NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 P 4.3685 0.0000 0.0000 62.3572 32.7910 175.2352 21 Q 4.2605 8.4792 124.1781 51.9286 30.1243 172.9366 22 P 4.5027 0.0000 0.0000 63.3300 32.8482 174.8636 23 T 4.7491 8.2047 113.0544 60.4712 70.5080 172.4987 24 S 5.0517 8.3490 119.8493 57.0819 66.8965 172.4508 25 F 5.1138 8.1044 113.4559 55.2623 41.0811 172.0435 26 P 5.1054 0.0000 0.0000 62.6133 33.0429 174.1397 27 L 4.9374 8.4472 119.4523 53.1558 46.5262 175.9023 28 E 4.1251 8.7722 118.9946 57.3868 29.9456 176.3706 29 H 4.3459 9.3508 113.8225 57.4942 26.4414 175.0544 30 N 4.3968 8.3412 111.0153 54.7379 36.3923 174.2255 31 H 5.2978 8.3124 115.7207 55.8326 30.9075 173.9977 32 F 5.2052 8.9435 114.4382 56.2388 41.7806 173.0028 33 G 3.7132 8.8740 106.5282 44.3092 0.0000 172.5133 34 V 4.8085 8.5286 122.3721 60.7324 35.6783 173.3627 *36 E 4.2744 8.5351 120.0161 57.6170 30.3758 174.8317 37 D 4.4086 9.8073 120.2846 55.1600 37.7701 173.4623 38 G 3.8390 8.1930 110.2257 46.7888 0.0000 169.9205 39 Y 5.1608 7.7452 115.4270 56.0162 42.0989 174.7934 40 I 4.8524 9.3733 124.2494 59.6412 40.1856 174.5348 41 K 4.9508 9.3760 127.2814 54.6278 34.7880 175.1892 42 I 4.6899 8.3888 126.2636 60.0316 39.1133 174.6010 43 Y 4.9308 8.7538 124.0382 55.8958 41.9270 174.0410 44 E 4.9631 9.0982 121.8088 54.6087 32.8582 173.8120 45 Y 5.1480 8.8527 128.4174 56.4125 40.2570 174.4623 46 N 4.3643 9.1378 127.3951 52.0004 39.2140 175.0540 47 E 3.3528 8.3174 128.9249 58.9196 30.1661 179.2236 48 S 4.0732 7.9756 112.2836 61.1536 63.1891 175.2362 49 R 4.0543 8.8601 117.8903 55.4733 30.7366 175.4500 50 N 4.1828 7.3824 115.9683 54.9448 37.7807 173.1513 51 E 4.9334 8.1452 117.0312 54.6541 34.3692 176.6616 52 V 5.0605 8.5784 122.0482 61.2693 33.7979 174.8674 53 K 4.7800 8.9989 126.5023 54.3559 35.6963 174.9679 54 L 4.0999 8.5809 126.0455 54.8665 42.1065 176.2655 55 K 4.4302 8.7664 125.4360 57.2657 34.3673 176.8243 56 K 4.4116 7.4334 118.8898 55.3928 35.4804 174.0408 57 E 5.0457 8.8639 126.4437 54.8979 32.4266 174.7997 58 Y 4.8876 8.8998 123.2901 56.0631 42.6418 173.6057 59 A 3.7702 8.1912 128.8331 50.4674 19.1089 177.7141 60 D 4.4643 7.7244 127.9855 52.8117 38.9139 175.9333 61 D 4.8035 6.9917 113.6681 53.0170 40.8098 176.1640 62 E 4.1171 8.3161 124.6160 57.7180 29.5721 176.7712 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 20 P 0.00 4.37 0.00 2.09 2.09 0.00 3.65 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 1.95 2.10 0.00 21 Q 8.48 4.26 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 22 P 0.00 4.50 0.00 2.26 2.10 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 23 T 8.20 4.75 4.32 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 1.36 0.00 0.00 24 S 8.35 5.05 0.00 3.87 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 25 F 8.10 5.11 0.00 3.21 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.11 0.00 2.19 2.16 0.00 3.93 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 27 L 8.45 4.94 0.00 1.78 1.66 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.77 4.13 0.00 1.84 1.64 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 2.36 2.30 0.00 29 H 9.35 4.35 0.00 3.31 3.41 0.00 5.85 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.34 4.40 0.00 3.10 3.20 0.00 0.00 6.99 8.16 0.00 0.00 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 H 8.31 5.30 0.00 3.33 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.94 5.21 0.00 3.06 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 33 G 8.87 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 0.00 0.00 0.00 34 V 8.53 4.81 2.34 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 0.99 0.00 0.00 1.06 0.00 0.00 *36 E 8.54 4.27 0.00 2.15 1.94 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 2.34 2.37 0.00 37 D 9.81 4.41 0.00 2.96 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 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 39 Y 7.75 5.16 0.00 3.04 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 40 I 9.37 4.85 2.22 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 1.17 0.00 0.00 41 K 9.38 4.95 0.00 1.65 1.19 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.42 7.81 42 I 8.39 4.69 1.78 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.07 0.95 0.00 0.00 43 Y 8.75 4.93 0.00 1.43 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 44 E 9.10 4.96 0.00 1.48 1.62 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 2.16 2.17 0.00 45 Y 8.85 5.15 0.00 3.15 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 46 N 9.14 4.36 0.00 2.66 2.56 0.00 0.00 6.39 7.99 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 47 E 8.32 3.35 0.00 1.91 1.81 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 0.00 2.36 2.38 0.00 48 S 7.98 4.07 0.00 3.97 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 49 R 8.86 4.05 0.00 1.72 1.99 0.00 3.30 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 50 N 7.38 4.18 0.00 2.78 2.86 0.00 0.00 6.92 8.15 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 51 E 8.15 4.93 0.00 1.92 1.80 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 2.24 2.41 0.00 52 V 8.58 5.06 2.20 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 0.97 0.00 0.00 1.17 0.00 0.00 53 K 9.00 4.78 0.00 1.67 1.64 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.49 7.81 54 L 8.58 4.10 0.00 1.61 1.45 0.78 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.77 4.43 0.00 1.65 1.79 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.45 7.81 56 K 7.43 4.41 0.00 1.80 1.54 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.54 7.81 57 E 8.86 5.05 0.00 1.87 1.83 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 2.09 2.18 0.00 58 Y 8.90 4.89 0.00 2.98 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 59 A 8.19 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.72 4.46 0.00 2.75 2.54 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 61 D 6.99 4.80 0.00 2.65 2.47 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 0.00 62 E 8.32 4.12 0.00 2.03 1.92 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 2.30 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.