NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9170 8.3549 109.7360 45.3731 0.0000 172.6157 2 K 4.3563 8.3728 118.6303 52.3926 33.7726 174.6241 3 K 4.5227 8.2581 123.3699 55.1787 35.6000 176.6652 4 S 4.5088 8.2042 116.7157 57.3902 65.6800 175.2175 5 K 3.9247 8.4501 121.7213 59.4329 31.7734 178.5103 6 A 3.9236 7.8755 120.5284 55.5597 18.5152 179.2638 7 T 3.7971 7.7598 114.2573 66.9754 68.4512 176.5756 8 K 4.0048 8.1452 121.1774 59.3199 32.1561 179.0372 9 K 3.9615 7.9674 118.8239 59.5600 32.0071 179.5725 10 R 3.9262 8.2459 118.4989 59.2418 30.0045 179.0528 11 L 3.9905 8.4523 118.9919 57.6736 41.5804 179.4548 12 A 3.9720 8.2839 120.9231 54.9547 18.2814 179.3975 13 K 3.7881 8.1542 118.1524 59.7615 32.2845 178.7043 14 L 4.1238 7.9704 119.0348 58.1300 41.3823 179.0858 15 D 4.3753 7.9273 116.3607 57.2818 41.1094 177.6720 16 N 4.4647 7.8539 116.8900 56.8180 39.1367 176.7208 17 Q 4.1246 8.1020 118.3335 58.3765 29.9993 177.8410 18 N 4.7986 7.8773 119.0764 52.4935 35.5198 172.8140 19 S 4.7382 6.9478 115.1563 55.9888 67.1471 174.1828 20 R 4.0005 8.2096 120.4618 55.8844 30.3921 175.7808 21 V 3.7109 8.0485 122.3230 61.1662 32.1237 173.9818 22 P 3.9382 0.0000 0.0000 63.2439 31.4847 176.4675 23 A 3.9001 8.8601 124.2302 55.1951 18.2742 179.8459 24 W 4.2641 8.1541 114.2873 59.6212 27.9732 178.3709 25 V 3.4514 6.8680 119.2334 65.5603 30.7078 177.9019 26 M 3.9874 7.9180 118.8844 58.2799 31.7787 178.5105 27 L 3.9939 7.8775 118.3928 57.6983 41.7240 178.9907 28 K 3.9623 8.0645 118.4577 59.9385 32.1867 177.9321 29 T 4.2752 7.8610 106.1773 60.5403 70.2501 174.6338 30 D 4.2369 9.2686 119.5304 56.4435 38.5653 170.6683 31 R 3.3935 8.6042 121.7039 55.8696 31.0379 176.8432 *35 R 3.8135 8.3927 119.6354 56.0016 30.8717 175.1538 36 N 4.4966 8.2992 122.8242 52.4392 37.8663 174.8372 37 H 4.3777 8.4867 119.4380 56.9135 28.5221 176.2543 38 K 4.5652 8.3304 117.1204 55.6728 33.2803 176.3387 39 R 3.8930 8.0263 119.4346 56.7017 30.0662 176.2150 40 R 4.6389 8.4040 122.7578 54.5925 32.6138 174.2366 41 H 4.9620 8.2829 120.9509 53.5341 32.4644 174.0834 42 W 4.3061 8.9880 124.1373 59.7716 27.9006 177.3807 43 R 3.6974 5.8400 117.2790 58.4817 29.7843 177.4181 44 R 3.9380 7.8628 114.9342 59.0091 30.3814 176.3668 45 N 4.7759 7.7566 114.3893 52.8424 40.7392 173.9547 46 D 4.3150 8.1663 119.5148 54.4487 42.5445 176.4047 47 T 4.1640 8.3158 118.7397 61.5891 69.8896 173.2072 48 D 4.7030 8.3603 120.6721 54.3430 42.6982 176.5211 49 E 4.1384 8.6495 118.7547 56.9256 28.9228 174.8809 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 3.92 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 0.00 0.00 0.00 2 K 8.37 4.36 0.00 1.81 1.73 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.43 7.81 3 K 8.26 4.52 0.00 1.85 1.78 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.40 7.81 4 S 8.20 4.51 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.92 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.88 3.92 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 7.76 3.80 4.46 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 0.00 0.00 0.00 1.25 0.00 0.00 8 K 8.15 4.00 0.00 1.95 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.97 3.96 0.00 2.01 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.79 7.81 10 R 8.25 3.93 0.00 2.01 1.98 0.00 3.32 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 L 8.45 3.99 0.00 1.80 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.28 3.97 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 13 K 8.15 3.79 0.00 1.84 2.02 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.97 4.12 0.00 1.93 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.93 4.38 0.00 2.68 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.46 0.00 2.90 2.99 0.00 0.00 7.25 7.14 0.00 0.00 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 8.10 4.12 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.34 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 18 N 7.88 4.80 0.00 2.89 2.95 0.00 0.00 6.97 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 19 S 6.95 4.74 0.00 3.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.00 0.00 1.75 1.84 0.00 3.25 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 21 V 8.05 3.71 1.96 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 0.69 0.00 0.00 0.87 0.00 0.00 22 P 0.00 3.94 0.00 1.06 1.94 0.00 3.52 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.55 0.00 23 A 8.86 3.90 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 24 W 8.15 4.26 0.00 3.58 3.36 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 0.00 25 V 6.87 3.45 1.76 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 0.81 0.00 0.00 -0.52 0.00 0.00 26 M 7.92 3.99 0.00 2.04 2.18 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 2.57 2.84 0.00 27 L 7.88 3.99 0.00 1.94 1.77 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.06 3.96 0.00 2.10 2.01 0.00 2.04 0.00 0.00 2.03 0.00 0.00 3.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.58 7.81 29 T 7.86 4.28 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 1.30 0.00 0.00 30 D 9.27 4.24 0.00 2.73 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 31 R 8.60 3.39 0.00 1.89 1.91 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 1.57 1.58 0.00 *35 R 8.39 3.81 0.00 1.68 1.76 0.00 3.21 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 36 N 8.30 4.50 0.00 2.66 2.69 0.00 0.00 7.17 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 8.49 4.38 0.00 3.17 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.33 4.57 0.00 1.82 1.76 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.38 7.81 39 R 8.03 3.89 0.00 1.81 1.90 0.00 3.11 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 1.67 0.00 40 R 8.40 4.64 0.00 1.76 1.81 0.00 3.20 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 41 H 8.28 4.96 0.00 3.10 2.96 0.00 5.95 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.99 4.31 0.00 3.49 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 5.84 3.70 0.00 0.67 1.07 0.00 2.57 0.00 0.00 2.91 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.21 0.00 44 R 7.86 3.94 0.00 1.77 1.91 0.00 3.31 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 45 N 7.76 4.78 0.00 2.83 2.78 0.00 0.00 6.83 8.75 0.00 0.00 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 8.17 4.32 0.00 2.59 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.16 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 8.36 4.70 0.00 2.69 2.64 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 0.00 0.00 0.00 0.00 49 E 8.65 4.14 0.00 2.13 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 0.00 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.