NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3276 8.1849 120.6289 53.5947 43.1022 176.4460 2 P 4.2545 0.0000 0.0000 62.1923 31.8304 175.5175 3 D 4.5308 8.4369 121.4233 56.8669 42.0640 176.6087 4 S 4.6905 7.5149 110.9701 56.7749 65.9466 173.2914 5 V 4.2072 7.8895 120.0882 61.5989 34.5429 174.7742 6 D 4.4308 7.8977 125.1368 51.8696 41.9427 175.5906 7 W 4.3067 8.6638 127.2055 58.7824 29.0786 178.2192 8 R 4.0960 8.5433 118.8823 59.0995 29.2577 178.5547 9 E 4.1330 8.2642 117.5295 58.2634 29.4216 178.3158 10 K 4.5235 7.8173 116.3485 54.9078 32.8199 176.0750 11 G 3.9866 7.9799 106.9723 47.4238 0.0000 174.4816 12 C 4.6895 8.2734 114.4095 58.8403 28.9511 173.7619 13 V 4.5665 7.5293 119.7137 60.9900 33.4697 175.4480 14 T 4.3253 8.3494 117.1475 60.4214 69.9627 173.9237 15 E 4.0890 8.4291 121.0666 56.2352 29.9623 177.4901 16 V 3.6647 8.1534 121.1267 62.9495 32.1548 175.9340 17 K 4.3266 8.1545 125.8108 55.0160 33.8956 175.3760 18 Y 4.3739 7.8882 120.7248 55.5908 39.6495 175.2177 19 Q 4.0595 8.0101 126.4276 56.7995 29.6676 178.6484 20 G 3.4635 6.4422 107.2113 46.3830 0.0000 174.7011 21 S 4.5681 8.6968 122.1433 58.6207 62.9285 173.7745 22 C 4.8391 7.5562 120.1712 54.7031 45.2175 175.3902 23 G 3.8889 8.6784 118.2624 45.3433 0.0000 173.4587 24 A 4.3817 7.6376 117.2213 52.1432 20.1187 177.9135 25 C 4.1751 8.3046 119.1747 62.7848 29.3616 175.7971 26 W 4.2107 8.3863 118.3510 59.2763 27.6289 178.0946 27 A 3.3084 6.1361 120.9778 54.5501 17.6925 179.4903 28 F 3.9374 7.7570 116.3294 60.4589 38.9911 177.8543 29 S 4.0935 8.5131 113.0026 61.3074 62.2154 176.1344 30 A 3.9711 7.9452 123.3594 55.4031 18.2066 180.0975 31 V 3.6577 7.9725 111.2315 64.3186 31.0831 179.0067 32 G 3.6810 8.3523 105.5021 47.1447 0.0000 175.6279 33 A 3.9858 7.9359 123.1246 54.8058 18.3667 179.5547 34 L 3.9900 7.9626 118.9075 58.0991 41.7420 178.8825 35 E 3.9096 8.7840 118.9071 59.3349 29.3257 179.2283 36 A 4.1200 7.5026 120.9145 54.7169 18.3711 179.7688 37 Q 3.8253 7.6222 115.2225 58.8019 28.7220 178.6596 38 L 3.9147 8.0725 121.6766 57.8354 42.1201 179.0145 39 K 4.3643 7.8645 120.7949 59.1081 31.9848 178.8019 40 L 4.1485 7.9264 120.4999 58.2721 41.5561 180.0495 41 K 4.2012 8.1124 123.0095 59.1672 32.0021 180.6122 42 T 4.6494 8.4078 108.6595 60.7597 69.9375 175.7257 43 G 3.9540 8.6245 110.0288 45.1710 0.0000 173.1923 44 K 4.4358 7.7368 119.5488 54.3418 33.8023 175.0365 45 L 4.6524 8.3993 125.6205 53.4897 42.6009 175.7234 46 V 4.4083 8.0116 125.1540 60.8894 34.3658 174.8360 47 S 4.4414 8.7326 123.6138 58.5205 63.2739 173.9403 48 L 4.3967 8.7910 125.8783 53.1310 43.3616 176.8658 49 S 4.1833 8.2502 114.8947 57.6335 61.7626 174.5595 50 A 3.6621 8.2056 131.3580 54.7979 17.9000 178.6244 51 Q 3.7611 7.7531 117.7981 59.1424 29.1429 177.7150 52 N 4.2233 8.0669 118.2077 56.7017 38.8524 176.9058 53 L 3.9937 7.3229 119.2027 57.6445 41.4836 179.4498 54 V 3.7699 7.2894 116.9883 66.4155 31.5367 177.5388 55 D 4.5530 8.3168 117.2455 56.4609 40.8007 177.1238 56 C 4.8671 8.1400 115.4506 57.1422 38.7750 174.6704 57 S 4.3870 8.0617 117.4815 56.9492 61.3498 173.4756 *1057 T 4.8095 7.1345 117.5082 61.3077 70.1030 176.0664 *2057 E 4.2075 8.9336 118.3992 56.5157 31.2371 176.3356 *3057 K 4.3998 7.8452 121.9378 54.8231 32.4687 177.0482 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 L 8.18 4.33 0.00 1.66 1.68 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.25 0.00 2.06 1.92 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 3 D 8.44 4.53 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 4.69 0.00 3.88 3.75 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 5 V 7.89 4.21 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 0.31 0.00 0.00 0.81 0.00 0.00 6 D 7.90 4.43 0.00 2.61 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 7 W 8.66 4.31 0.00 3.47 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 8 R 8.54 4.10 0.00 2.05 2.01 0.00 3.15 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 9 E 8.26 4.13 0.00 1.96 1.98 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 2.32 2.43 0.00 10 K 7.82 4.52 0.00 1.96 1.97 0.00 1.69 0.00 0.00 0.97 0.00 0.00 2.72 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.27 1.45 7.81 11 G 7.98 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 0.00 0.00 0.00 12 C 8.27 4.69 0.00 3.40 2.90 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 13 V 7.53 4.57 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.04 0.00 0.00 14 T 8.35 4.33 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 1.30 0.00 0.00 15 E 8.43 4.09 0.00 1.99 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 2.33 2.26 0.00 16 V 8.15 3.66 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 0.75 0.00 0.00 0.92 0.00 0.00 17 K 8.15 4.33 0.00 1.02 1.37 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.56 7.81 18 Y 7.89 4.37 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.01 4.06 0.00 2.32 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 20 G 6.44 3.46 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 0.00 21 S 8.70 4.57 0.00 3.89 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 22 C 7.56 4.84 0.00 2.98 3.16 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 0.00 0.00 0.00 23 G 8.68 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 0.00 0.00 0.00 24 A 7.64 4.38 1.08 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 0.00 0.00 25 C 8.30 4.18 0.00 3.24 3.30 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 26 W 8.39 4.21 0.00 3.69 3.39 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 27 A 6.14 3.31 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.76 3.94 0.00 3.12 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 29 S 8.51 4.09 0.00 3.97 4.11 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 0.00 0.00 0.00 0.00 30 A 7.95 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 3.66 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 0.61 0.00 0.00 0.99 0.00 0.00 32 G 8.35 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 3.99 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 34 L 7.96 3.99 0.00 1.76 1.76 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.78 3.91 0.00 2.14 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 0.00 2.52 2.54 0.00 36 A 7.50 4.12 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.62 3.83 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 38 L 8.07 3.91 0.00 1.80 1.82 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.86 4.36 0.00 1.94 1.95 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.42 7.81 40 L 7.93 4.15 0.00 1.76 1.71 0.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.11 4.20 0.00 1.86 1.71 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.31 7.81 42 T 8.41 4.65 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 1.24 0.00 0.00 43 G 8.62 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.74 4.44 0.00 1.84 1.72 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.35 7.81 45 L 8.40 4.65 0.00 1.59 1.59 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.01 4.41 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 0.90 0.00 0.00 0.93 0.00 0.00 47 S 8.73 4.44 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 4.40 0.00 1.55 1.54 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.25 4.18 0.00 3.81 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 3.66 0.24 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 0.00 0.00 51 Q 7.75 3.76 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 52 N 8.07 4.22 0.00 2.77 2.92 0.00 0.00 7.19 6.25 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 53 L 7.32 3.99 0.00 1.60 1.52 0.73 0.79 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 54 V 7.29 3.77 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.70 0.00 0.00 55 D 8.32 4.55 0.00 2.67 2.72 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 C 8.14 4.87 0.00 3.03 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 57 S 8.06 4.39 0.00 3.96 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 0.00 *1057 T 7.13 4.81 4.39 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 1.28 0.00 0.00 *2057 E 8.93 4.21 0.00 2.12 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 2.28 2.35 0.00 *3057 K 7.85 4.40 0.00 1.80 1.62 0.00 1.73 0.00 0.00 2.40 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 0.97 7.81 * Residues marked with a * may have inaccurate shift predictions.