NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 K 4.3911 8.1685 122.0530 56.3340 33.8130 174.1687 15 A 5.2408 8.6445 127.8482 49.7625 22.1548 173.7467 16 I 4.5975 8.6598 120.3810 59.3640 41.6127 173.3775 17 V 4.4225 8.3935 125.9292 62.6200 32.0667 175.2142 18 V 4.6327 8.8375 120.0582 59.8020 36.3760 174.1421 19 Q 4.6627 9.1281 120.4626 53.6834 30.6094 175.7143 20 P 4.1266 0.0000 0.0000 66.3778 31.1832 178.4676 21 K 4.4053 7.8262 116.9694 54.4055 32.3444 179.3603 22 D 4.5037 8.0565 120.2566 55.5104 41.4106 176.5176 23 T 5.2352 8.1775 115.4703 60.6922 71.3063 176.0561 24 V 3.6675 8.1459 121.0658 65.7237 31.3344 178.0931 25 D 4.3315 8.0239 118.7430 56.6838 39.3049 178.7402 26 R 3.9149 7.9000 119.5683 58.6209 30.0545 179.1393 27 V 3.5523 7.9258 117.9211 65.6919 31.5402 177.6006 28 A 4.0475 8.4224 123.5501 56.0649 18.1788 180.4853 29 K 3.9630 7.8044 121.8901 59.8382 31.6973 180.9889 30 I 3.8927 7.6876 121.3094 64.2954 37.0798 178.3835 31 L 3.9787 8.0610 119.8353 58.0040 41.5288 179.9342 32 S 4.1886 8.0951 114.0767 61.5192 62.8628 176.6688 33 R 4.0262 8.0827 120.6935 58.1102 29.8198 177.6705 34 N 4.7267 7.7488 113.4334 51.4663 39.6732 174.7757 35 K 3.7581 7.7674 118.8788 57.7977 30.3536 174.4772 36 A 4.8316 8.4390 119.4005 50.4483 21.8995 176.9547 37 G 4.0180 8.6159 106.5845 46.8267 0.0000 173.9191 38 S 5.1709 8.0306 115.4669 56.4712 67.0892 172.9476 39 A 5.0709 9.3949 126.1507 50.2473 21.2285 175.6084 40 V 4.4212 8.6677 124.2018 62.0804 32.8085 175.9050 41 V 4.5507 8.4506 128.4047 61.3192 33.6803 174.8602 *43 E 4.3288 8.5959 123.6113 56.3477 30.9556 177.6225 44 G 3.9589 8.6050 118.1743 47.0919 0.0000 174.5235 45 D 4.4815 9.1796 124.7122 54.8036 41.4862 175.3919 46 E 4.3887 8.0837 121.0445 54.2327 30.4323 175.2786 47 I 4.1531 8.2455 127.7367 60.9958 37.3852 175.6884 48 L 4.1973 9.1222 127.7496 56.6191 42.3745 177.2511 49 G 4.2278 7.0718 104.0898 45.7257 0.0000 171.5561 50 V 4.9501 8.2764 118.0714 59.9902 34.7796 175.1954 51 V 4.6881 9.0348 122.7393 61.4433 34.6135 174.7007 52 T 4.9412 8.7921 117.3997 59.8420 71.6336 175.3987 53 E 4.0174 8.5184 121.3076 59.4503 29.2899 180.0741 54 R 3.9308 7.9253 117.8915 59.1829 30.1364 178.3032 55 D 4.3766 8.0467 118.7385 57.5994 40.9619 179.1028 56 I 3.6965 7.7928 119.8791 64.4386 37.0533 178.6192 57 L 3.9928 8.0240 119.6790 57.9254 41.2948 179.2043 58 D 4.3749 8.5063 117.7589 56.3828 41.0775 178.2109 59 K 4.3550 8.3151 117.2483 57.1423 32.9831 176.8339 60 V 4.2106 7.4803 115.5542 64.1806 33.4637 177.2651 61 V 3.5456 7.9164 116.7531 66.1846 31.4464 178.4243 62 A 3.9977 8.0325 120.0588 54.8035 18.3566 178.4534 63 K 4.0932 8.0036 112.9435 56.9529 32.4080 177.8624 64 G 3.9139 8.2081 107.3464 45.6163 0.0000 174.1494 65 K 4.1658 7.7878 118.4738 55.6020 32.9595 176.2281 66 N 4.6269 8.4906 120.4477 52.2021 39.5908 174.3706 67 P 4.3387 0.0000 0.0000 65.3809 31.7556 178.8404 68 K 4.4738 7.9748 116.0327 58.3887 32.0487 177.3201 69 E 4.4463 8.0244 116.1467 55.8070 29.9573 175.6086 70 V 4.3653 7.3528 119.7737 60.7861 33.9434 174.2980 71 K 4.8491 8.6366 126.5974 54.9347 33.5486 178.2583 72 V 3.7342 8.6368 117.1961 64.3512 31.7805 178.3627 73 E 3.9921 7.8938 116.7896 59.4413 29.1843 178.3667 74 E 4.1506 8.4447 118.2874 57.9182 29.6750 177.1315 75 I 4.3398 7.2060 112.0797 58.5372 37.4750 173.7637 *77 T 4.1897 7.8701 126.1966 64.2535 70.3755 173.8829 78 K 4.5203 8.6516 128.8096 54.9665 32.7240 174.0623 79 N 4.3453 8.6555 123.3188 53.1968 38.9338 172.9980 80 P 4.5155 0.0000 0.0000 63.9299 32.0187 177.0814 81 V 4.3167 7.9487 114.4799 61.5697 31.9482 176.5084 82 K 4.1141 8.0521 121.6869 54.8556 32.0809 180.3677 83 I 4.1770 8.2136 122.8941 60.7326 37.6006 175.4948 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 14 K 8.17 4.39 0.00 1.86 1.74 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.46 7.81 15 A 8.64 5.24 1.22 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 0.00 0.00 16 I 8.66 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.08 0.91 0.00 0.00 17 V 8.39 4.42 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 18 V 8.84 4.63 2.25 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 0.85 0.00 0.00 0.98 0.00 0.00 19 Q 9.13 4.66 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 20 P 0.00 4.13 0.00 2.35 2.33 0.00 3.68 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 2.08 2.11 0.00 21 K 7.83 4.41 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.02 7.81 22 D 8.06 4.50 0.00 2.80 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 23 T 8.18 5.24 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 24 V 8.15 3.67 2.27 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 1.13 0.00 0.00 1.00 0.00 0.00 25 D 8.02 4.33 0.00 2.91 2.91 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 26 R 7.90 3.91 0.00 2.02 2.02 0.00 3.12 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 27 V 7.93 3.55 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 1.08 0.00 0.00 0.96 0.00 0.00 28 A 8.42 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 3.96 0.00 1.72 1.83 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.35 7.81 30 I 7.69 3.89 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.32 0.91 0.00 0.00 31 L 8.06 3.98 0.00 1.84 1.87 0.92 0.87 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 32 S 8.10 4.19 0.00 4.06 4.11 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 33 R 8.08 4.03 0.00 1.90 2.04 0.00 3.30 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 34 N 7.75 4.73 0.00 2.78 2.83 0.00 0.00 7.16 8.94 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 35 K 7.77 3.76 0.00 2.13 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.23 7.81 36 A 8.44 4.83 1.22 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 0.00 0.00 37 G 8.62 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 5.17 0.00 3.74 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 39 A 9.39 5.07 1.21 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 0.00 0.00 40 V 8.67 4.42 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 0.99 0.00 0.00 0.93 0.00 0.00 41 V 8.45 4.55 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 1.04 0.00 0.00 0.93 0.00 0.00 *43 E 8.60 4.33 0.00 2.11 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 2.27 2.38 0.00 44 G 8.60 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 45 D 9.18 4.48 0.00 2.66 2.73 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 46 E 8.08 4.39 0.00 1.90 1.97 0.00 0.00 0.00 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 2.26 0.00 47 I 8.25 4.15 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.91 0.00 0.00 48 L 9.12 4.20 0.00 1.67 1.70 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.07 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 0.00 0.00 0.00 0.00 50 V 8.28 4.95 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 0.70 0.00 0.00 0.98 0.00 0.00 51 V 9.03 4.69 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 0.99 0.00 0.00 0.96 0.00 0.00 52 T 8.79 4.94 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 53 E 8.52 4.02 0.00 2.02 2.04 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 2.33 2.52 0.00 54 R 7.93 3.93 0.00 1.82 1.97 0.00 3.31 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 55 D 8.05 4.38 0.00 2.98 2.73 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 56 I 7.79 3.70 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.28 0.91 0.00 0.00 57 L 8.02 3.99 0.00 1.83 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.51 4.37 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.35 0.00 1.87 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 60 V 7.48 4.21 2.25 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 1.08 0.00 0.00 0.93 0.00 0.00 61 V 7.92 3.55 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 1.03 0.00 0.00 0.99 0.00 0.00 62 A 8.03 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 4.09 0.00 1.98 1.86 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.43 7.81 64 G 8.21 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 0.00 0.00 0.00 65 K 7.79 4.17 0.00 1.91 1.75 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.37 7.81 66 N 8.49 4.63 0.00 2.80 2.69 0.00 0.00 7.03 7.71 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 67 P 0.00 4.34 0.00 2.21 2.08 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 68 K 7.97 4.47 0.00 1.74 1.88 0.00 1.78 0.00 0.00 2.31 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.42 7.81 69 E 8.02 4.45 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 70 V 7.35 4.37 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 1.04 0.00 0.00 0.97 0.00 0.00 71 K 8.64 4.85 0.00 1.88 1.86 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.50 7.81 72 V 8.64 3.73 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 0.71 0.00 0.00 1.01 0.00 0.00 73 E 7.89 3.99 0.00 2.08 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 0.00 2.37 2.30 0.00 74 E 8.44 4.15 0.00 2.01 2.05 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 2.34 2.36 0.00 75 I 7.21 4.34 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.91 0.00 0.00 *77 T 7.87 4.19 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 78 K 8.65 4.52 0.00 1.54 1.60 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.01 7.81 79 N 8.66 4.35 0.00 2.88 2.81 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.52 0.00 2.22 2.14 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 81 V 7.95 4.32 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 0.68 0.00 0.00 0.97 0.00 0.00 82 K 8.05 4.11 0.00 1.77 1.61 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.04 7.81 83 I 8.21 4.18 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.23 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.