NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2708 8.4444 118.7941 56.3365 30.6389 174.9043 2 T 3.8684 8.1622 112.1686 61.0296 68.2767 174.2018 3 D 4.4625 9.4461 127.0390 56.8867 42.2443 177.9383 4 I 3.7499 7.5865 120.6297 64.9072 36.9241 177.1613 5 C 4.7421 8.3192 115.1795 58.5770 40.1552 174.4145 6 K 4.4116 7.7442 118.6036 55.9558 32.4020 176.8680 7 L 4.1992 7.5182 119.7977 53.7325 42.1035 175.3892 8 P 4.3624 0.0000 0.0000 61.9543 31.9995 176.1657 9 K 2.9175 8.1048 120.8637 56.7803 31.8069 175.8731 10 D 4.5732 7.6159 124.1208 52.1657 42.4502 175.4659 11 E 4.6768 8.2709 126.6482 56.7690 30.3254 178.8401 12 G 4.3022 8.4156 107.4349 45.5989 0.0000 171.1059 13 T 4.4206 7.8710 109.0437 61.1966 71.6420 173.0743 14 C 4.1751 8.6679 116.2630 57.1761 38.6222 173.0623 15 R 3.5780 7.8029 116.1308 55.8453 30.8197 176.8444 16 D 4.7120 7.3436 119.2870 52.9998 38.8382 175.9910 17 F 4.7417 7.9391 118.2345 57.3867 40.4416 175.8176 18 I 4.8249 9.0094 123.4468 59.3517 41.3900 174.2670 19 L 3.8001 8.3921 128.7145 54.5397 42.4974 175.6958 20 K 4.7845 8.3335 125.5570 54.2690 36.3549 174.7547 21 W 5.6342 9.4092 120.1299 55.3871 32.6967 174.7788 22 Y 5.6298 9.3605 120.5967 55.4677 41.7223 173.4699 23 Y 4.5017 9.7472 122.8850 57.0901 40.6532 173.6224 24 D 4.7217 8.1606 127.7290 51.8763 41.8401 175.1885 25 P 4.1836 0.0000 0.0000 64.8096 31.6932 177.3674 26 N 4.4925 8.5855 117.0761 55.2352 38.6536 175.8413 27 T 4.2708 7.8018 105.3581 60.3625 70.1768 174.0111 28 K 3.9732 7.6059 120.7825 55.5145 30.3297 173.9929 29 S 4.8614 6.7759 110.1045 57.6749 66.6580 174.8027 30 C 5.1978 9.2984 118.6195 56.2165 41.3842 173.0760 31 A 5.0304 8.6643 122.5988 50.2564 22.7339 175.7292 32 R 4.0741 8.1358 117.9702 55.9962 31.2450 176.0637 33 F 4.9498 8.6948 115.6195 55.6256 41.9228 172.9131 34 W 4.9064 8.9452 120.2213 55.9894 30.8003 174.4200 35 Y 5.1558 9.0350 127.0866 56.0529 39.9253 176.5417 36 G 2.9945 8.2279 113.7822 46.2584 0.0000 174.9913 37 G 3.8086 6.2220 106.5448 45.2918 0.0000 174.3001 38 C 4.9175 7.4210 116.6349 56.3155 44.0957 174.6633 39 G 4.1336 9.0792 109.5342 46.2780 0.0000 174.5235 40 G 4.0640 8.0849 109.2845 44.0425 0.0000 171.7484 41 N 5.0428 8.0985 116.0360 51.2285 40.3698 173.5964 42 E 4.1464 8.5444 115.4806 57.1015 29.9509 177.3526 43 N 4.7392 8.0460 120.2744 51.1537 36.9044 173.1821 44 K 4.8191 6.7583 118.4621 55.5237 35.3207 174.3018 45 F 5.0173 9.6587 126.2228 55.7484 43.0827 176.4075 46 G 3.8264 9.1787 109.5199 47.4624 0.0000 174.3968 47 S 4.6442 7.7059 113.8308 55.6836 67.3208 174.5772 48 Q 2.7442 7.0374 123.2486 58.6071 28.5527 178.3846 49 K 3.6754 7.4348 120.1826 59.3431 32.2747 178.2673 50 E 3.7768 7.9540 119.5820 59.2448 29.5792 177.7105 51 C 2.4500 7.6579 118.4853 59.2918 44.1671 175.5456 52 E 3.7514 8.0977 120.2344 59.1676 28.7843 179.3833 53 K 3.7926 7.6752 117.4843 59.5850 32.2190 179.2801 54 V 3.6820 7.4571 116.9922 65.3013 31.5558 175.9180 55 C 4.4061 7.7402 113.1655 56.6687 42.1754 174.3333 56 A 4.2956 7.5832 122.3979 50.7047 18.7206 175.7714 57 P 4.2764 0.0000 0.0000 66.0903 31.7130 177.6923 *58 V 3.9225 7.6149 119.3536 60.5015 31.6959 177.4423 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 E 8.44 4.27 0.00 2.03 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 2.07 2.14 0.00 2 T 8.16 3.87 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 1.22 0.00 0.00 3 D 9.45 4.46 0.00 2.77 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 4 I 7.59 3.75 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.91 0.00 0.00 5 C 8.32 4.74 0.00 3.08 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.74 4.41 0.00 2.23 1.90 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.48 7.81 7 L 7.52 4.20 0.00 1.78 1.60 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.36 0.00 2.08 2.01 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 9 K 8.10 2.92 0.00 0.79 1.19 0.00 1.53 0.00 0.00 1.18 0.00 0.00 2.69 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.71 0.21 7.81 10 D 7.62 4.57 0.00 2.64 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.27 4.68 0.00 2.22 2.24 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 2.94 2.42 0.00 12 G 8.42 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.87 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 1.22 0.00 0.00 14 C 8.67 4.18 0.00 3.03 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 15 R 7.80 3.58 0.00 1.55 1.90 0.00 3.57 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 16 D 7.34 4.71 0.00 2.45 2.51 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 0.00 0.00 0.00 0.00 17 F 7.94 4.74 0.00 3.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 9.01 4.82 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.92 0.92 0.00 0.00 19 L 8.39 3.80 0.00 0.67 1.16 -0.52 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.33 4.78 0.00 0.79 1.64 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.28 7.81 21 W 9.41 5.63 0.00 3.44 3.23 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 0.00 22 Y 9.36 5.63 0.00 3.16 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 9.75 4.50 0.00 3.08 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 24 D 8.16 4.72 0.00 2.39 2.36 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 P 0.00 4.18 0.00 2.26 2.32 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 26 N 8.59 4.49 0.00 2.81 2.89 0.00 0.00 6.85 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.80 4.27 4.18 0.00 0.00 0.00 0.00 0.00 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 28 K 7.61 3.97 0.00 1.93 2.00 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.39 7.81 29 S 6.78 4.86 0.00 3.83 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 30 C 9.30 5.20 0.00 2.85 3.24 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 0.00 31 A 8.66 5.03 1.05 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 0.00 0.00 32 R 8.14 4.07 0.00 1.27 1.24 0.00 2.82 0.00 0.00 2.70 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 33 F 8.69 4.95 0.00 3.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.95 4.91 0.00 3.40 3.27 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 35 Y 9.03 5.16 0.00 2.71 2.84 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 36 G 8.23 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.22 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.42 4.92 0.00 2.97 2.89 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 0.00 0.00 0.00 39 G 9.08 4.13 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 0.00 0.00 0.00 40 G 8.08 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 0.00 0.00 0.00 41 N 8.10 5.04 0.00 2.73 2.77 0.00 0.00 5.90 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 42 E 8.54 4.15 0.00 1.93 1.92 0.00 0.00 0.00 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 2.23 0.00 43 N 8.05 4.74 0.00 3.01 2.90 0.00 0.00 6.85 6.07 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 44 K 6.76 4.82 0.00 1.78 1.46 0.00 1.21 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.18 1.46 7.81 45 F 9.66 5.02 0.00 3.19 2.94 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 46 G 9.18 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 47 S 7.71 4.64 0.00 3.84 3.89 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 0.00 0.00 0.00 48 Q 7.04 2.74 0.00 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 49 K 7.43 3.68 0.00 1.68 1.63 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.38 7.81 50 E 7.95 3.78 0.00 2.12 1.94 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 2.47 2.47 0.00 51 C 7.66 2.45 0.00 2.76 2.94 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 52 E 8.10 3.75 0.00 1.95 1.85 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 2.25 2.33 0.00 53 K 7.68 3.79 0.00 1.75 1.79 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.56 7.81 54 V 7.46 3.68 1.84 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 0.95 0.00 0.00 1.05 0.00 0.00 55 C 7.74 4.41 0.00 2.56 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.58 4.30 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.28 0.00 2.18 2.21 0.00 3.56 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 *58 V 7.61 3.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.