NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8402 8.3549 109.7360 45.2810 0.0000 173.1917 2 K 4.2438 8.3534 119.9128 52.3593 32.9426 174.7859 3 K 4.2787 8.2774 124.3938 55.9287 34.8897 177.3600 4 S 4.5151 8.2740 117.3060 57.2708 65.5686 175.1414 5 K 3.9106 8.4341 121.7286 59.5017 32.2127 178.1200 6 A 4.1216 7.8773 120.5278 55.5782 18.6261 179.4100 7 T 3.8312 7.6779 114.0888 66.8443 68.6084 176.6879 8 K 4.0027 8.2416 121.4300 59.3704 32.2751 179.1266 9 K 4.0550 7.9660 118.7601 59.2668 31.9198 179.6727 10 R 3.9529 7.8646 118.0510 59.2113 30.1755 178.8037 11 L 4.0049 7.8765 118.2667 57.6379 41.4566 179.2837 12 A 3.9953 7.8893 120.3938 55.0502 18.2015 179.6775 13 K 3.9047 7.8293 117.4036 59.7527 32.1507 178.8775 14 L 4.1177 7.7034 117.8307 58.1438 41.6397 178.8576 15 D 4.4599 8.2990 117.8039 57.2194 41.1425 177.8568 16 N 4.3489 7.8951 117.9183 56.6312 38.8179 176.8430 17 Q 4.1587 8.2597 118.3867 58.2276 28.8456 177.6725 18 N 4.6280 7.5820 116.4221 53.5456 38.9017 175.1089 19 S 4.3120 7.4160 115.4851 58.0274 63.8200 173.4272 20 R 4.2928 7.9617 120.9219 54.4619 31.1929 175.6310 21 V 3.5955 8.0039 121.2563 61.4905 31.8458 173.9368 22 P 4.1206 0.0000 0.0000 62.9738 31.2365 176.7930 23 A 3.9816 8.8418 123.1087 55.3884 18.2764 179.9843 24 W 4.3014 8.0507 114.0507 59.2511 28.2870 178.5419 25 V 3.4636 7.2351 119.6430 65.7673 30.8237 177.7823 26 M 4.0438 7.6334 118.2882 58.1788 31.7434 178.7741 27 L 3.9767 7.8294 118.5759 57.7853 41.8849 179.2476 28 K 4.0779 7.9904 117.7323 58.7123 32.1470 177.6579 29 T 4.3911 7.5289 106.8648 60.1684 70.3831 173.6071 30 D 4.2407 8.7223 120.6256 55.7790 38.7818 170.4878 31 R 3.5523 8.3084 123.8339 55.5096 31.3435 177.2497 *35 R 3.8058 8.3590 119.5684 56.2103 29.9910 175.0876 36 N 4.5525 8.1379 123.1857 51.9617 38.2202 174.9967 37 H 4.4470 8.3346 122.3026 57.3664 29.0002 176.5415 38 K 4.4803 7.8627 118.2142 55.9021 32.0998 176.3666 39 R 3.9825 7.5869 118.8254 56.4131 30.0059 176.1787 40 R 4.6678 8.4593 122.8921 54.4650 32.9934 173.9562 41 H 4.9696 8.3461 122.6711 53.5377 32.3333 174.6540 42 W 4.2581 8.7373 123.5135 59.6112 28.0317 177.3510 43 R 3.9020 6.3734 117.5770 58.5223 29.8238 177.5039 44 R 3.8768 7.7620 115.2351 58.5904 30.2023 176.6301 45 N 4.7386 7.8175 114.1629 51.7352 40.5185 173.7679 46 D 4.4959 8.1555 118.0164 52.9750 42.9501 174.8806 47 T 4.1884 8.3366 117.1431 61.1259 69.8269 173.1889 48 D 4.5841 8.1680 121.4705 54.2146 42.4370 176.7599 49 E 4.1154 8.6675 118.5185 57.3468 29.1004 174.6254 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 1 G 8.35 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 0.00 0.00 0.00 2 K 8.35 4.24 0.00 1.82 1.76 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.43 7.81 3 K 8.28 4.28 0.00 1.86 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 4 S 8.27 4.52 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 3.91 0.00 1.77 1.88 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.51 7.81 6 A 7.88 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.68 3.83 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 8 K 8.24 4.00 0.00 2.00 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 7.97 4.06 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.79 7.81 10 R 7.86 3.95 0.00 2.02 1.97 0.00 3.30 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 11 L 7.88 4.00 0.00 1.73 1.72 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.89 4.00 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.83 3.90 0.00 1.86 1.98 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 14 L 7.70 4.12 0.00 1.85 1.75 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.30 4.46 0.00 2.80 2.84 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 16 N 7.90 4.35 0.00 2.79 2.96 0.00 0.00 7.17 6.62 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 17 Q 8.26 4.16 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 18 N 7.58 4.63 0.00 2.83 2.89 0.00 0.00 6.99 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 19 S 7.42 4.31 0.00 4.00 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 20 R 7.96 4.29 0.00 1.77 1.84 0.00 3.22 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 21 V 8.00 3.60 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 0.70 0.00 0.00 0.86 0.00 0.00 22 P 0.00 4.12 0.00 1.57 2.03 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.62 0.00 23 A 8.84 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 24 W 8.05 4.30 0.00 3.54 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 25 V 7.24 3.46 1.77 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 0.80 0.00 0.00 -0.38 0.00 0.00 26 M 7.63 4.04 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 27 L 7.83 3.98 0.00 1.79 1.76 0.98 0.86 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 28 K 7.99 4.08 0.00 2.11 2.02 0.00 2.07 0.00 0.00 2.03 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.57 7.81 29 T 7.53 4.39 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 1.27 0.00 0.00 30 D 8.72 4.24 0.00 2.83 2.74 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 0.00 0.00 0.00 31 R 8.31 3.55 0.00 1.91 1.93 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 *35 R 8.36 3.81 0.00 1.76 1.79 0.00 3.22 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 36 N 8.14 4.55 0.00 2.64 2.67 0.00 0.00 7.15 7.89 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 37 H 8.33 4.45 0.00 3.18 3.32 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.86 4.48 0.00 1.90 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 39 R 7.59 3.98 0.00 1.82 1.90 0.00 3.09 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 40 R 8.46 4.67 0.00 1.74 1.79 0.00 3.21 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 41 H 8.35 4.97 0.00 3.12 2.96 0.00 5.93 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.74 4.26 0.00 3.50 3.12 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 43 R 6.37 3.90 0.00 0.67 1.24 0.00 2.45 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.33 0.00 44 R 7.76 3.88 0.00 1.70 1.88 0.00 3.32 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 45 N 7.82 4.74 0.00 2.99 2.77 0.00 0.00 6.73 7.64 0.00 0.00 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 D 8.16 4.50 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.34 4.19 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 1.24 0.00 0.00 48 D 8.17 4.58 0.00 2.70 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 49 E 8.67 4.12 0.00 2.15 2.02 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 2.19 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.