NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3732 8.4045 118.7933 53.3280 33.3924 175.5593 2 K 4.0247 8.3426 115.8498 55.7209 35.7951 175.5631 3 E 3.9044 9.0490 123.1428 56.2422 29.0853 173.5674 4 G 4.2648 8.7633 102.6479 46.3361 0.0000 172.0510 5 I 4.5514 7.5560 117.2119 61.2022 40.2217 179.3635 *6 H 5.0159 7.9628 118.0306 54.1030 28.4876 180.0989 7 P 4.8891 0.0000 0.0000 64.0992 37.3679 176.9561 8 K 5.0876 9.1214 124.7613 55.2374 36.7343 175.5450 9 L 4.7159 8.6017 122.4553 55.9098 47.4301 176.7312 10 V 3.5713 9.4956 119.7273 63.1821 29.4586 172.8705 11 P 4.9574 0.0000 0.0000 62.7880 31.8663 177.2127 12 A 4.4860 8.0256 120.4847 54.1699 19.1980 179.2902 13 R 4.5263 9.1137 118.5262 59.0376 29.8005 181.4860 14 I 4.2843 9.1822 110.4289 61.6836 35.5693 180.2375 15 I 4.0966 7.7393 123.8556 60.6615 33.9288 179.5328 16 C 4.1086 8.8079 122.5818 57.7224 39.3659 175.6684 17 G 3.8456 8.6758 110.1438 46.2307 0.0000 175.1030 18 C 4.5327 7.9631 126.5283 54.9824 38.9383 175.0838 19 G 3.6133 8.0170 112.0413 47.0134 0.0000 174.9497 20 N 4.5466 8.1561 114.0066 54.1112 37.2803 178.3937 21 V 4.5319 7.6272 116.2374 61.7230 33.5407 181.5874 22 I 3.5163 8.6408 121.2931 64.5418 35.5682 181.1669 23 E 4.6943 7.5803 119.1533 58.6861 36.7202 179.4334 24 T 3.9828 8.2765 111.6315 60.6677 71.0295 174.1457 *25 Y 4.4745 8.4934 133.5473 57.0250 35.8799 174.9802 26 S 4.8226 9.2751 114.4173 60.4125 63.6469 176.5783 27 T 4.4437 7.5726 123.2636 62.1234 66.8372 182.6912 28 K 4.2311 9.1007 122.1251 56.2265 32.7224 175.6335 29 P 4.1671 0.0000 0.0000 64.5447 27.6291 176.9907 30 E 4.0796 8.3948 117.0877 58.2850 29.7758 180.0819 31 I 3.3608 7.9926 117.0082 62.4878 33.4804 179.1362 *32 Y 4.3218 7.8710 124.8827 57.7609 37.5450 178.4404 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 8.40 4.37 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 K 8.34 4.02 0.00 1.78 1.57 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.14 1.07 7.81 3 E 9.05 3.90 0.00 2.15 1.12 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 2.11 1.86 0.00 4 G 8.76 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 0.00 0.00 0.00 0.00 5 I 7.56 4.55 1.87 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 1.27 0.88 0.91 0.00 0.00 *6 H 7.96 5.02 0.00 2.92 1.95 0.00 7.21 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.89 0.00 2.02 1.11 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.50 0.00 8 K 9.12 5.09 0.00 1.72 1.60 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 0.95 7.81 9 L 8.60 4.72 0.00 1.51 0.93 0.92 0.86 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 10 V 9.50 3.57 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 0.82 0.00 0.00 0.93 0.00 0.00 11 P 0.00 4.96 0.00 1.94 1.98 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.54 0.00 12 A 8.03 4.49 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 13 R 9.11 4.53 0.00 1.65 1.53 0.00 3.27 0.00 0.00 3.20 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 14 I 9.18 4.28 1.87 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 1.27 1.10 0.91 0.00 0.00 15 I 7.74 4.10 1.87 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 1.16 1.10 0.91 0.00 0.00 16 C 8.81 4.11 0.00 2.72 2.81 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 17 G 8.68 3.85 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 0.00 0.00 0.00 18 C 7.96 4.53 0.00 2.74 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 19 G 8.02 3.61 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 0.00 0.00 0.00 20 N 8.16 4.55 0.00 2.66 2.80 0.00 0.00 6.63 7.67 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 21 V 7.63 4.53 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 0.72 0.00 0.00 0.93 0.00 0.00 22 I 8.64 3.52 1.87 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 1.16 1.10 0.91 0.00 0.00 23 E 7.58 4.69 0.00 1.80 1.80 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 2.07 2.02 0.00 24 T 8.28 3.98 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 *25 Y 8.49 4.47 0.00 2.23 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 26 S 9.28 4.82 0.00 3.62 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 27 T 7.57 4.44 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 28 K 9.10 4.23 0.00 1.77 1.63 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.00 7.81 29 P 0.00 4.17 0.00 2.15 2.12 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 30 E 8.39 4.08 0.00 1.98 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 2.23 1.89 0.00 31 I 7.99 3.36 1.87 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 1.16 0.97 0.91 0.00 0.00 *32 Y 7.87 4.32 0.00 2.28 2.03 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 * Residues marked with a * may have inaccurate shift predictions.