NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2793 8.1593 117.3759 62.9883 68.6419 173.3049 5 P 4.4623 0.0000 0.0000 60.9455 32.9259 173.9131 6 D 4.8625 8.5759 118.8167 53.9774 42.5731 176.9451 7 E 4.6498 9.6843 125.2112 54.3143 32.1759 174.6573 8 S 5.3689 8.3013 121.0622 57.0489 65.7015 172.9247 9 F 5.3283 9.3511 120.0020 55.8120 43.3829 173.8616 10 L 4.9237 9.2363 122.2522 53.7117 45.0540 174.3257 11 C 5.4877 8.9135 122.5524 55.5121 38.0082 172.5404 12 Y 4.9317 8.7609 124.6649 56.6370 39.9896 175.9231 *15 D 4.5259 8.6105 123.4618 54.3962 42.9400 175.2311 16 Q 4.5065 7.2979 113.6067 55.3534 31.1590 172.8365 17 V 4.7707 8.1302 117.2894 60.9966 33.9892 172.8508 18 C 6.0825 8.9916 124.8643 56.2821 42.6142 173.9405 *20 F 4.8634 8.5610 123.4571 58.5259 40.6082 173.8405 21 I 5.1248 8.3954 123.2513 59.9295 40.0262 173.9795 22 C 5.5426 9.8110 124.7035 55.2288 44.1078 173.3996 23 R 4.5542 8.4721 120.6995 55.0314 30.0249 175.2407 24 G 3.9554 10.2262 110.5818 44.6439 0.0000 170.0888 25 A 4.6478 7.4217 120.1070 50.6126 22.4415 175.2024 26 A 4.3185 7.9376 121.1658 48.9658 22.0051 174.4916 27 P 3.7768 0.0000 0.0000 62.5840 31.5764 176.6211 28 L 4.2345 7.8605 121.7642 53.2561 42.5128 174.9002 29 P 4.6440 0.0000 0.0000 62.2890 31.4639 177.4596 *31 E 4.2495 8.3002 116.6172 54.8932 31.7667 174.8398 32 G 3.6858 7.4702 103.9628 43.9835 0.0000 172.7877 33 E 4.6561 8.4603 123.3590 55.4908 29.8739 175.5943 34 C 5.6910 8.5549 123.6117 55.3744 42.6548 173.2222 35 N 5.3415 8.8040 118.0105 51.0347 43.2420 172.2957 36 P 4.3955 0.0000 0.0000 63.4298 31.9645 175.2168 37 H 4.6182 8.3588 120.9665 54.6081 33.2244 171.9183 38 P 4.2372 0.0000 0.0000 62.4741 31.7906 176.4782 39 T 3.6636 8.3053 117.1704 63.6338 68.9061 174.2872 40 A 3.8161 8.2510 129.4351 51.4841 18.7714 176.3954 41 P 4.2058 0.0000 0.0000 65.2556 31.4341 176.7880 42 W 4.7655 7.2891 114.3536 56.4569 28.5471 175.9614 43 A 4.6802 7.3226 119.7060 52.2070 18.7209 177.2074 *54 S 3.9908 7.8954 113.8187 60.3845 64.2823 170.7995 55 T 3.4185 8.0241 122.7270 64.1425 65.1020 172.0959 56 G 3.8698 7.9248 115.3116 45.9528 0.0000 170.0965 57 Q 5.1607 7.8967 119.3149 54.8247 32.2517 175.3608 58 C 4.5210 8.9153 122.5263 56.5844 42.0084 173.2674 59 R 4.4212 8.7123 122.8633 55.0694 29.8625 175.4887 60 T 4.4230 7.5984 120.6607 62.3492 71.9834 173.7570 61 T 5.0393 7.9617 118.0171 63.2993 72.2794 174.6939 62 C 4.8166 9.1601 124.5307 55.7604 42.8638 174.3784 63 I 4.0228 8.1442 120.1183 61.7515 36.9123 176.1133 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 4 T 8.16 4.28 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 1.23 0.00 0.00 5 P 0.00 4.46 0.00 2.25 2.06 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 6 D 8.58 4.86 0.00 2.59 2.65 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 0.00 0.00 0.00 0.00 7 E 9.68 4.65 0.00 1.97 1.89 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 1.47 1.89 0.00 8 S 8.30 5.37 0.00 3.89 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 9 F 9.35 5.33 0.00 2.93 3.05 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 10 L 9.24 4.92 0.00 1.72 1.52 0.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.91 5.49 0.00 3.18 3.16 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 0.00 0.00 0.00 0.00 12 Y 8.76 4.93 0.00 3.11 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *15 D 8.61 4.53 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.30 4.51 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 17 V 8.13 4.77 2.30 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 1.35 0.00 0.00 1.08 0.00 0.00 18 C 8.99 6.08 0.00 3.19 2.71 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 *20 F 8.56 4.86 0.00 3.25 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 5.12 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 0.95 0.00 0.00 22 C 9.81 5.54 0.00 3.12 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 23 R 8.47 4.55 0.00 1.86 1.84 0.00 3.40 0.00 0.00 3.49 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 24 G 10.23 3.96 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 0.00 0.00 0.00 25 A 7.42 4.65 1.19 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 0.00 0.00 26 A 7.94 4.32 0.96 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 0.00 0.00 27 P 0.00 3.78 0.00 1.33 0.49 0.00 2.20 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.09 0.00 28 L 7.86 4.23 0.00 1.56 1.55 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.64 0.00 1.99 2.07 0.00 3.69 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 *31 E 8.30 4.25 0.00 2.04 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 2.08 2.72 0.00 32 G 7.47 3.69 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 0.00 0.00 0.00 33 E 8.46 4.66 0.00 2.14 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 0.00 2.32 2.35 0.00 34 C 8.55 5.69 0.00 2.76 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 35 N 8.80 5.34 0.00 2.63 2.70 0.00 0.00 6.98 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 36 P 0.00 4.40 0.00 1.83 1.67 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 37 H 8.36 4.62 0.00 3.09 3.13 0.00 5.96 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.24 0.00 1.90 1.85 0.00 2.95 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.97 0.00 39 T 8.31 3.66 4.14 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 1.06 0.00 0.00 40 A 8.25 3.82 0.14 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 0.00 0.00 41 P 0.00 4.21 0.00 2.21 2.17 0.00 3.45 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 42 W 7.29 4.77 0.00 3.50 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.32 4.68 0.90 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 0.00 0.00 *54 S 7.90 3.99 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.02 3.42 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 56 G 7.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.90 5.16 0.00 1.17 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 1.16 1.51 0.00 58 C 8.92 4.52 0.00 2.84 2.94 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 59 R 8.71 4.42 0.00 1.71 1.91 0.00 3.28 0.00 0.00 3.31 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 60 T 7.60 4.42 3.05 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 1.06 0.00 0.00 61 T 7.96 5.04 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 1.24 0.00 0.00 62 C 9.16 4.82 0.00 2.98 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 63 I 8.14 4.02 1.89 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 1.33 0.54 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.