NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9016 8.3549 109.7360 45.2176 0.0000 172.9868 2 K 4.2269 8.4284 121.2299 52.7533 33.2658 174.9435 3 K 4.4488 8.2838 123.4336 55.6041 35.4775 176.5443 4 S 4.6121 8.0849 116.0887 56.9870 66.3478 175.1270 5 K 3.9211 8.3839 121.3356 59.4183 31.7686 178.4204 6 A 3.9383 7.8818 120.5256 55.5949 18.4417 179.2675 7 T 3.7963 7.6613 113.8328 67.0216 68.5559 176.6188 8 K 3.9964 8.2322 121.1831 59.3332 32.1016 179.1160 9 K 4.0246 7.9225 118.7847 59.2808 31.8705 179.6383 10 R 3.8939 8.2658 118.5680 59.3717 30.0691 178.9703 11 L 3.9526 8.3079 118.9261 57.7072 41.6269 179.5440 12 A 3.9353 8.1118 120.5640 55.0545 18.3082 179.4716 13 K 3.8321 8.2128 118.2235 59.7676 32.0450 178.6909 14 L 4.0983 7.9003 118.0583 58.0728 41.8861 178.7972 15 D 4.4617 8.1329 117.8061 57.4068 41.0481 177.8660 16 N 4.3951 8.0996 117.4328 56.5090 38.7796 176.4174 17 Q 4.2294 8.2461 117.9227 57.3171 28.8698 176.7170 18 N 4.6891 7.6739 117.5417 52.8661 39.3823 174.6379 19 S 4.4912 7.0387 113.9447 57.8176 64.4212 173.9547 20 R 3.9728 8.0769 121.0527 55.6428 30.4492 176.2761 21 V 3.5374 8.1501 122.5875 61.8814 31.7242 173.8112 22 P 3.9924 0.0000 0.0000 62.6420 31.7217 176.5268 23 A 3.9564 8.9090 123.0653 55.4819 18.1248 180.2941 24 W 4.2778 8.1553 114.1379 59.5790 28.1907 178.4497 25 V 3.4551 6.9373 118.9496 65.8669 30.8091 177.8348 26 M 4.0391 7.6847 118.8290 58.2693 31.6921 178.7737 27 L 4.0181 7.8501 118.5713 57.7626 41.8345 179.3157 28 K 4.1558 8.4257 118.3880 58.5810 32.2137 177.7031 29 T 4.4333 7.6740 107.0319 60.2370 70.0898 173.4585 30 D 4.3067 8.5507 120.4106 55.6479 39.1338 170.6377 31 R 3.5269 7.7730 122.4200 55.6747 30.8511 177.3799 *35 R 3.8197 8.2520 119.1198 56.2831 30.1686 174.3986 36 N 4.5330 7.9284 121.8712 52.1830 37.8554 174.9819 37 H 4.4818 8.2813 118.3165 56.1700 28.2606 176.0709 38 K 4.6742 8.1100 117.0918 55.9771 33.3875 176.6385 39 R 4.0286 8.1251 118.5766 56.2418 30.3980 176.2043 40 R 4.5103 8.3418 122.0411 54.7217 33.0311 173.7122 41 H 4.7889 8.5681 124.8086 54.3324 31.2109 175.8343 42 W 4.2366 8.2773 121.9708 58.8708 28.3335 176.9929 43 R 3.9381 6.5679 117.7157 58.0026 30.2373 177.2955 44 R 3.8804 7.7836 115.3494 58.7126 30.2193 176.5574 45 N 4.8623 7.5028 113.5732 51.9098 40.7676 173.3485 46 D 4.7046 8.2031 116.7491 53.4308 44.1934 174.6449 47 T 4.5615 8.1359 115.2943 59.8657 71.3309 173.1856 48 D 4.5758 8.2704 121.5612 54.6067 41.9889 176.6051 49 E 4.1144 8.6176 118.4789 57.1224 29.1283 174.7925 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 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.23 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.43 7.81 3 K 8.28 4.45 0.00 1.85 1.79 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.40 7.81 4 S 8.08 4.61 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 8.38 3.92 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 7.88 3.94 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 7.66 3.80 4.48 0.00 0.00 0.00 0.00 0.00 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 8.23 4.00 0.00 1.94 1.99 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 1.43 1.47 7.81 9 K 7.92 4.02 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 2.93 0.00 0.00 0.00 0.00 1.46 1.71 7.81 10 R 8.27 3.89 0.00 2.01 1.98 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 11 L 8.31 3.95 0.00 1.66 1.73 0.92 0.79 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 12 A 8.11 3.94 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.21 3.83 0.00 1.83 1.98 0.00 1.66 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 1.50 7.81 14 L 7.90 4.10 0.00 1.86 1.75 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.13 4.46 0.00 2.81 2.88 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 16 N 8.10 4.40 0.00 2.87 2.88 0.00 0.00 7.24 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 8.25 4.23 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 18 N 7.67 4.69 0.00 3.00 2.87 0.00 0.00 7.15 7.61 0.00 0.00 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 7.04 4.49 0.00 3.96 3.85 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 20 R 8.08 3.97 0.00 1.77 1.83 0.00 3.21 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 21 V 8.15 3.54 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 0.70 0.00 0.00 0.86 0.00 0.00 22 P 0.00 3.99 0.00 1.28 2.00 0.00 3.52 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.61 0.00 23 A 8.91 3.96 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 8.16 4.28 0.00 3.56 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 6.94 3.46 1.79 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 0.84 0.00 0.00 -0.31 0.00 0.00 26 M 7.68 4.04 0.00 2.00 2.17 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 2.58 2.70 0.00 27 L 7.85 4.02 0.00 1.92 1.77 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.43 4.16 0.00 2.08 2.05 0.00 2.00 0.00 0.00 2.08 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.55 7.81 29 T 7.67 4.43 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 30 D 8.55 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 R 7.77 3.53 0.00 1.97 1.91 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 8.25 3.82 0.00 1.74 1.66 0.00 3.23 0.00 0.00 3.30 7.25 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 7.93 4.53 0.00 2.72 2.66 0.00 0.00 7.11 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 8.28 4.48 0.00 3.16 3.30 0.00 5.89 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.11 4.67 0.00 1.85 1.74 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 39 R 8.13 4.03 0.00 1.79 1.87 0.00 3.13 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 1.62 1.84 0.00 40 R 8.34 4.51 0.00 1.71 1.77 0.00 3.25 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 41 H 8.57 4.79 0.00 3.16 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 4.24 0.00 3.50 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 43 R 6.57 3.94 0.00 0.67 1.36 0.00 2.53 0.00 0.00 2.90 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.00 44 R 7.78 3.88 0.00 1.73 1.90 0.00 3.31 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 45 N 7.50 4.86 0.00 2.93 2.78 0.00 0.00 6.75 8.43 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 46 D 8.20 4.70 0.00 2.57 2.47 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 0.00 47 T 8.14 4.56 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 8.27 4.58 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.11 0.00 2.15 2.01 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 2.19 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.