NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8522 8.3501 109.7345 44.8594 0.0000 173.5099 3 A 4.0801 7.9178 121.9749 50.8328 19.2267 175.6889 4 Q 4.3812 9.2186 124.3411 54.4939 31.3611 172.7118 5 V 4.6320 8.2875 126.2692 61.2501 33.5995 174.6015 6 S 4.7532 8.2048 122.7060 56.4579 67.4345 173.4677 7 S 4.8242 8.5831 117.6845 58.7049 63.5010 173.9359 8 Q 4.3713 8.9428 123.9730 54.8486 29.7407 176.3643 9 K 4.0151 8.6519 125.0739 55.7026 31.0505 176.0443 10 V 3.8398 8.1549 126.1270 61.9017 32.8597 176.0282 11 G 3.6022 8.9411 120.4653 46.0317 0.0000 174.9693 12 A 3.9986 9.1188 126.2763 52.3106 18.9738 178.0274 13 H 4.6443 8.5115 120.6626 54.6745 29.9895 175.4227 14 E 4.1748 8.5343 124.4025 56.0930 30.4005 177.0545 15 N 4.7206 8.4583 119.9085 53.4575 37.0874 175.7921 16 S 4.2721 7.5089 114.0720 59.9657 64.9574 174.8752 *23 S 4.1122 7.6191 117.1188 58.0451 62.6700 173.5022 24 T 4.1009 8.4326 122.8861 61.9871 68.0059 173.2076 25 I 4.4844 8.2481 128.7300 60.1366 39.2043 174.5585 26 N 5.7380 8.8046 123.1872 51.7124 41.8803 173.2009 27 Y 4.9988 8.8110 117.4564 55.7700 41.8688 174.1831 28 T 5.0396 8.6244 116.7944 62.2240 71.2881 173.8959 29 T 4.6852 8.8286 121.5695 61.8050 72.4618 172.9154 30 I 4.6587 8.1196 125.9492 59.3809 40.3019 174.7878 31 N 4.2716 8.5780 124.7316 52.8082 39.0470 174.8187 32 Y 4.4568 7.9734 120.4947 58.8390 38.7436 175.0772 33 Y 4.9503 7.5758 116.4191 55.7078 40.9061 175.8095 34 R 4.0326 8.7757 122.9549 59.0553 30.7660 176.6441 35 D 4.7011 8.0564 118.6038 53.1710 41.8203 177.0710 36 S 4.3574 9.2441 119.9370 60.8878 63.1054 176.6159 37 A 4.0156 8.0539 121.7120 55.2675 18.1627 178.8056 38 S 4.1504 8.0237 110.9765 60.9405 62.8563 174.9016 39 N 4.4207 8.0872 118.3500 52.7496 38.7320 174.7178 40 A 4.0443 8.3051 124.2610 51.6885 18.1547 176.7336 41 A 4.2927 8.2891 122.2402 51.3704 18.9409 178.3785 42 S 4.1786 8.9133 118.6299 60.0467 62.4230 175.0583 43 K 4.0254 7.2441 112.3980 56.2895 30.5991 176.4760 44 Q 4.2006 7.6594 119.9339 54.5000 26.9738 174.8242 45 D 4.4869 7.3463 120.2726 52.5812 43.4050 176.2982 46 F 4.9241 8.0732 119.6236 56.3934 40.9552 175.5140 47 S 4.9434 8.6076 118.0533 56.8454 65.1695 173.5290 48 Q 4.7009 8.2216 119.8978 53.8481 31.6349 174.2878 49 D 4.5234 8.4450 118.3756 53.3884 41.8329 174.9826 50 P 4.6061 0.0000 0.0000 64.2847 31.4642 178.4937 51 S 4.0639 7.8324 115.4833 61.9228 62.5908 176.7229 52 K 3.7882 7.7966 119.2010 58.9575 32.1255 177.9700 53 F 4.8404 7.7436 118.2345 59.6144 40.2030 177.7693 54 T 4.2308 7.9786 107.3806 63.5127 69.9474 174.3522 55 E 4.7868 8.4960 121.2979 55.0383 30.2320 174.8141 56 P 4.7386 0.0000 0.0000 63.0289 31.5637 176.4681 57 I 4.1031 7.5499 112.4789 60.4507 38.6210 175.7439 58 K 3.8724 8.7932 124.6526 59.4202 32.1032 176.6223 59 D 4.6275 7.9399 120.5694 52.7162 40.4625 176.2491 60 V 3.4148 8.1475 123.2621 61.3594 31.4881 175.8934 61 L 4.2262 8.4049 125.2496 54.8820 41.6599 176.1889 62 I 4.3066 8.0750 122.8640 59.2216 37.8135 176.3885 63 K 3.8752 8.8217 126.3529 59.9870 32.2162 178.2372 64 T 4.0005 7.8684 107.6577 63.0697 69.2870 174.4699 65 A 4.4393 7.7205 125.2806 49.7731 20.0057 175.0555 66 P 4.2539 0.0000 0.0000 63.0430 31.4581 175.8826 67 M 4.0371 8.8736 123.8825 57.6982 32.1932 176.1414 68 L 4.7622 7.5565 116.7356 52.9391 44.0484 175.7292 69 N 4.4122 8.4839 120.1949 54.1764 38.7357 173.8215 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 8.35 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 0.00 0.00 0.00 3 A 7.92 4.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.22 4.38 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 5 V 8.29 4.63 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 0.80 0.00 0.00 0.86 0.00 0.00 6 S 8.20 4.75 0.00 3.25 3.57 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 0.00 0.00 0.00 7 S 8.58 4.82 0.00 3.80 3.84 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 0.00 0.00 0.00 0.00 8 Q 8.94 4.37 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.14 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 9 K 8.65 4.02 0.00 1.72 1.76 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 10 V 8.15 3.84 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 0.71 0.00 0.00 0.95 0.00 0.00 11 G 8.94 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.12 4.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.51 4.64 0.00 3.15 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.53 4.17 0.00 1.93 1.87 0.00 0.00 0.00 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 2.34 0.00 15 N 8.46 4.72 0.00 2.76 2.82 0.00 0.00 6.86 7.57 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 16 S 7.51 4.27 0.00 3.86 3.84 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 0.00 0.00 0.00 0.00 *23 S 7.62 4.11 0.00 3.86 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 24 T 8.43 4.10 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 1.22 0.00 0.00 25 I 8.25 4.48 1.91 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 1.37 0.64 1.00 0.00 0.00 26 N 8.80 5.74 0.00 2.59 2.76 0.00 0.00 6.80 7.46 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 27 Y 8.81 5.00 0.00 2.95 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 28 T 8.62 5.04 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 1.19 0.00 0.00 29 T 8.83 4.69 4.15 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 1.16 0.00 0.00 30 I 8.12 4.66 1.79 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 0.88 0.00 0.00 31 N 8.58 4.27 0.00 2.63 2.71 0.00 0.00 7.11 7.46 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 32 Y 7.97 4.46 0.00 2.35 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.58 4.95 0.00 2.94 2.83 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 34 R 8.78 4.03 0.00 1.83 2.03 0.00 3.25 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 35 D 8.06 4.70 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 9.24 4.36 0.00 3.88 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 37 A 8.05 4.02 1.26 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 38 S 8.02 4.15 0.00 4.01 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 39 N 8.09 4.42 0.00 2.91 2.74 0.00 0.00 6.71 7.15 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 40 A 8.31 4.04 1.27 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 0.00 0.00 41 A 8.29 4.29 1.26 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 42 S 8.91 4.18 0.00 3.84 3.91 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 43 K 7.24 4.03 0.00 1.88 1.84 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.46 7.81 44 Q 7.66 4.20 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 45 D 7.35 4.49 0.00 2.60 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 46 F 8.07 4.92 0.00 3.11 2.92 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 47 S 8.61 4.94 0.00 3.90 3.80 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 48 Q 8.22 4.70 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 49 D 8.45 4.52 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.61 0.00 2.40 2.41 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 51 S 7.83 4.06 0.00 3.87 3.94 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 52 K 7.80 3.79 0.00 1.52 1.64 0.00 0.87 0.00 0.00 1.27 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.54 0.21 7.81 53 F 7.74 4.84 0.00 3.13 3.07 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 0.00 0.00 0.00 54 T 7.98 4.23 4.28 0.00 0.00 0.00 0.00 0.00 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 55 E 8.50 4.79 0.00 1.96 1.88 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 2.22 2.22 0.00 56 P 0.00 4.74 0.00 2.18 2.23 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 57 I 7.55 4.10 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 1.18 0.60 0.91 0.00 0.00 58 K 8.79 3.87 0.00 1.73 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 D 7.94 4.63 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.15 3.41 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 0.73 0.00 0.00 0.92 0.00 0.00 61 L 8.40 4.23 0.00 1.75 1.70 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.08 4.31 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 1.47 0.52 0.91 0.00 0.00 63 K 8.82 3.88 0.00 1.86 1.97 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 64 T 7.87 4.00 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 65 A 7.72 4.44 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.25 0.00 2.39 2.10 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 67 M 8.87 4.04 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 68 L 7.56 4.76 0.00 1.65 1.55 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.48 4.41 0.00 2.63 2.61 0.00 0.00 6.96 7.56 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 * Residues marked with a * may have inaccurate shift predictions.