NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 I 4.1452 8.0249 121.4518 61.1918 38.1774 174.6217 1 L 4.5280 8.1844 125.6085 50.1634 43.5559 174.2892 2 P 4.4527 0.0000 0.0000 62.7376 32.7935 176.1885 3 D 4.5205 8.5625 119.9935 56.9689 41.0983 176.8928 4 S 4.7050 7.5308 110.9885 56.8008 65.9237 173.3112 5 V 4.2529 7.9342 120.1945 61.5892 34.5394 174.6889 6 D 4.4773 7.9967 125.0513 51.7815 42.1938 175.6173 7 W 4.1942 8.7675 127.4271 58.8600 29.0100 178.2720 8 R 4.0945 8.4574 118.7609 59.0848 29.2405 178.5304 9 E 4.1276 8.0970 117.5253 58.2842 29.4860 177.7066 10 K 4.2865 7.6150 116.3990 55.5517 32.2828 176.7237 11 G 3.9810 7.7782 106.2957 47.0981 0.0000 174.3378 12 C 4.6940 8.2328 114.2901 58.7930 28.6705 173.1684 13 V 4.2594 7.5766 119.7080 61.0609 33.2663 175.6131 14 T 4.3210 8.3449 117.5456 60.2500 70.2351 173.6021 15 E 4.0586 8.3906 121.8600 55.9119 30.1053 176.3869 16 V 3.6843 8.1805 123.9294 62.8760 32.1646 175.8084 17 K 4.3719 8.2082 125.8553 54.9918 33.9363 175.2713 18 Y 4.5093 7.9634 121.0527 55.7084 39.4733 175.4221 19 Q 3.9569 7.9807 126.4005 56.6347 30.1145 177.4653 20 G 3.5401 6.0680 106.9148 46.3944 0.0000 174.5508 21 S 4.3250 8.5816 117.6614 58.7239 63.6668 174.5451 22 C 4.5950 7.5789 121.8480 55.5092 44.4453 174.9231 23 G 3.8854 8.6323 118.2354 45.2258 0.0000 173.2737 24 A 4.4868 7.6864 118.9472 52.2212 20.2450 177.7975 25 C 4.1309 8.3333 119.2636 62.8480 29.3490 175.7296 26 W 4.2018 8.3996 118.3656 59.2420 27.6688 178.0849 27 A 3.2137 5.9998 120.9702 54.5744 17.6951 179.5009 28 F 3.8884 7.7879 116.3170 60.4289 38.9774 177.8316 29 S 4.0926 8.4665 112.9391 61.3031 62.2077 176.1341 30 A 3.9581 7.9365 123.2945 55.4433 18.2251 180.1136 31 V 3.6583 7.9254 111.1336 64.2784 31.0117 179.0640 32 G 3.6534 8.3263 105.5247 47.0982 0.0000 175.6407 33 A 3.9541 7.8987 123.1938 54.8037 18.3304 179.5550 34 L 3.9351 7.9206 118.8698 58.0742 41.7137 178.8257 35 E 3.9148 8.7301 118.9534 59.3410 29.3237 179.2662 36 A 4.1441 7.5131 120.9371 54.7834 18.4517 179.7765 37 Q 3.8641 7.6625 115.6586 58.7917 28.6776 178.7665 38 L 3.9401 8.2347 121.9701 57.8043 42.1327 178.9115 39 K 4.3602 7.8931 120.9036 59.1917 31.9922 178.7831 40 L 4.2206 8.0023 120.3093 58.2129 41.5417 179.9065 41 K 4.2527 8.0061 122.9961 58.7534 32.0477 180.9273 42 T 4.6789 8.5179 108.6147 60.9008 70.1892 175.6410 43 G 3.9781 8.6995 110.1370 44.9485 0.0000 173.2464 44 K 4.4617 7.6743 119.4878 54.3893 33.9502 175.0897 45 L 4.6673 8.3644 124.9427 53.4315 42.5837 175.7882 46 V 4.4072 8.0314 125.2556 60.7642 34.2741 175.0366 47 S 4.4197 8.7575 123.6365 58.6796 63.2683 173.8422 48 L 4.4329 8.8814 125.5878 53.0161 43.4401 176.9450 49 S 4.1309 8.2505 115.0790 57.8585 61.6394 174.5826 50 A 3.6637 8.1553 131.2854 54.6875 17.9710 178.6053 51 Q 3.7280 7.7415 117.8544 59.2337 29.1442 177.6873 52 N 4.2558 8.1551 118.1097 56.7243 38.8710 176.9006 53 L 3.9744 7.2308 119.0670 57.7462 41.5306 179.4081 54 V 3.7968 7.3521 116.8866 66.3755 31.4835 177.4344 55 D 4.5603 8.4475 117.5582 56.4111 40.8551 177.1231 56 C 4.8442 8.1851 115.4013 57.1929 39.2756 174.7840 57 S 4.3865 8.0577 117.4169 56.9586 61.3807 173.3287 *1057 T 4.8004 7.0141 117.3568 61.4211 69.9317 175.9115 *2057 E 4.2096 9.1221 118.6510 56.5244 31.0934 176.1287 *3057 K 4.1241 7.9199 122.3975 54.7721 32.4686 177.0614 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 8.18 4.53 0.00 1.71 1.59 0.94 0.83 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 2.30 2.01 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 3 D 8.56 4.52 0.00 2.68 2.77 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 4 S 7.53 4.70 0.00 3.89 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 5 V 7.93 4.25 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 0.46 0.00 0.00 0.86 0.00 0.00 6 D 8.00 4.48 0.00 2.63 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 4.19 0.00 3.47 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.09 0.00 2.05 2.01 0.00 3.15 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 9 E 8.10 4.13 0.00 1.97 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 2.32 0.00 10 K 7.62 4.29 0.00 2.04 1.87 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.14 7.81 11 G 7.78 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.23 4.69 0.00 3.25 2.96 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 13 V 7.58 4.26 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 8.34 4.32 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 8.39 4.06 0.00 1.96 1.91 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 2.30 2.30 0.00 16 V 8.18 3.68 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 0.82 0.00 0.00 0.93 0.00 0.00 17 K 8.21 4.37 0.00 1.15 1.42 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.60 7.81 18 Y 7.96 4.51 0.00 2.74 2.80 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 0.00 0.00 0.00 19 Q 7.98 3.96 0.00 2.41 2.03 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 2.11 2.12 0.00 20 G 6.07 3.54 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 0.00 0.00 0.00 21 S 8.58 4.33 0.00 3.99 3.98 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 0.00 0.00 0.00 22 C 7.58 4.59 0.00 2.99 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 23 G 8.63 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 0.00 0.00 0.00 24 A 7.69 4.49 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.33 4.13 0.00 3.24 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.20 0.00 3.69 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 27 A 6.00 3.21 0.08 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 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.79 3.89 0.00 3.10 3.04 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 29 S 8.47 4.09 0.00 3.99 4.10 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 30 A 7.94 3.96 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 31 V 7.93 3.66 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 0.55 0.00 0.00 0.92 0.00 0.00 32 G 8.33 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.90 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.94 0.00 1.76 1.63 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 8.73 3.91 0.00 2.18 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 2.57 2.49 0.00 36 A 7.51 4.14 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 7.66 3.86 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 38 L 8.23 3.94 0.00 1.79 1.83 0.91 0.53 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 39 K 7.89 4.36 0.00 1.95 2.00 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.44 7.81 40 L 8.00 4.22 0.00 1.80 1.75 0.82 0.96 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 8.01 4.25 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 2.82 0.00 0.00 0.00 0.00 1.37 1.31 7.81 42 T 8.52 4.68 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 8.70 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.67 4.46 0.00 1.75 1.71 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.49 7.81 45 L 8.36 4.67 0.00 1.59 1.60 0.94 0.89 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 8.03 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 8.76 4.42 0.00 3.91 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 8.88 4.43 0.00 1.53 1.53 0.89 0.88 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 49 S 8.25 4.13 0.00 3.80 3.71 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 50 A 8.16 3.66 0.21 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 0.00 0.00 51 Q 7.74 3.73 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 52 N 8.16 4.26 0.00 2.77 2.93 0.00 0.00 7.23 6.25 0.00 0.00 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 7.23 3.97 0.00 1.58 1.49 0.72 0.77 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 7.35 3.80 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 0.89 0.00 0.00 0.66 0.00 0.00 55 D 8.45 4.56 0.00 2.69 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 8.19 4.84 0.00 3.02 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 8.06 4.39 0.00 3.97 4.18 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 0.00 0.00 0.00 0.00 *1057 T 7.01 4.80 4.36 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 1.30 0.00 0.00 *2057 E 9.12 4.21 0.00 1.99 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 0.00 2.19 2.35 0.00 *3057 K 7.92 4.12 0.00 1.80 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 * Residues marked with a * may have inaccurate shift predictions.