NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8796 8.2085 109.7373 45.3183 0.0000 175.5698 2 A 3.8697 8.0150 121.3458 54.0534 18.2614 177.8930 3 G 3.7218 8.9840 105.1067 48.4125 0.0000 174.1786 4 S 4.2043 8.0531 117.1645 60.9922 62.8571 176.5222 5 R 3.8784 7.8935 121.5292 59.6686 29.9078 178.8729 6 V 3.6933 7.6172 117.9334 66.2002 31.3932 178.1582 7 T 3.9434 7.7297 115.8097 66.3350 68.2893 176.4992 8 F 3.9222 8.4843 122.7346 61.1993 39.3967 176.6650 9 E 4.0922 8.4459 118.9603 59.5572 29.3848 179.0492 10 R 3.9055 8.1200 117.9591 59.2712 30.1166 179.3105 11 V 3.5012 7.9654 118.2040 65.7328 31.5880 177.4860 12 E 3.8022 8.0295 119.1103 59.6211 29.4507 178.9917 13 Q 4.0185 8.2964 117.9611 59.1661 28.6910 178.5405 14 M 4.0805 8.2527 120.1602 58.4109 32.0172 178.9440 15 S 4.1392 8.1131 114.3916 61.1189 63.3485 176.3774 16 I 3.6587 7.6275 123.2999 64.6479 36.9082 178.4074 17 Q 4.0733 8.1883 118.3945 58.7762 28.4976 178.7782 18 I 3.7962 7.9918 121.3178 63.8960 37.0365 178.3126 19 K 4.0041 8.1710 123.0767 60.0972 31.9894 179.2767 20 E 3.9644 8.1348 118.6502 61.1028 29.6042 181.0979 21 V 3.8618 7.8942 119.4642 65.9547 31.5622 177.7952 22 G 3.8332 8.0623 105.1695 48.3729 0.0000 174.7588 23 D 4.4517 8.3984 121.5061 57.0580 41.0324 179.6543 24 R 4.0078 8.3419 118.4652 59.4088 30.0167 179.3963 25 V 3.6662 7.9809 117.9746 65.9269 31.5833 177.7012 26 N 4.3206 8.6074 116.8116 56.4778 38.2914 176.6496 27 Y 4.2730 8.2487 120.7792 60.8263 38.8673 178.1171 28 I 3.4576 7.8905 120.6690 64.1524 37.2407 177.9686 29 K 3.7827 8.1798 120.5583 59.9393 31.9351 178.9089 30 R 3.9349 7.8783 117.7376 59.3436 29.9822 179.2683 31 S 3.9956 8.0981 115.2392 61.5240 62.6604 176.7857 32 L 3.9992 8.2909 122.1236 57.7024 41.2032 179.5981 33 Q 3.9590 8.1863 118.1767 58.9619 28.6529 178.7351 34 S 4.1022 8.0098 116.2342 61.5975 62.7920 176.6622 35 L 3.9309 7.8276 122.8219 58.1642 41.8808 178.4268 36 D 4.2880 8.3690 118.3031 57.3897 41.0960 178.3643 37 S 4.0938 8.3214 116.0083 61.7056 62.9713 176.6358 38 Q 4.0677 8.1126 120.5905 59.2441 28.4123 179.1544 39 I 3.8730 8.1859 121.0855 64.1608 37.0498 178.7682 40 G 3.5293 8.1623 106.8390 48.0747 0.0000 175.5504 41 H 4.2584 7.9986 118.1623 58.4589 28.6690 177.7297 42 L 3.9783 7.9379 121.9995 58.1308 41.9692 178.8340 43 Q 4.0259 8.3209 118.2804 59.2308 28.5790 178.7873 44 D 4.3840 8.2212 119.7402 57.1800 40.7589 178.7018 45 L 3.9163 7.9504 120.8597 58.1022 42.1767 178.7463 46 S 4.0455 8.5165 113.3133 61.5020 62.2485 176.0305 47 A 3.9964 8.5084 123.6722 55.1096 17.8807 179.3690 48 L 3.9244 7.9873 118.1057 58.5256 42.0354 179.0762 49 T 4.0138 8.2112 116.0365 66.4039 68.3726 176.7882 50 V 3.5818 7.8617 120.1529 66.2441 31.3974 177.4241 51 D 4.3609 8.1785 116.5544 57.5469 41.0022 177.6200 52 T 4.1943 7.5123 111.0782 63.1357 66.7677 175.3993 53 L 4.5593 7.7566 119.3526 55.2362 42.7749 178.2438 54 K 4.1862 8.3146 120.3523 59.7367 32.0307 177.1700 *55 T 4.2377 7.2730 114.6939 60.8136 69.4341 175.3844 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 8.21 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 2 A 8.02 3.87 1.36 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 0.00 0.00 3 G 8.98 3.72 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 0.00 0.00 0.00 4 S 8.05 4.20 0.00 3.97 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 0.00 5 R 7.89 3.88 0.00 1.93 2.09 0.00 3.08 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 6 V 7.62 3.69 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 1.00 0.00 0.00 0.99 0.00 0.00 7 T 7.73 3.94 4.50 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 1.23 0.00 0.00 8 F 8.48 3.92 0.00 3.29 3.19 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 0.00 9 E 8.45 4.09 0.00 2.24 2.16 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 2.35 2.45 0.00 10 R 8.12 3.91 0.00 2.06 1.96 0.00 3.19 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 11 V 7.97 3.50 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.91 0.00 0.00 12 E 8.03 3.80 0.00 2.20 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 0.00 2.37 2.41 0.00 13 Q 8.30 4.02 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 14 M 8.25 4.08 0.00 2.03 2.22 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 2.78 2.54 0.00 15 S 8.11 4.14 0.00 4.03 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 16 I 7.63 3.66 2.00 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 1.52 0.64 0.91 0.00 0.00 17 Q 8.19 4.07 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 18 I 7.99 3.80 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.90 0.00 0.00 19 K 8.17 4.00 0.00 1.94 1.95 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.32 7.81 20 E 8.13 3.96 0.00 2.03 1.95 0.00 0.00 0.00 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 2.20 0.00 21 V 7.89 3.86 2.25 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 0.95 0.00 0.00 0.96 0.00 0.00 22 G 8.06 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 23 D 8.40 4.45 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.34 4.01 0.00 2.11 2.03 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 25 V 7.98 3.67 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 1.12 0.00 0.00 0.97 0.00 0.00 26 N 8.61 4.32 0.00 2.97 2.90 0.00 0.00 6.63 7.04 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 27 Y 8.25 4.27 0.00 2.93 3.18 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 0.00 28 I 7.89 3.46 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 0.87 0.00 0.00 29 K 8.18 3.78 0.00 1.90 2.09 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.38 7.81 30 R 7.88 3.93 0.00 2.09 1.97 0.00 3.22 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 31 S 8.10 4.00 0.00 3.72 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 32 L 8.29 4.00 0.00 1.77 1.68 0.89 0.96 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 33 Q 8.19 3.96 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 34 S 8.01 4.10 0.00 4.04 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 35 L 7.83 3.93 0.00 1.75 1.79 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.37 4.29 0.00 2.79 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 37 S 8.32 4.09 0.00 4.09 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 38 Q 8.11 4.07 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 39 I 8.19 3.87 1.97 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 1.45 0.83 0.90 0.00 0.00 40 G 8.16 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.00 4.26 0.00 3.33 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.94 3.98 0.00 1.81 1.82 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.32 4.03 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 44 D 8.22 4.38 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.95 3.92 0.00 1.87 1.80 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.52 4.05 0.00 3.91 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 47 A 8.51 4.00 1.37 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 48 L 7.99 3.92 0.00 1.62 1.93 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.21 4.01 4.36 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 1.21 0.00 0.00 50 V 7.86 3.58 2.30 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 0.99 0.00 0.00 0.95 0.00 0.00 51 D 8.18 4.36 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 4.19 4.52 0.00 0.00 0.00 0.00 0.00 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 53 L 7.76 4.56 0.00 1.72 1.66 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.31 4.19 0.00 2.14 1.90 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.45 1.10 7.81 *55 T 7.27 4.24 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.