NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 N 4.6675 8.4249 119.2055 52.7907 40.1470 173.6080 13 E 3.7344 9.2214 122.2787 56.7366 30.5652 176.2769 14 S 4.1111 7.1162 113.0483 55.4500 67.3458 172.3843 15 G 3.9584 8.1935 110.7505 45.0064 0.0000 174.5101 16 N 3.7522 6.8796 116.3256 53.5544 35.9788 172.0028 17 E 5.2390 8.0754 121.3222 56.0623 31.2497 176.5224 18 G 4.1213 8.2045 114.2523 44.5673 0.0000 170.7959 19 V 4.5707 7.7550 124.3280 59.5252 34.6951 176.6440 20 I 3.8064 8.2559 121.2517 63.4761 37.3502 176.1405 21 I 3.9728 7.6179 120.3006 59.9185 37.3449 174.5842 22 N 4.7142 8.5511 126.5400 52.0296 39.1873 170.5449 23 N 4.3822 8.7789 129.1687 52.7945 38.8829 173.5074 24 F 4.8914 8.7447 124.5873 60.0952 42.1969 176.3717 25 Y 3.8009 7.8407 109.9682 60.1404 36.6139 179.4715 26 S 4.7007 9.8897 121.2728 60.0312 67.2179 177.6557 27 N 4.0922 8.0956 123.7345 56.4013 38.7977 176.8658 28 Q 3.9001 8.1004 116.2792 58.9925 28.9801 178.1895 29 Y 4.2480 12.0000 113.7590 59.1506 38.9153 176.6150 30 Q 4.3415 8.1647 119.4398 57.6084 30.6050 175.0487 31 N 5.1093 7.9357 115.7138 53.7429 39.4356 176.2309 32 S 4.6654 8.3710 114.6253 60.6690 64.0676 173.9937 33 I 2.8653 7.6585 120.4845 64.0987 38.2074 173.6963 34 D 5.6555 9.0374 135.0000 55.0240 42.5097 176.0842 35 L 4.5185 7.1960 116.4865 53.5862 42.5356 173.0003 36 S 4.3273 8.2466 116.8392 56.7757 64.6307 173.0237 37 A 4.2680 8.4941 131.4466 50.8145 19.4299 176.0007 *52 L 4.1193 8.1672 124.2942 55.3578 43.1390 175.9641 53 S 4.5902 7.9353 114.9210 58.2891 66.6129 176.5881 54 N 4.8053 8.4097 121.8576 53.9191 40.4930 173.3436 55 L 4.3290 7.8403 119.6800 55.8302 44.9105 175.1566 56 L 4.2190 8.2313 121.8170 55.3084 42.2076 175.3060 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 12 N 8.42 4.67 0.00 2.70 2.79 0.00 0.00 6.99 6.77 0.00 0.00 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 E 9.22 3.73 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 14 S 7.12 4.11 0.00 3.90 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 15 G 8.19 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.88 3.75 0.00 2.74 2.85 0.00 0.00 6.74 7.65 0.00 0.00 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 E 8.08 5.24 0.00 2.32 1.78 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 2.06 2.11 0.00 18 G 8.20 4.12 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 0.00 0.00 0.00 19 V 7.76 4.57 2.09 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 0.84 0.00 0.00 0.95 0.00 0.00 20 I 8.26 3.81 1.86 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 1.30 0.81 0.91 0.00 0.00 21 I 7.62 3.97 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.88 0.00 0.00 22 N 8.55 4.71 0.00 2.76 2.78 0.00 0.00 7.22 8.00 0.00 0.00 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 N 8.78 4.38 0.00 2.94 2.97 0.00 0.00 7.03 7.45 0.00 0.00 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 F 8.74 4.89 0.00 2.65 2.52 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 0.00 25 Y 7.84 3.80 0.00 3.09 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 9.89 4.70 0.00 4.25 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 27 N 8.10 4.09 0.00 2.83 2.85 0.00 0.00 7.07 7.80 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 28 Q 8.10 3.90 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 29 Y 12.00 4.25 0.00 3.24 2.99 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 30 Q 8.16 4.34 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 31 N 7.94 5.11 0.00 2.73 2.42 0.00 0.00 6.86 7.18 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 32 S 8.37 4.67 0.00 3.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.66 2.87 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 0.87 0.00 0.00 34 D 9.04 5.66 0.00 2.78 2.69 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 35 L 7.20 4.52 0.00 1.70 1.84 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.25 4.33 0.00 3.80 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 37 A 8.49 4.27 1.24 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 *52 L 8.17 4.12 0.00 1.62 1.62 0.92 0.94 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 53 S 7.94 4.59 0.00 3.83 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 54 N 8.41 4.81 0.00 2.71 2.79 0.00 0.00 6.75 7.85 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 55 L 7.84 4.33 0.00 1.52 1.49 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.23 4.22 0.00 1.56 1.43 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.