NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 F 4.4808 8.3244 119.4379 55.5428 41.1051 171.8137 6 E 3.2759 8.5136 126.1491 55.6757 29.3303 172.5344 7 I 3.3054 8.2921 130.1592 61.2489 38.1449 171.5066 8 P 3.9352 0.0000 0.0000 61.6697 31.1397 176.2359 9 D 4.2895 9.4075 112.0770 54.0443 40.5626 172.8910 10 D 4.0414 8.0629 111.7652 54.1398 38.4852 173.8221 11 V 4.1353 8.0345 118.6704 60.6407 33.5080 173.3072 12 P 4.4552 0.0000 0.0000 61.5640 33.2465 175.2641 13 L 3.3224 8.2867 119.1811 55.0143 42.2432 176.1472 14 P 3.8530 0.0000 0.0000 62.2255 31.6138 175.7655 15 A 4.1530 8.2309 124.5298 53.2318 18.9800 177.5667 16 G 3.9168 9.1836 111.5538 46.6809 0.0000 172.6261 17 W 4.9560 8.1075 117.1547 55.0033 33.1202 176.4769 18 E 4.8494 8.7130 118.6131 54.7512 30.3722 173.9508 19 M 4.5215 8.3735 119.6450 55.0415 31.9452 176.8395 20 A 4.3208 7.0329 121.0537 51.3556 24.4559 175.9128 21 K 4.9428 8.7105 114.8866 56.6596 35.5710 178.5867 22 T 4.2633 8.7401 114.7534 61.8422 69.4160 174.0286 23 S 4.4322 8.5175 117.9839 59.7048 63.1908 174.1569 *25 G 3.6104 7.7635 109.9227 46.6141 0.0000 171.3037 26 Q 3.2406 8.8206 122.4825 56.3122 28.1623 175.3723 27 R 3.8733 7.5075 117.2522 56.1491 30.5654 173.8931 28 Y 4.3552 7.2250 113.9529 56.6447 39.7747 174.2662 29 F 4.4631 9.1823 119.2579 56.6965 39.0413 174.7885 30 L 3.9380 8.0393 120.3070 56.1107 40.0810 174.0182 31 N 3.1400 8.2885 129.7428 51.7653 38.0832 176.0667 32 H 4.0989 7.6727 116.0377 58.5435 29.3243 177.0181 33 I 3.5370 6.6751 112.5355 63.1135 37.6978 175.6240 34 D 4.2677 7.3535 118.5733 53.6928 40.2884 175.6232 35 Q 4.9927 8.1697 115.2396 55.4602 32.7996 173.4466 36 T 4.6136 7.0289 115.6669 63.7469 73.1409 172.3901 37 T 5.1995 8.3507 112.5652 61.3108 71.7393 173.8594 38 T 4.1957 9.4777 116.7453 61.6393 69.2797 173.7284 39 W 5.0870 8.6602 135.0000 56.4510 31.1764 174.4657 40 Q 4.5599 7.7335 121.4924 55.9866 31.2515 173.9378 41 D 4.5689 7.8300 113.5397 51.9646 41.2142 174.4977 42 P 4.3691 0.0000 0.0000 65.2674 31.7086 176.7839 43 R 4.4997 7.1929 116.6024 55.5051 30.9141 174.3409 44 K 5.1542 7.9849 121.1027 55.1535 33.1709 176.3931 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 5 F 8.32 4.48 0.00 3.13 3.08 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 6 E 8.51 3.28 0.00 2.21 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 0.00 2.23 2.47 0.00 7 I 8.29 3.31 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 0.92 0.00 0.00 8 P 0.00 3.94 0.00 1.67 1.44 0.00 3.87 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 1.93 1.91 0.00 9 D 9.41 4.29 0.00 2.80 2.57 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 10 D 8.06 4.04 0.00 2.73 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 11 V 8.03 4.14 2.06 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 0.72 0.00 0.00 0.92 0.00 0.00 12 P 0.00 4.46 0.00 2.12 2.02 0.00 3.74 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 13 L 8.29 3.32 0.00 1.46 1.49 0.45 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 3.85 0.00 0.49 0.73 0.00 2.96 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.44 0.00 15 A 8.23 4.15 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 16 G 9.18 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 17 W 8.11 4.96 0.00 3.43 3.48 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 18 E 8.71 4.85 0.00 1.79 1.75 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 0.00 2.20 2.29 0.00 19 M 8.37 4.52 0.00 2.33 2.02 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.33 0.00 20 A 7.03 4.32 1.08 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 21 K 8.71 4.94 0.00 1.79 1.81 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.59 7.81 22 T 8.74 4.26 4.25 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 0.00 0.00 0.00 1.13 0.00 0.00 23 S 8.52 4.43 0.00 3.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.76 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.82 3.24 0.00 1.81 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 5.89 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 27 R 7.51 3.87 0.00 1.86 1.72 0.00 3.18 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.48 0.00 28 Y 7.23 4.36 0.00 3.52 3.29 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 29 F 9.18 4.46 0.00 3.53 3.45 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 30 L 8.04 3.94 0.00 1.49 1.72 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.29 3.14 0.00 2.58 2.60 0.00 0.00 6.94 9.28 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 32 H 7.67 4.10 0.00 3.20 3.36 0.00 5.80 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 6.68 3.54 1.68 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.34 0.58 0.00 0.00 34 D 7.35 4.27 0.00 2.63 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 35 Q 8.17 4.99 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.39 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 36 T 7.03 4.61 4.30 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 1.21 0.00 0.00 37 T 8.35 5.20 4.40 0.00 0.00 0.00 0.00 0.00 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 38 T 9.48 4.20 4.62 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 1.68 0.00 0.00 39 W 8.66 5.09 0.00 3.28 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 40 Q 7.73 4.56 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 41 D 7.83 4.57 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 1.63 1.68 0.00 3.76 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 1.57 1.15 0.00 43 R 7.19 4.50 0.00 1.58 1.71 0.00 3.08 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 44 K 7.98 5.15 0.00 1.93 1.60 0.00 1.87 0.00 0.00 2.37 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.