NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7890 8.3501 109.7332 45.5770 0.0000 172.8568 3 A 4.6931 7.9607 127.6677 48.5585 21.8740 174.0371 4 Q 4.5583 8.8739 116.8967 54.3245 32.0682 173.0924 5 V 4.6614 8.2544 121.9836 61.0816 34.0196 174.3835 6 S 4.6995 7.7985 121.1606 56.8116 67.0770 173.0752 7 T 4.8171 8.3402 110.0494 61.5221 69.7355 174.4811 8 Q 4.6280 8.6618 122.1769 54.7832 30.3620 175.7700 9 K 4.1601 8.4800 122.5482 56.2276 32.9044 176.6799 10 T 4.0154 8.6250 121.3370 62.0611 67.7726 173.4360 11 G 4.3710 7.8273 117.3043 45.0685 0.0000 174.2227 12 A 3.8747 7.3671 123.9370 53.3606 17.8535 176.9461 13 H 4.5763 9.1150 116.7653 56.9154 33.2451 175.3074 14 E 4.1169 8.4093 126.1091 56.5007 28.6657 178.5332 *23 S 4.4066 8.2512 114.1031 58.4607 64.6304 174.5323 24 I 4.2560 7.6509 118.7285 60.5658 37.1550 175.7364 25 I 4.6003 7.2404 114.4685 60.5940 38.1038 174.3612 26 H 5.6012 7.7838 114.4486 55.7424 31.8890 171.4511 27 Y 5.1804 8.8377 116.6475 55.4306 41.6176 174.2177 28 T 4.8292 8.6429 109.3257 59.9941 71.7903 172.7866 29 N 5.1916 9.1403 121.2614 52.1410 42.9656 173.0227 30 I 4.8161 8.0127 123.9757 59.5363 41.0668 174.4413 31 N 4.4009 8.5385 123.6500 52.4925 39.4284 174.6968 32 Y 4.4995 8.1784 119.3102 57.9876 39.0726 175.0051 33 Y 4.7338 7.6291 116.8049 56.0334 40.4814 175.8798 34 K 4.2881 8.6904 119.9677 57.5121 33.0061 176.8624 35 D 5.0017 7.8332 119.1743 51.8967 43.5357 176.9964 36 A 4.0145 8.6722 125.6701 55.0273 18.7063 179.5415 37 A 4.0343 8.0083 117.9185 55.3806 18.5452 178.9855 38 S 4.1293 7.9122 111.0708 60.9485 63.0622 174.6493 39 N 4.5337 7.7767 117.6100 52.8014 38.7342 174.5915 40 S 4.3880 8.2436 114.7781 57.4153 64.1755 173.6669 41 A 4.2205 8.1724 123.1921 52.4001 18.8777 177.9837 42 N 4.6976 8.2132 118.7525 52.3325 37.0037 175.7601 43 R 4.2682 7.7972 115.9972 56.9862 31.0381 177.3400 44 Q 3.8207 7.6395 115.6644 55.1949 29.5715 174.6770 45 D 4.2969 7.5492 118.7974 53.4711 42.0579 176.4821 46 F 5.2565 8.0707 126.2583 56.9088 39.3481 173.9010 47 T 4.3685 7.4405 116.0636 63.4084 70.2589 174.4533 48 Q 4.5928 8.1009 118.8242 56.5755 31.9459 173.9231 49 D 4.8268 7.9082 122.4566 52.5220 42.3791 173.4142 50 P 4.5777 0.0000 0.0000 65.2143 32.3327 179.1871 51 G 3.9570 8.3132 107.0584 48.6880 0.0000 175.2438 52 K 3.4761 6.9758 117.5003 58.5663 32.1877 177.5444 53 F 4.7090 7.9331 115.6793 58.9997 40.4291 177.0657 54 T 4.3599 7.5911 109.0330 57.5536 67.0333 172.5673 55 E 4.3725 7.9649 128.3377 56.5322 30.8660 173.8744 56 P 4.6062 0.0000 0.0000 62.6861 31.9304 176.0389 57 V 4.2807 7.5039 111.7856 60.5160 33.3398 176.6209 58 K 4.1057 8.3441 123.6186 57.6104 33.4616 173.7310 59 D 4.3397 8.5720 123.4870 53.7229 36.7667 172.8918 60 I 3.5289 8.0429 122.5851 61.8818 36.0373 176.1748 61 M 4.3129 8.5050 126.0586 53.9617 31.3113 177.3066 62 V 3.4845 8.5906 124.6349 64.7189 31.9722 177.3769 63 K 4.0553 7.0226 110.3759 57.1745 28.2800 173.2401 64 S 5.0515 7.5049 126.7787 58.0052 64.1685 177.7048 65 L 4.7046 7.6040 120.4749 52.0527 43.9892 174.3888 66 P 4.2119 0.0000 0.0000 64.9017 31.1513 177.9278 67 A 4.1698 9.1174 118.3488 51.8618 17.7750 177.1368 68 L 4.6690 6.5820 115.1774 53.3656 42.8313 176.0596 69 N 4.6788 9.1527 126.4557 54.6749 38.0672 173.6280 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 2 G 8.35 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 3 A 7.96 4.69 1.25 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 0.00 0.00 0.00 4 Q 8.87 4.56 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.13 0.00 5 V 8.25 4.66 1.91 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 0.57 0.00 0.00 0.81 0.00 0.00 6 S 7.80 4.70 0.00 3.72 3.70 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 7 T 8.34 4.82 4.32 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 1.26 0.00 0.00 8 Q 8.66 4.63 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 9 K 8.48 4.16 0.00 1.78 1.76 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.53 7.81 10 T 8.62 4.02 4.28 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 1.23 0.00 0.00 11 G 7.83 4.37 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 0.00 12 A 7.37 3.87 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 13 H 9.11 4.58 0.00 3.08 3.11 0.00 5.77 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 14 E 8.41 4.12 0.00 1.84 1.90 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 2.26 2.20 0.00 *23 S 8.25 4.41 0.00 3.97 4.02 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 0.00 0.00 0.00 24 I 7.65 4.26 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.56 0.91 0.00 0.00 25 I 7.24 4.60 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 0.93 0.00 0.00 26 H 7.78 5.60 0.00 3.22 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.84 5.18 0.00 3.12 3.05 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 28 T 8.64 4.83 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 1.23 0.00 0.00 29 N 9.14 5.19 0.00 2.92 2.64 0.00 0.00 7.03 7.70 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 30 I 8.01 4.82 1.71 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.80 0.00 0.00 31 N 8.54 4.40 0.00 2.62 2.71 0.00 0.00 6.94 7.46 0.00 0.00 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 Y 8.18 4.50 0.00 2.34 2.61 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 0.00 0.00 0.00 0.00 33 Y 7.63 4.73 0.00 3.02 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 34 K 8.69 4.29 0.00 1.81 1.89 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.48 7.81 35 D 7.83 5.00 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.67 4.01 1.31 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 0.00 0.00 0.00 37 A 8.01 4.03 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 38 S 7.91 4.13 0.00 4.01 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.78 4.53 0.00 2.79 2.77 0.00 0.00 7.01 7.18 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 40 S 8.24 4.39 0.00 3.98 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 41 A 8.17 4.22 1.26 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 0.00 0.00 0.00 42 N 8.21 4.70 0.00 2.70 2.75 0.00 0.00 6.98 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 43 R 7.80 4.27 0.00 1.82 2.02 0.00 3.17 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 44 Q 7.64 3.82 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 45 D 7.55 4.30 0.00 2.51 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 46 F 8.07 5.26 0.00 3.07 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 47 T 7.44 4.37 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 1.25 0.00 0.00 48 Q 8.10 4.59 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.24 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 49 D 7.91 4.83 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.58 0.00 2.27 2.17 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 51 G 8.31 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 6.98 3.48 0.00 0.79 1.11 0.00 1.42 0.00 0.00 1.48 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 1.28 7.81 53 F 7.93 4.71 0.00 3.03 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 54 T 7.59 4.36 4.28 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 1.29 0.00 0.00 55 E 7.96 4.37 0.00 2.03 2.23 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 2.09 2.08 0.00 56 P 0.00 4.61 0.00 2.19 2.29 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 57 V 7.50 4.28 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 0.77 0.00 0.00 0.93 0.00 0.00 58 K 8.34 4.11 0.00 1.85 1.80 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.45 7.81 59 D 8.57 4.34 0.00 2.86 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.04 3.53 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.46 0.91 0.00 0.00 61 M 8.50 4.31 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 62 V 8.59 3.48 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 0.79 0.00 0.00 0.93 0.00 0.00 63 K 7.02 4.06 0.00 1.87 2.08 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.52 7.81 64 S 7.50 5.05 0.00 3.96 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 65 L 7.60 4.70 0.00 1.62 1.62 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.21 0.00 2.03 2.13 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 67 A 9.12 4.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 6.58 4.67 0.00 1.58 0.78 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 69 N 9.15 4.68 0.00 2.90 2.89 0.00 0.00 6.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.