NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9882 8.0549 120.3907 62.8590 32.5743 174.4731 2 T 4.2440 8.5100 123.6606 59.9661 70.2063 171.8585 3 S 4.8407 9.0511 122.2363 56.3630 66.5577 172.7568 4 Y 4.7181 8.4913 119.2791 56.4482 40.9857 174.8997 5 T 4.7651 8.3794 117.1994 60.3105 70.6453 172.6283 6 L 4.7150 8.2167 127.2918 53.9212 45.1972 174.8055 7 S 4.6948 8.1833 117.9316 57.4930 65.8418 172.3807 8 D 4.4786 8.0459 119.0125 53.4901 43.6798 174.7347 9 V 3.9569 8.2080 123.0473 61.8728 32.1184 175.4948 10 V 4.3169 8.1605 126.3910 61.1223 33.8910 175.5697 11 S 4.5002 8.4366 122.9086 56.6036 62.0997 174.1527 12 L 3.9212 8.4467 129.3046 58.7153 41.3584 178.4940 13 K 3.7565 8.1195 117.3379 59.4951 31.9953 177.2729 14 D 4.6480 7.9890 116.4107 54.4950 41.2307 176.9425 15 V 4.1178 7.7041 118.2079 63.9178 32.9246 176.0462 16 V 4.3745 7.2954 110.1982 58.6948 33.6453 173.5813 17 P 4.6075 0.0000 0.0000 62.0727 32.0528 176.8084 18 E 4.0022 8.8233 118.7443 58.5347 29.4800 177.8860 19 W 4.7152 8.0323 117.2589 54.8930 31.1333 175.3132 20 V 4.6784 8.2551 114.5871 59.9382 35.4359 174.4601 21 R 4.7198 8.3886 119.0595 54.3876 32.9170 175.4657 22 I 4.4725 7.6816 113.5912 59.0518 40.3624 175.4801 23 G 3.6328 7.1290 106.9640 45.9250 0.0000 172.2223 24 F 4.9732 8.2635 116.6469 55.7230 42.2619 174.5137 25 S 4.6687 8.3385 115.2905 56.9755 65.4546 173.0441 26 A 4.5957 8.1176 126.7028 51.2516 21.7948 175.5926 27 T 4.7397 7.9440 109.9130 60.3186 71.9899 172.7915 28 T 4.9555 8.2658 111.1918 60.0979 72.9999 174.9192 29 G 4.1519 8.4321 113.5121 44.6747 0.0000 174.7780 30 A 4.1283 9.1138 126.4051 54.1117 18.4531 177.7037 31 E 4.6561 7.9097 114.0856 55.1220 31.9855 174.1315 32 Y 5.1031 6.6015 116.9679 56.4063 40.8258 173.4747 33 A 4.3283 7.9850 120.1721 51.8041 21.2680 175.7679 34 A 4.2939 8.5803 123.5723 51.8658 19.4412 176.9552 35 H 4.8478 8.7050 119.1999 53.9351 31.0242 173.5008 36 E 4.6700 8.5189 122.8677 54.2896 33.1989 175.0545 37 V 4.1770 8.1116 120.7331 61.1384 33.6263 175.2937 38 L 4.4759 8.3818 126.0251 55.7226 42.8397 176.3863 39 S 4.7278 7.6251 110.3554 57.0222 65.1999 173.0807 40 W 5.3794 8.5242 134.1865 56.6071 33.2936 173.8281 41 S 4.8030 8.9488 119.7461 56.5618 65.5067 172.9438 42 F 4.8278 8.2021 122.2685 57.2710 42.2240 173.2851 43 H 4.4531 7.0763 125.2609 54.7063 32.5697 172.7024 44 S 4.4565 7.8807 120.3449 56.2024 65.8429 172.9453 45 E 4.3587 8.4021 121.8256 54.3609 31.9698 174.1611 46 L 4.5437 8.3320 127.9626 52.9960 43.4825 175.8790 47 S 4.2467 8.6452 122.9777 58.4109 63.4601 173.9337 48 G 3.7409 8.1723 113.6873 46.5560 0.0000 174.1339 *49 T 4.1319 8.5348 110.7195 60.9977 69.1821 169.9715 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 V 8.05 3.99 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 0.98 0.00 0.00 0.93 0.00 0.00 2 T 8.51 4.24 4.29 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 1.05 0.00 0.00 3 S 9.05 4.84 0.00 3.91 3.77 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 0.00 0.00 0.00 0.00 4 Y 8.49 4.72 0.00 2.91 2.89 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 5 T 8.38 4.77 4.27 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 1.23 0.00 0.00 6 L 8.22 4.71 0.00 1.61 1.49 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.18 4.69 0.00 3.97 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.48 0.00 2.62 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 9 V 8.21 3.96 2.08 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 0.83 0.00 0.00 0.93 0.00 0.00 10 V 8.16 4.32 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 0.93 0.00 0.00 0.94 0.00 0.00 11 S 8.44 4.50 0.00 4.09 4.01 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 0.00 0.00 0.00 12 L 8.45 3.92 0.00 1.70 1.78 0.93 0.94 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 13 K 8.12 3.76 0.00 1.73 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.54 7.81 14 D 7.99 4.65 0.00 2.81 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 15 V 7.70 4.12 2.08 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 0.80 0.00 0.00 0.99 0.00 0.00 16 V 7.30 4.37 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 0.80 0.00 0.00 0.98 0.00 0.00 17 P 0.00 4.61 0.00 2.33 2.06 0.00 3.71 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 2.06 2.13 0.00 18 E 8.82 4.00 0.00 2.03 1.85 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 2.28 2.35 0.00 19 W 8.03 4.72 0.00 3.25 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 4.68 2.10 0.00 0.00 0.00 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 0.94 0.00 0.00 21 R 8.39 4.72 0.00 1.76 1.79 0.00 3.16 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 22 I 7.68 4.47 1.77 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.63 0.72 0.00 0.00 23 G 7.13 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.26 4.97 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.34 4.67 0.00 3.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.12 4.60 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 4.74 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 1.19 0.00 0.00 28 T 8.27 4.96 4.54 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 1.34 0.00 0.00 29 G 8.43 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 0.00 0.00 0.00 0.00 30 A 9.11 4.13 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 31 E 7.91 4.66 0.00 1.98 1.71 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 2.23 2.24 0.00 32 Y 6.60 5.10 0.00 3.07 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 33 A 7.98 4.33 1.12 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 0.00 0.00 34 A 8.58 4.29 1.24 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 0.00 0.00 0.00 35 H 8.71 4.85 0.00 3.05 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.52 4.67 0.00 1.84 1.74 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 2.17 2.23 0.00 37 V 8.11 4.18 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 0.51 0.00 0.00 0.04 0.00 0.00 38 L 8.38 4.48 0.00 1.64 1.70 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.63 4.73 0.00 3.83 3.75 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 0.00 0.00 0.00 40 W 8.52 5.38 0.00 3.32 3.15 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 0.00 41 S 8.95 4.80 0.00 3.98 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 42 F 8.20 4.83 0.00 2.65 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 43 H 7.08 4.45 0.00 2.95 2.90 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.88 4.46 0.00 3.90 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.40 4.36 0.00 1.83 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 0.00 2.14 2.24 0.00 46 L 8.33 4.54 0.00 1.48 1.44 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.65 4.25 0.00 3.88 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 48 G 8.17 3.74 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 0.00 0.00 0.00 *49 T 8.53 4.13 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 * Residues marked with a * may have inaccurate shift predictions.