NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.1889 8.1133 119.6789 56.0191 31.4606 174.3047 6 E 4.7200 8.4071 122.1425 54.8991 31.5605 174.0754 7 G 4.1611 8.3633 107.7539 46.1005 0.0000 171.2522 8 T 5.1061 8.2534 109.5289 59.6615 71.9294 172.9992 9 L 4.9003 8.8520 127.4979 54.4658 43.6553 175.3203 10 F 5.3967 8.8193 120.0485 55.6263 42.0082 172.5355 11 Y 3.6295 8.7566 121.7360 56.9966 40.0163 173.6337 12 D 4.8754 8.0941 128.3000 52.7084 41.2481 177.0221 13 T 3.6842 8.2978 117.0205 63.8572 68.9784 175.5534 14 E 4.1154 8.0393 121.4960 58.2637 29.6360 177.3590 15 T 4.3577 7.2622 105.3879 59.9352 70.2188 174.8656 16 G 3.9013 8.2622 110.1330 45.8197 0.0000 172.8942 17 R 4.4803 7.0575 118.3288 54.1116 34.0198 174.4405 18 Y 4.1418 7.1572 117.0513 57.1846 39.9720 174.3684 19 D 4.8522 8.3926 121.2385 52.6746 45.9821 173.6213 20 I 4.7436 7.9929 120.2608 59.2333 40.6236 174.7478 21 R 4.4713 9.0323 127.9764 55.0816 30.7387 176.7574 22 F 4.4683 8.6421 126.4966 59.6035 39.4913 175.1524 23 D 4.8645 7.3370 117.8492 52.0819 44.8135 175.3470 24 L 3.9061 8.6758 120.6078 58.3254 41.7195 178.0794 25 E 4.6912 7.8333 115.3659 55.9486 30.8701 174.9894 26 S 4.6926 7.3312 113.5407 56.3591 64.4858 172.8423 27 F 5.3803 8.5538 125.0724 55.6085 42.5108 174.5314 28 Y 4.4396 8.8753 125.0996 60.7367 38.6831 177.0412 29 G 3.9179 8.9135 106.2209 45.0538 0.0000 173.8582 30 G 3.7870 8.6789 107.3191 45.7406 0.0000 173.7811 31 L 4.7001 8.4365 125.5610 54.5379 42.8504 176.1815 32 H 5.0674 9.8521 119.7235 53.5953 31.4846 173.8456 33 C 4.5507 8.8203 119.0221 62.0667 28.2877 174.6426 34 G 4.0719 9.1672 113.3925 44.4248 0.0000 173.6721 35 E 4.3968 8.1734 120.3275 56.4058 30.5142 175.8652 36 C 5.1831 8.2404 118.1711 56.7975 32.8018 172.3734 37 F 4.6631 7.6887 113.9287 57.0045 41.2043 171.8744 38 D 5.4623 8.7102 118.3728 52.7031 43.6204 175.9850 39 V 4.6846 8.6122 121.6319 61.0324 34.4770 174.6420 40 K 4.9197 9.0243 128.1640 55.9825 33.0340 176.7700 41 V 4.3214 8.7034 125.4103 61.6874 34.4314 176.1167 42 K 4.0473 8.6385 129.4702 58.0588 30.2070 176.9202 43 D 5.0633 8.8880 123.6497 54.6195 41.6758 175.1887 44 V 4.3962 7.7793 116.7942 61.0374 35.8366 173.8223 45 W 5.3581 8.6397 125.7849 55.4240 30.5892 175.5482 46 V 4.4208 9.0843 126.4256 60.4893 32.7455 173.1521 47 P 5.0367 0.0000 0.0000 62.5094 32.2366 175.8375 48 V 4.6768 8.7385 116.1879 59.6707 36.9826 174.1472 49 R 4.6631 8.3004 120.9307 54.7929 33.4512 173.5870 50 I 4.4551 8.3604 126.9554 59.7203 39.6304 172.8597 51 E 4.9156 8.6761 130.8669 55.4889 33.5569 176.2323 *53 G 4.1329 9.0080 117.0058 46.6498 0.0000 174.4331 54 D 4.3959 9.1566 125.0702 56.4616 41.1718 174.8352 55 D 4.4891 7.4573 115.8152 52.4337 44.2068 174.2251 56 W 4.7128 8.5179 121.6314 57.3967 29.6389 175.1317 57 Y 4.9907 8.6787 118.8657 56.1806 41.8092 173.0747 58 L 4.8911 8.5285 119.6124 52.9129 44.6417 175.8054 59 V 3.9387 8.8124 125.1115 63.2706 32.0838 176.2782 60 G 3.9987 9.2236 115.3760 45.6286 0.0000 173.4487 61 L 4.2077 7.3905 120.8453 54.1635 44.6931 174.5367 62 N 4.7492 8.7692 125.1822 52.0712 38.0558 174.7438 63 V 4.5868 7.8915 122.2454 59.1244 34.5904 176.0125 64 S 4.3163 8.8337 116.9760 61.2323 62.8778 174.8240 65 R 4.7271 7.3846 113.9753 54.4386 31.9036 174.8696 66 L 4.0724 8.4481 119.4129 56.9694 42.1363 177.1481 67 D 4.5323 8.1738 118.4860 56.1749 40.9335 176.9607 68 G 4.0373 9.1825 112.4807 45.1269 0.0000 173.6110 69 L 4.2313 7.5145 120.4796 54.8638 43.0469 176.4162 70 R 4.7523 8.5324 121.2447 55.7909 31.8866 175.9594 71 V 5.0911 8.7660 116.0827 59.9206 37.2615 175.8241 72 R 4.8523 8.4164 116.8653 56.7912 29.4671 175.0560 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 R 8.11 4.19 0.00 1.37 1.39 0.00 2.27 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.00 6 E 8.41 4.72 0.00 2.03 1.84 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 2.04 2.28 0.00 7 G 8.36 4.16 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 0.00 0.00 0.00 8 T 8.25 5.11 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 1.20 0.00 0.00 9 L 8.85 4.90 0.00 1.64 1.55 0.65 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.82 5.40 0.00 3.22 3.12 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 11 Y 8.76 3.63 0.00 2.73 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 12 D 8.09 4.88 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.30 3.68 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 14 E 8.04 4.12 0.00 1.95 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 0.00 2.26 2.26 0.00 15 T 7.26 4.36 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 1.17 0.00 0.00 16 G 8.26 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 0.00 0.00 0.00 17 R 7.06 4.48 0.00 1.42 1.40 0.00 3.00 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 18 Y 7.16 4.14 0.00 2.43 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.39 4.85 0.00 2.17 1.54 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 20 I 7.99 4.74 1.20 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.14 0.07 0.00 0.00 21 R 9.03 4.47 0.00 1.91 1.74 0.00 2.94 0.00 0.00 3.06 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.00 22 F 8.64 4.47 0.00 3.04 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.34 4.86 0.00 2.58 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 24 L 8.68 3.91 0.00 1.53 1.67 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.83 4.69 0.00 1.94 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 2.20 2.22 0.00 26 S 7.33 4.69 0.00 3.76 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.55 5.38 0.00 3.10 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 28 Y 8.88 4.44 0.00 2.81 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 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 30 G 8.68 3.79 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 0.00 0.00 0.00 31 L 8.44 4.70 0.00 1.43 1.54 0.60 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 H 9.85 5.07 0.00 3.25 3.30 0.00 5.83 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.82 4.55 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.17 4.07 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 0.00 0.00 0.00 35 E 8.17 4.40 0.00 2.17 1.99 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 0.00 2.44 2.55 0.00 36 C 8.24 5.18 0.00 2.93 2.81 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 0.00 0.00 0.00 37 F 7.69 4.66 0.00 3.21 3.03 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 38 D 8.71 5.46 0.00 2.46 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 39 V 8.61 4.68 2.12 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 0.84 0.00 0.00 1.04 0.00 0.00 40 K 9.02 4.92 0.00 1.72 1.88 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.63 1.75 7.81 41 V 8.70 4.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 42 K 8.64 4.05 0.00 1.98 0.95 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.40 7.81 43 D 8.89 5.06 0.00 2.59 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 44 V 7.78 4.40 2.21 0.00 0.00 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 0.89 0.00 0.00 45 W 8.64 5.36 0.00 3.34 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 46 V 9.08 4.42 2.12 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 1.02 0.00 0.00 0.98 0.00 0.00 47 P 0.00 5.04 0.00 2.09 2.06 0.00 3.40 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 48 V 8.74 4.68 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 0.73 0.00 0.00 0.16 0.00 0.00 49 R 8.30 4.66 0.00 1.73 1.59 0.00 3.06 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 50 I 8.36 4.46 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 1.02 0.00 0.00 51 E 8.68 4.92 0.00 1.16 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 2.00 2.28 0.00 *53 G 9.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.16 4.40 0.00 2.64 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 55 D 7.46 4.49 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.52 4.71 0.00 3.59 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 57 Y 8.68 4.99 0.00 3.11 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 58 L 8.53 4.89 0.00 1.58 1.49 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.81 3.94 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 0.93 0.00 0.00 0.97 0.00 0.00 60 G 9.22 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.39 4.21 0.00 1.67 1.51 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.77 4.75 0.00 2.76 2.79 0.00 0.00 6.94 7.68 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 63 V 7.89 4.59 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 1.01 0.00 0.00 64 S 8.83 4.32 0.00 4.01 4.07 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 65 R 7.38 4.73 0.00 2.11 1.93 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 66 L 8.45 4.07 0.00 1.15 1.13 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.17 4.53 0.00 2.78 2.81 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 0.00 0.00 0.00 68 G 9.18 4.04 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 0.00 0.00 0.00 69 L 7.51 4.23 0.00 1.58 1.63 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.53 4.75 0.00 1.80 1.85 0.00 3.10 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 71 V 8.77 5.09 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 0.79 0.00 0.00 0.68 0.00 0.00 72 R 8.42 4.85 0.00 1.45 1.48 0.00 2.21 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.00 0.00 * Residues marked with a * may have inaccurate shift predictions.