NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3019 8.2549 119.7020 54.9955 31.2791 177.0379 5 E 5.7225 9.9677 135.0000 60.7868 31.7229 177.2104 6 C 4.3979 9.0638 120.8268 58.4148 42.8935 170.9286 7 D 4.7165 8.1029 130.5967 55.3370 39.9621 174.0310 8 Y 4.5691 7.5697 115.0219 59.1874 43.6270 173.0770 9 C 4.4751 8.3487 124.7525 55.8930 43.2719 174.0871 10 G 3.7422 8.8968 112.7970 46.9146 0.0000 173.6235 11 T 4.3737 6.8441 112.2299 62.6909 67.7749 175.1332 12 D 5.3927 8.2603 130.5153 54.3899 42.1866 175.6983 13 I 3.9422 7.7210 118.7957 62.1921 40.9048 172.2684 14 E 3.8941 8.4062 126.1280 57.6295 27.9698 172.0641 15 P 4.3020 0.0000 0.0000 58.1961 35.0959 177.5742 16 G 4.1645 8.4456 108.6592 45.6700 0.0000 174.3127 17 T 4.4777 9.9409 108.8621 62.2467 72.6414 175.8080 18 G 4.0404 8.1755 112.0795 45.1292 0.0000 172.3786 19 T 3.9914 7.4891 116.1752 61.8076 69.8190 171.6660 20 M 4.8484 8.4449 121.6086 53.5770 33.3853 175.5708 21 F 4.9018 8.8637 124.3469 59.1199 40.5048 175.0701 22 V 4.4986 8.1660 109.3398 62.4253 34.8541 171.2493 23 H 4.9776 8.6298 118.2637 53.2203 31.6307 172.7715 24 K 4.1810 8.3504 119.8492 57.2738 32.3222 175.6811 25 D 4.6810 8.6308 121.2782 54.5366 37.6742 176.5045 26 G 3.8582 8.1752 104.1543 46.0084 0.0000 174.4411 27 A 4.3560 7.1872 122.0519 51.6984 20.0158 175.7128 28 T 4.4584 7.1799 106.3887 63.0523 70.9715 173.1938 29 T 4.7436 7.9185 115.6770 62.1943 68.1903 171.6271 30 H 4.2715 7.5317 123.6619 57.7804 30.2711 174.7939 31 F 5.2947 8.5105 117.5383 56.9463 43.5415 171.5399 32 C 4.8655 9.1566 119.0897 55.9186 40.1152 177.3386 33 S 4.6155 8.9340 115.2374 56.5671 63.4079 173.2147 34 S 4.4841 8.4363 115.1520 58.8215 62.1693 174.3113 35 K 4.2330 7.4484 117.6524 58.8158 32.5649 176.9059 36 C 4.4112 8.2631 115.7284 57.4357 37.6219 176.9204 37 E 3.3307 7.8965 119.7921 55.5066 32.8617 181.0212 38 N 3.2966 8.2286 105.8363 52.1674 41.2466 176.4501 39 N 3.7534 12.0000 114.6318 56.0849 38.9179 176.4647 40 A 4.0346 8.0925 125.5072 55.9425 19.0951 179.3845 41 D 4.4443 7.7642 115.2838 56.1622 41.0564 177.6498 42 L 4.5267 8.0991 118.5751 53.8906 42.9747 177.9692 *44 R 5.0308 8.1447 113.5036 54.8524 30.5982 175.4839 45 E 4.3951 8.6965 117.4117 53.3095 31.9322 174.1943 46 A 3.8216 8.3782 129.4497 55.4774 18.7220 176.7006 47 R 4.0031 7.6266 112.8496 57.6841 30.6344 175.2302 48 N 4.4802 9.5737 122.1907 53.3017 34.2801 175.1284 49 L 4.1170 9.0815 119.7113 55.5161 44.1593 173.1533 50 E 4.5441 9.1224 122.0546 56.9102 29.3568 178.9014 51 W 3.5396 9.4034 109.9781 59.0217 31.1327 174.6733 52 T 4.7185 10.7500 115.0441 61.7693 68.0282 175.4441 53 D 4.8224 8.8303 121.2215 54.6400 41.0746 176.6129 54 T 4.3578 7.4843 111.8941 62.8627 69.3906 175.6782 55 A 4.4383 6.3714 126.4101 52.0008 17.8402 178.7318 56 R 4.1926 7.7216 124.8680 56.7993 30.1292 177.5134 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 4 R 8.25 4.30 0.00 1.79 1.78 0.00 3.12 0.00 0.00 3.11 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 5 E 9.97 5.72 0.00 2.12 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 0.00 2.10 2.30 0.00 6 C 9.06 4.40 0.00 3.04 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 D 8.10 4.72 0.00 2.74 2.56 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 8 Y 7.57 4.57 0.00 2.84 2.91 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 9 C 8.35 4.48 0.00 3.23 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 10 G 8.90 3.74 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 0.00 0.00 0.00 11 T 6.84 4.37 4.35 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 1.29 0.00 0.00 12 D 8.26 5.39 0.00 2.79 2.76 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 13 I 7.72 3.94 1.90 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 1.45 0.27 0.93 0.00 0.00 14 E 8.41 3.89 0.00 2.20 2.20 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 0.00 2.24 2.35 0.00 15 P 0.00 4.30 0.00 2.20 1.99 0.00 3.61 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 2.10 2.14 0.00 16 G 8.45 4.16 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 0.00 0.00 0.00 17 T 9.94 4.48 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 18 G 8.18 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.49 3.99 4.21 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 0.00 0.00 0.00 1.14 0.00 0.00 20 M 8.44 4.85 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 21 F 8.86 4.90 0.00 3.46 3.22 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 0.00 0.00 0.00 0.00 22 V 8.17 4.50 2.12 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 0.90 0.00 0.00 1.05 0.00 0.00 23 H 8.63 4.98 0.00 3.14 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.35 4.18 0.00 1.76 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 D 8.63 4.68 0.00 2.93 3.06 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 26 G 8.18 3.86 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 0.00 0.00 0.00 27 A 7.19 4.36 0.94 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 0.00 0.00 28 T 7.18 4.46 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 29 T 7.92 4.74 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 1.31 0.00 0.00 30 H 7.53 4.27 0.00 3.20 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.51 5.29 0.00 3.12 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.16 4.87 0.00 3.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 4.62 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 34 S 8.44 4.48 0.00 3.85 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 35 K 7.45 4.23 0.00 1.87 1.76 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.39 7.81 36 C 8.26 4.41 0.00 3.12 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 37 E 7.90 3.33 0.00 1.70 1.57 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 0.00 2.18 2.25 0.00 38 N 8.23 3.30 0.00 3.05 3.17 0.00 0.00 7.37 6.84 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 39 N 12.00 3.75 0.00 3.00 2.76 0.00 0.00 7.08 7.81 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 40 A 8.09 4.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.76 4.44 0.00 2.57 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.53 0.00 1.68 1.61 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *44 R 8.14 5.03 0.00 1.92 1.84 0.00 2.57 0.00 0.00 3.79 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 45 E 8.70 4.40 0.00 1.85 1.83 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 2.11 2.48 0.00 46 A 8.38 3.82 1.02 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 0.00 0.00 47 R 7.63 4.00 0.00 2.05 1.93 0.00 3.32 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 48 N 9.57 4.48 0.00 2.89 3.28 0.00 0.00 6.18 7.79 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 49 L 9.08 4.12 0.00 1.65 1.95 1.24 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.12 4.54 0.00 2.12 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 2.38 2.38 0.00 51 W 9.40 3.54 0.00 3.46 3.55 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 52 T 10.75 4.72 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 D 8.83 4.82 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 4.36 4.91 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 1.54 0.00 0.00 55 A 6.37 4.44 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 56 R 7.72 4.19 0.00 1.80 1.84 0.00 3.20 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.