NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4363 8.1476 120.3532 53.7335 34.0273 175.3063 2 K 4.4362 7.6275 119.7621 55.0782 33.3450 172.7627 3 P 4.3228 0.0000 0.0000 65.6649 32.3466 178.4287 4 V 4.3373 7.2573 114.9368 60.3981 34.8234 173.5363 5 T 4.0194 8.5444 117.2157 62.0740 68.3845 174.7471 6 L 3.8757 8.4508 128.8435 58.1082 41.6707 178.6751 7 Y 3.9887 7.7315 116.3674 60.9532 37.7009 177.9167 8 D 4.3572 8.7798 119.2378 57.4083 41.2779 178.4723 9 V 3.5050 7.7016 117.8430 65.8886 31.4496 177.4087 10 A 3.9878 8.0615 120.4242 55.3695 18.1505 179.3133 11 E 3.9354 8.6638 118.0749 59.6702 29.5533 178.3842 12 Y 4.1264 8.1284 118.2898 60.2800 38.9637 176.9293 13 A 4.4354 8.4210 119.8133 51.7871 19.0220 177.7485 14 G 3.8845 7.7448 105.0816 45.9175 0.0000 173.7748 15 V 4.4249 7.9544 118.9006 58.6388 33.8667 175.4559 16 S 4.0477 8.7557 116.7483 58.9114 63.0344 174.6174 17 Y 4.1083 9.0611 125.4921 60.9410 39.1143 177.8447 18 Q 3.7614 8.4544 120.1333 59.3827 28.7569 178.7061 19 T 3.8057 7.6788 110.2629 64.8535 68.7507 176.4175 20 V 3.4398 7.1837 121.8997 65.5680 31.7693 178.2942 21 S 4.0301 7.3171 114.0536 61.2348 62.5614 176.8013 22 R 3.9350 7.3369 120.2465 59.1249 29.7098 179.1134 23 V 3.5257 7.9756 118.3781 65.8668 31.2778 177.9742 24 V 3.6473 7.5305 116.7941 66.0893 31.3796 176.9354 25 N 4.8718 7.3786 111.4852 52.5936 38.5432 175.4387 26 Q 3.4088 7.7197 117.2126 56.5672 27.0580 173.9841 27 A 3.6910 8.9165 119.4803 53.5283 16.7344 179.2581 28 S 3.7885 8.4692 121.4899 60.8965 63.3011 172.3199 29 H 4.8604 7.8554 117.1183 53.2549 31.4876 173.0401 30 V 4.5587 8.1352 123.1596 59.0127 34.5440 175.4698 31 S 4.0995 8.5531 115.7386 58.4552 63.5849 174.5060 32 A 3.9770 8.9812 127.2447 55.5606 17.7447 179.4463 33 K 3.8682 8.2221 116.0509 60.2115 32.1543 179.3178 34 T 3.8888 7.7019 115.6405 66.7631 68.4359 176.8022 35 R 3.9440 7.9464 119.3237 59.4290 30.1642 178.7543 36 E 4.1680 8.2813 118.2749 59.2054 29.4015 179.4971 37 K 3.9473 7.7999 119.2492 59.3254 32.2941 179.1049 38 V 3.6028 7.6283 118.0635 66.0966 31.0089 177.6568 39 E 3.9709 8.7882 118.3982 59.3993 29.0842 179.3268 40 A 4.0133 8.0505 120.2738 55.2648 18.6330 179.3563 41 A 4.1273 8.1500 119.2299 55.6627 18.3769 179.7034 42 M 4.0510 8.4296 117.0519 58.6995 32.1617 178.8833 43 A 4.0240 7.6745 119.5797 55.3011 18.3288 179.5673 44 E 4.0015 7.7153 114.7679 58.6854 29.4692 178.4559 45 L 4.4333 7.4160 117.0598 53.5258 42.2229 176.0280 46 N 4.1785 7.5757 113.3828 53.8413 36.6380 173.2759 47 Y 4.4930 7.7473 117.9817 56.6908 40.5904 174.8121 48 I 4.2134 5.4200 123.5297 60.3084 39.6982 176.1846 49 P 3.9443 0.0000 0.0000 64.4289 32.1805 177.3497 50 N 5.0538 7.4382 115.4595 53.1972 39.1939 176.7503 51 R 4.3093 7.5858 117.7758 54.9670 28.8694 177.2667 52 V 3.9558 7.5619 114.6553 60.4998 33.0461 177.5228 53 A 4.5376 8.0636 124.2633 51.1336 15.9096 177.3563 54 Q 4.4301 7.3760 117.6683 53.9880 31.1011 173.2186 55 Q 4.4113 8.5163 125.4131 57.1826 34.4082 175.2986 *56 L 4.1328 8.1889 123.2066 53.8077 41.6514 178.0529 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 M 8.15 4.44 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 2 K 7.63 4.44 0.00 2.31 2.07 0.00 1.78 0.00 0.00 2.16 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.79 7.81 3 P 0.00 4.32 0.00 2.06 2.17 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 4 V 7.26 4.34 2.29 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 0.70 0.00 0.00 1.04 0.00 0.00 5 T 8.54 4.02 4.38 0.00 0.00 0.00 0.00 0.00 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 6 L 8.45 3.88 0.00 1.60 1.70 0.97 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.73 3.99 0.00 3.04 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.78 4.36 0.00 2.68 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 9 V 7.70 3.50 1.99 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 0.97 0.00 0.00 0.62 0.00 0.00 10 A 8.06 3.99 1.50 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 0.00 0.00 11 E 8.66 3.94 0.00 2.32 2.05 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 2.37 2.52 0.00 12 Y 8.13 4.13 0.00 3.05 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 4.44 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 14 G 7.74 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 0.00 0.00 0.00 15 V 7.95 4.42 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 16 S 8.76 4.05 0.00 4.06 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 17 Y 9.06 4.11 0.00 2.98 3.12 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 0.00 0.00 0.00 0.00 18 Q 8.45 3.76 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 19 T 7.68 3.81 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 20 V 7.18 3.44 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 0.87 0.00 0.00 0.88 0.00 0.00 21 S 7.32 4.03 0.00 3.45 3.76 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 22 R 7.34 3.93 0.00 2.19 1.91 0.00 3.15 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 23 V 7.98 3.53 2.21 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 1.07 0.00 0.00 0.92 0.00 0.00 24 V 7.53 3.65 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 1.06 0.00 0.00 0.95 0.00 0.00 25 N 7.38 4.87 0.00 2.77 2.80 0.00 0.00 7.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.72 3.41 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 27 A 8.92 3.69 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.47 3.79 0.00 4.00 3.99 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 29 H 7.86 4.86 0.00 3.07 3.17 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.14 4.56 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 0.84 0.00 0.00 0.91 0.00 0.00 31 S 8.55 4.10 0.00 4.02 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 32 A 8.98 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 3.87 0.00 1.85 1.91 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.63 7.81 34 T 7.70 3.89 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 1.19 0.00 0.00 35 R 7.95 3.94 0.00 2.07 2.09 0.00 3.14 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 36 E 8.28 4.17 0.00 2.30 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 2.34 2.38 0.00 37 K 7.80 3.95 0.00 1.84 1.98 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 V 7.63 3.60 2.22 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 1.06 0.00 0.00 1.00 0.00 0.00 39 E 8.79 3.97 0.00 2.22 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 2.36 2.48 0.00 40 A 8.05 4.01 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.15 4.13 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.43 4.05 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.67 0.00 43 A 7.67 4.02 1.34 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 0.00 0.00 44 E 7.72 4.00 0.00 2.05 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 2.39 2.51 0.00 45 L 7.42 4.43 0.00 1.60 1.66 0.61 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.58 4.18 0.00 2.97 2.95 0.00 0.00 6.69 8.20 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 47 Y 7.75 4.49 0.00 2.96 3.02 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 48 I 5.42 4.21 1.55 0.00 0.00 0.78 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 0.95 0.74 0.00 0.00 49 P 0.00 3.94 0.00 2.04 2.09 0.00 3.54 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 50 N 7.44 5.05 0.00 2.77 2.74 0.00 0.00 7.38 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.59 4.31 0.00 1.91 1.94 0.00 3.24 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.38 0.00 52 V 7.56 3.96 2.11 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 0.75 0.00 0.00 1.03 0.00 0.00 53 A 8.06 4.54 1.29 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 0.00 0.00 0.00 54 Q 7.38 4.43 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 55 Q 8.52 4.41 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 *56 L 8.19 4.13 0.00 1.43 1.53 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.