NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.8810 8.2085 109.7364 44.9559 0.0000 175.6425 -1 A 3.7911 8.9018 122.1654 55.1061 18.1930 178.0843 0 S 4.0632 8.7801 114.4131 62.1053 63.4765 175.1075 1 M 4.0793 7.9735 120.8104 58.5423 31.7201 178.3900 2 D 4.3660 8.3838 118.9420 57.3622 40.8886 178.7692 3 A 4.0247 8.1619 121.2620 54.9334 18.2511 179.8557 4 I 3.6679 7.8404 118.6302 64.3779 37.1973 178.6805 5 K 3.9221 8.1259 119.3650 59.2442 31.8630 179.1536 6 K 3.8518 8.1656 119.8502 59.4341 32.0626 178.3806 7 K 3.8075 8.1811 119.9902 59.9545 32.0643 178.0768 8 M 3.9841 8.2573 118.3547 59.0055 32.2183 178.2665 9 Q 4.0544 8.2047 118.0164 58.9097 28.7470 178.6118 10 M 4.0597 8.2463 119.9865 58.3275 31.9647 178.6411 11 L 3.9541 8.1032 119.3287 57.6202 41.7866 179.4264 12 K 3.8643 8.0756 119.4042 59.6450 32.0929 178.6229 13 L 4.1331 7.7897 119.9962 58.1622 42.0021 178.5731 14 D 4.3433 8.3976 119.2667 57.0355 40.6432 178.6918 15 K 3.9183 8.3679 120.4331 59.5701 32.2545 178.6695 16 E 3.9580 8.2634 118.8631 59.6028 29.3968 179.2177 17 N 4.3140 8.5535 116.5398 56.1811 38.5412 177.3621 18 A 3.9914 8.0442 122.1374 55.2786 18.5223 179.7364 19 L 3.9289 8.2777 117.8301 57.7811 41.6125 179.2947 20 D 4.3013 8.2079 118.2832 57.1957 41.0833 178.3114 21 R 3.8329 8.1589 118.9638 59.4556 30.1622 178.1884 22 A 3.9835 8.1510 120.6756 55.4204 18.3370 179.5289 23 E 3.9412 8.2612 117.0010 59.4611 29.5303 179.3585 24 Q 3.9404 8.2284 119.5183 59.0012 29.0547 178.0605 25 A 4.0225 8.3002 122.1204 55.3388 18.2358 179.5386 26 E 3.9158 8.0354 115.7443 59.2150 29.6769 179.2421 27 A 4.1838 8.0202 120.8855 55.3295 18.4869 179.4160 28 D 4.3925 8.1462 117.4470 57.4881 40.8645 178.9836 29 K 4.0144 8.4131 120.3240 59.5669 32.1992 178.1973 *215 D 4.7017 7.8891 117.7352 54.3913 42.6369 177.3631 216 F 4.1485 8.6000 120.8410 61.6464 39.3336 176.8780 217 Y 3.8089 8.5148 116.4850 60.9270 37.6732 178.0753 218 F 4.3105 8.8052 122.1456 61.1246 38.3598 177.2864 219 G 3.6898 9.0867 107.6562 47.2860 0.0000 176.3576 220 K 4.1371 7.2047 125.8882 59.4084 32.0242 184.5160 221 L 4.2924 7.7095 122.4736 58.0782 40.7144 180.2028 222 R 3.8499 7.7770 119.8257 60.1150 29.1517 180.2516 223 N 4.9354 7.3869 117.6642 56.9916 39.3549 177.6557 224 I 3.7630 8.0782 122.0281 65.0472 35.1086 180.4217 225 E 4.2449 8.2938 120.0843 58.6483 29.0052 179.1389 226 L 4.0562 7.1912 123.1554 58.6198 42.1869 179.2845 227 I 3.9083 7.2837 119.2978 65.1389 35.4768 180.2499 228 C 4.5935 7.7295 116.9551 61.3768 28.0198 174.2218 229 Q 3.8133 7.4610 123.7016 57.4718 28.8853 176.4343 230 E 4.1590 8.8637 120.5194 56.5082 29.7080 170.6444 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 -2 G 8.21 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 -1 A 8.90 3.79 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 0 S 8.78 4.06 0.00 3.88 3.92 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 0.00 0.00 0.00 1 M 7.97 4.08 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 2 D 8.38 4.37 0.00 2.88 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 3 A 8.16 4.02 1.39 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 0.00 0.00 4 I 7.84 3.67 2.01 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 1.52 0.78 0.91 0.00 0.00 5 K 8.13 3.92 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 6 K 8.17 3.85 0.00 1.86 2.08 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 7 K 8.18 3.81 0.00 2.00 2.00 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.51 7.81 8 M 8.26 3.98 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 9 Q 8.20 4.05 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 10 M 8.25 4.06 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.58 0.00 11 L 8.10 3.95 0.00 1.85 1.72 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.08 3.86 0.00 1.96 1.95 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.45 7.81 13 L 7.79 4.13 0.00 1.83 1.64 0.92 1.17 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 14 D 8.40 4.34 0.00 2.76 2.70 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 15 K 8.37 3.92 0.00 1.80 2.00 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 16 E 8.26 3.96 0.00 2.18 1.99 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 2.33 2.49 0.00 17 N 8.55 4.31 0.00 2.81 2.86 0.00 0.00 6.95 6.81 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 18 A 8.04 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 3.93 0.00 1.83 1.73 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.21 4.30 0.00 3.04 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 21 R 8.16 3.83 0.00 2.02 2.07 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 22 A 8.15 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 3.94 0.00 2.26 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 2.33 2.45 0.00 24 Q 8.23 3.94 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 25 A 8.30 4.02 1.39 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 0.00 0.00 26 E 8.04 3.92 0.00 2.08 2.04 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 2.34 2.33 0.00 27 A 8.02 4.18 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 28 D 8.15 4.39 0.00 3.02 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 K 8.41 4.01 0.00 1.88 2.05 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.71 1.54 7.81 *215 D 7.89 4.70 0.00 3.11 2.85 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 0.00 216 F 8.60 4.15 0.00 3.17 3.20 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 0.00 0.00 0.00 217 Y 8.51 3.81 0.00 3.28 3.03 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 0.00 218 F 8.81 4.31 0.00 3.27 3.27 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 0.00 219 G 9.09 3.69 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 0.00 0.00 0.00 220 K 7.20 4.14 0.00 1.68 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.34 7.81 221 L 7.71 4.29 0.00 1.55 1.58 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 222 R 7.78 3.85 0.00 1.83 1.93 0.00 3.25 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 223 N 7.39 4.94 0.00 3.17 2.78 0.00 0.00 7.15 7.70 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 0.00 224 I 8.08 3.76 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 1.52 0.56 0.91 0.00 0.00 225 E 8.29 4.24 0.00 2.12 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 2.33 2.18 0.00 226 L 7.19 4.06 0.00 2.03 1.82 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 227 I 7.28 3.91 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 1.52 0.80 0.91 0.00 0.00 228 C 7.73 4.59 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 Q 7.46 3.81 0.00 2.41 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.08 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00 230 E 8.86 4.16 0.00 2.16 1.74 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 2.14 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.