 38.7011 176.9845 48 H 4.0299 8.5020 119.5377 59.7226 29.9045 176.7549 49 N 4.3036 8.1353 117.3297 56.5499 38.4233 177.3953 50 T 3.6797 7.6455 117.0174 66.5499 68.3179 176.5125 51 L 3.7541 7.5189 121.1306 57.8311 42.1257 178.6766 52 V 3.6393 7.5573 117.5314 65.9445 31.7354 177.6033 53 K 4.0770 7.8868 119.2407 59.3173 31.5505 179.2133 54 V 3.3405 7.4961 114.4112 64.1646 30.9386 177.1090 *56 E 4.2761 8.0816 118.0601 55.9929 31.1867 176.9908 57 E 4.1301 8.0134 116.8567 58.1394 30.0120 176.4580 58 Q 4.1063 7.5622 123.8140 56.2090 29.0269 175.3122 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 0 G 8.34 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 S 8.41 4.42 0.00 4.02 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 7.82 3.65 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.59 0.00 4 F 7.03 4.85 0.00 3.13 3.01 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 5 Q 8.42 4.67 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 6 E 8.64 3.95 0.00 1.92 1.89 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 0.00 2.30 2.37 0.00 7 V 8.19 4.30 2.20 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 0.94 0.00 0.00 1.06 0.00 0.00 8 R 8.45 4.12 0.00 1.87 1.87 0.00 3.27 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 9 P 0.00 4.66 0.00 2.17 2.09 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 10 V 7.08 4.52 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 0.96 0.00 0.00 11 A 8.54 4.06 1.27 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 0.00 0.00 0.00 12 Q 8.54 4.59 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 2.57 2.30 0.00 13 A 8.39 4.21 1.22 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 0.00 0.00 0.00 0.00 0.00 14 L 8.61 3.73 0.00 1.39 1.45 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.06 4.91 0.00 3.02 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 16 P 0.00 4.62 0.00 2.04 2.08 0.00 3.90 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 17 T 7.98 4.59 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 1.22 0.00 0.00 18 H 8.35 5.03 0.00 3.20 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.49 0.00 2.07 2.14 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 20 S 7.46 4.67 0.00 4.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.47 3.90 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 22 K 7.55 3.86 0.00 2.06 1.88 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.52 7.81 23 D 8.37 4.62 0.00 2.90 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 3.84 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 25 L 8.16 4.12 0.00 1.98 1.94 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.28 3.95 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 27 E 8.48 4.04 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 28 A 8.34 4.20 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.43 3.55 0.00 1.48 1.87 0.00 2.82 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.43 0.00 30 L 7.62 4.06 0.00 1.85 1.69 0.97 0.82 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 31 L 7.49 4.13 0.00 2.01 1.65 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.96 4.57 0.00 3.24 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.12 2.11 0.00 3.22 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.83 0.00 34 G 8.05 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.17 4.22 4.31 0.00 0.00 0.00 0.00 0.00 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 37 H 8.78 4.14 0.00 3.16 3.44 0.00 5.94 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.28 4.27 0.00 3.21 3.38 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.17 4.55 0.00 2.96 2.74 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 40 F 8.25 4.14 0.00 3.20 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 R 7.85 4.02 0.00 1.78 2.03 0.00 3.27 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 43 A 7.96 3.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.67 4.14 0.00 1.26 1.43 0.73 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 *46 G 8.13 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.76 3.62 0.00 3.01 3.06 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 48 H 8.50 4.03 0.00 3.30 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.14 4.30 0.00 2.73 2.81 0.00 0.00 7.02 7.05 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 50 T 7.65 3.68 3.98 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 0.00 0.00 0.00 0.98 0.00 0.00 51 L 7.52 3.75 0.00 1.16 1.62 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.56 3.64 2.12 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 0.81 0.00 0.00 0.78 0.00 0.00 53 K 7.89 4.08 0.00 1.91 1.87 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 54 V 7.50 3.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.92 0.00 0.00 *56 E 8.08 4.28 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 57 E 8.01 4.13 0.00 2.03 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 0.00 2.32 2.33 0.00 58 Q 7.56 4.11 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.