NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 I 4.1495 8.0249 121.4517 60.9750 37.9149 175.1479 1 L 4.1719 8.2740 125.8499 52.7600 42.5295 174.8893 2 P 4.4488 0.0000 0.0000 62.6510 32.8522 176.4567 3 D 4.5355 8.5674 120.8207 56.9980 41.1169 177.1633 4 S 4.7307 7.5968 112.2321 56.8384 66.9528 173.3361 5 V 4.2691 7.9906 121.3247 61.4775 34.4821 174.7980 6 D 4.5244 8.0304 125.2192 52.3822 42.0471 175.4099 7 W 4.0867 8.7322 127.0818 59.0128 29.7127 179.0614 8 R 4.0909 8.5570 118.0132 59.1368 29.6276 178.8222 9 E 4.0312 8.2698 116.7226 58.6794 29.1430 177.7423 10 K 4.3098 8.2008 117.4649 55.5104 32.1519 177.1112 11 G 3.9482 7.8920 106.4291 47.1423 0.0000 174.3685 12 C 4.7318 7.7273 111.4268 58.7944 28.5382 173.4318 13 V 4.3675 7.5482 119.4053 61.0780 33.4903 175.5925 14 T 4.3306 8.3994 117.7344 60.3497 70.1173 173.7283 15 E 4.1390 8.3445 119.1828 55.8449 30.1533 176.9221 16 V 3.6570 8.1636 120.3587 63.0387 32.1901 175.6246 17 K 4.4099 8.1524 125.1817 54.8060 34.2250 175.2115 18 Y 4.4323 7.9655 120.9504 55.6955 39.6080 175.4049 19 Q 4.0510 7.9936 126.3750 56.6758 30.0860 177.4340 20 G 3.7808 6.2941 106.8768 46.2883 0.0000 174.3596 21 S 4.3533 8.6934 118.7510 58.6570 63.4672 174.3312 22 C 4.6628 7.5945 121.4827 55.2432 44.6146 175.0678 23 G 3.8828 8.6465 118.7910 45.3255 0.0000 173.2883 24 A 4.4375 7.6484 117.6649 52.1303 20.2448 177.8697 25 C 4.1581 8.3371 119.1020 62.9131 29.2965 175.7382 26 W 4.2370 8.4359 118.3818 59.2684 27.5739 178.0305 27 A 3.3110 6.0776 120.9824 54.5561 17.7244 179.4841 28 F 3.9415 7.6643 116.3271 60.5449 39.0395 177.8802 29 S 4.1170 8.3773 112.7606 61.2227 62.1943 176.1691 30 A 3.9806 7.9932 123.4504 55.3992 18.2116 180.1281 31 V 3.6715 7.9876 111.2433 64.2486 31.2224 179.0488 32 G 3.6559 8.2823 105.4865 47.1477 0.0000 175.6578 33 A 3.9985 7.8789 123.0409 54.7483 18.3253 179.5410 34 L 3.9509 7.9366 118.8545 58.0183 41.9935 178.8982 35 E 3.9219 8.6789 119.0698 59.3209 29.3047 179.1830 36 A 4.2275 7.4909 120.7412 54.7515 18.4165 179.7701 37 Q 3.8368 7.6039 115.6472 58.7629 28.7318 178.6753 38 L 3.9296 8.2449 121.9358 57.8453 42.1258 178.9284 39 K 4.3823 7.9401 120.8639 59.2212 31.9992 178.7579 40 L 4.1901 8.0386 120.3236 58.1845 41.5273 179.9313 41 K 4.2569 7.9080 122.9969 58.7578 32.1055 181.1621 42 T 4.6941 8.4374 108.2322 60.5686 69.8779 175.5882 43 G 3.8952 8.7851 112.4475 46.0285 0.0000 173.8139 44 K 4.4852 7.6906 121.8432 52.2658 34.0518 179.6768 45 L 4.7250 8.4388 125.8854 52.5837 42.3881 175.7108 46 V 4.4055 8.0130 125.3486 60.7664 34.2359 175.0557 47 S 4.4506 8.7404 123.6374 58.5850 63.2741 173.8475 48 L 4.4133 8.6705 125.7413 53.0290 43.2601 176.8398 49 S 4.0865 8.2950 115.1174 58.1250 61.8860 174.6456 50 A 3.6422 8.2354 131.3922 54.6975 17.9828 178.6243 51 Q 3.7192 7.7339 117.8158 59.2472 29.1774 177.5515 52 N 4.2071 8.2635 118.3265 56.9521 38.7664 176.8066 53 L 3.9809 7.2200 119.1680 57.7186 41.5181 179.4403 54 V 3.7513 7.2880 116.9143 66.3236 31.4938 177.4348 55 D 4.5671 8.4454 117.5790 56.2960 40.8692 176.5880 56 C 4.7793 8.1315 115.2562 57.8016 38.8044 174.7234 57 S 4.3775 8.0499 116.6849 56.9043 61.2103 173.1498 *1057 T 4.8245 7.5151 117.4062 61.2085 69.9370 176.0345 *2057 E 4.2047 8.9239 116.4774 56.4149 31.3040 176.7396 *3057 K 4.3828 7.8424 123.3070 54.2656 32.4686 176.9908 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 0 I 8.02 4.15 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 1.42 1.07 0.91 0.00 0.00 1 L 8.27 4.17 0.00 1.73 1.60 0.94 0.84 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 2 P 0.00 4.45 0.00 2.00 1.94 0.00 3.68 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 1.98 2.08 0.00 3 D 8.57 4.54 0.00 2.65 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 4 S 7.60 4.73 0.00 3.76 3.67 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 0.00 0.00 0.00 0.00 5 V 7.99 4.27 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 0.47 0.00 0.00 0.87 0.00 0.00 6 D 8.03 4.52 0.00 2.62 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 8.73 4.09 0.00 3.51 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.09 0.00 2.07 2.02 0.00 3.15 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 9 E 8.27 4.03 0.00 1.92 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 2.32 2.39 0.00 10 K 8.20 4.31 0.00 2.09 1.87 0.00 0.61 0.00 0.00 0.80 0.00 0.00 2.45 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.21 1.16 7.81 11 G 7.89 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 12 C 7.73 4.73 0.00 3.34 2.97 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 0.00 0.00 0.00 13 V 7.55 4.37 2.15 0.00 0.00 0.00 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 14 T 8.40 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 1.25 0.00 0.00 15 E 8.34 4.14 0.00 2.10 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 0.00 2.29 2.30 0.00 16 V 8.16 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 0.78 0.00 0.00 0.92 0.00 0.00 17 K 8.15 4.41 0.00 1.08 1.32 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.54 7.81 18 Y 7.97 4.43 0.00 2.76 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 19 Q 7.99 4.05 0.00 2.47 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.53 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 20 G 6.29 3.78 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 0.00 0.00 0.00 21 S 8.69 4.35 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 22 C 7.59 4.66 0.00 3.01 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 23 G 8.65 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 24 A 7.65 4.44 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.16 0.00 3.24 3.44 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 26 W 8.44 4.24 0.00 3.68 3.38 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 0.00 27 A 6.08 3.31 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 3.94 0.00 3.25 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 8.38 4.12 0.00 3.95 4.14 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 30 A 7.99 3.98 1.38 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 0.00 0.00 0.00 31 V 7.99 3.67 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 0.58 0.00 0.00 0.94 0.00 0.00 32 G 8.28 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 3.95 0.00 1.76 1.64 0.89 0.99 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 8.68 3.92 0.00 2.16 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 2.55 2.54 0.00 36 A 7.49 4.23 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 7.60 3.84 0.00 2.20 2.11 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 8.24 3.93 0.00 1.78 1.83 0.91 0.49 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 39 K 7.94 4.38 0.00 1.94 1.99 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.25 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.65 1.44 7.81 40 L 8.04 4.19 0.00 1.79 1.75 0.78 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.91 4.26 0.00 1.87 1.71 0.00 1.77 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 1.37 1.31 7.81 42 T 8.44 4.69 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 43 G 8.79 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 0.00 0.00 0.00 44 K 7.69 4.49 0.00 1.62 1.66 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.20 7.81 45 L 8.44 4.72 0.00 1.59 1.63 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 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 8.74 4.45 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 8.67 4.41 0.00 1.57 1.54 0.89 0.99 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 S 8.30 4.09 0.00 3.81 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 50 A 8.24 3.64 0.26 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 51 Q 7.73 3.72 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 52 N 8.26 4.21 0.00 2.75 2.95 0.00 0.00 7.26 7.41 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 53 L 7.22 3.98 0.00 1.61 1.49 0.72 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.29 3.75 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 0.88 0.00 0.00 0.63 0.00 0.00 55 D 8.45 4.57 0.00 2.64 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 56 C 8.13 4.78 0.00 3.03 3.11 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 57 S 8.05 4.38 0.00 3.97 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 0.00 *1057 T 7.52 4.82 4.55 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 1.29 0.00 0.00 *2057 E 8.92 4.20 0.00 2.14 2.26 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 2.25 2.25 0.00 *3057 K 7.84 4.38 0.00 1.82 1.66 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.