NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6225 8.2785 119.2034 53.1816 40.0934 174.5247 0 A 3.8296 8.7479 128.4871 53.9179 18.3204 177.6918 1 T 3.8243 8.1385 108.1355 64.6950 69.1578 174.7099 2 K 3.8667 8.2876 122.3840 59.6298 32.2588 178.5478 3 T 3.8944 8.3174 116.3267 67.0566 68.4745 176.5034 4 I 3.7083 7.9214 121.2471 64.5490 37.1030 177.8485 5 H 4.1019 8.4319 119.3846 59.5952 29.6618 177.0818 6 N 4.4552 8.7152 118.3012 56.1522 38.2350 177.3540 7 A 4.0257 7.9126 122.0862 55.0775 18.3761 179.9471 8 R 3.8183 8.0939 116.7410 59.4135 30.1190 178.6133 9 Y 3.7779 8.3081 119.8590 60.6375 38.6894 177.8989 10 Q 3.8733 8.3774 120.3761 58.9974 29.0807 177.9489 11 A 3.9113 8.1685 122.0665 54.9294 18.2991 179.1800 12 L 3.7597 7.9466 119.0335 58.3986 41.9978 179.2873 13 L 3.7742 7.5856 118.6680 57.7818 41.4387 179.2051 14 D 4.3252 8.2997 119.1282 57.4590 40.7846 178.9567 15 L 4.0061 8.1278 119.5529 57.7222 41.5127 179.5650 16 L 4.0952 8.2681 119.3978 57.5797 41.4418 179.3706 17 L 3.9625 8.2658 120.6697 58.0436 42.0078 178.2766 18 E 3.8815 8.3816 119.2547 59.5010 29.3871 178.9017 19 A 3.9594 8.0531 120.4338 55.1336 18.0312 179.5366 20 R 3.7868 8.2599 117.5465 59.5579 30.1285 178.6801 21 S 4.0908 8.3908 112.8822 61.3971 62.2191 175.9060 22 A 3.9930 8.0312 122.1196 55.1789 18.2133 179.1931 23 A 4.1258 8.1093 117.9381 53.0271 18.3847 178.4721 24 G 3.8400 7.8012 105.1874 45.9101 0.0000 173.3562 25 I 4.4525 7.0551 110.9454 58.6564 39.9442 176.0633 26 T 4.3107 7.9987 112.8966 60.9744 71.1988 175.8364 27 Q 3.9824 8.4310 119.4017 59.1580 28.7369 179.1620 28 K 3.9524 8.0330 118.9770 59.3534 32.0864 178.9161 29 E 3.8997 8.3668 119.7123 59.1300 29.6170 178.5472 30 L 3.8338 8.0157 120.2107 57.9803 42.0827 178.7074 31 A 3.9781 8.3174 120.8019 55.2251 18.2871 179.4508 32 A 3.9336 8.0494 119.1686 55.4550 18.2229 180.1128 33 R 3.8866 7.8298 115.5220 59.0708 30.1684 178.6878 34 L 4.2353 7.7088 117.3889 54.6139 41.8758 177.2963 35 G 3.8276 7.6413 106.1235 46.5687 0.0000 173.4267 36 R 4.6417 7.5426 116.7014 52.7858 33.8304 174.0882 37 P 4.4790 0.0000 0.0000 62.3120 32.1303 177.5364 38 Q 4.0744 8.8437 121.4935 59.5975 28.6847 179.0992 39 S 4.3342 8.1526 116.1049 60.6686 62.8841 176.1030 40 F 4.1450 8.2968 124.2194 61.2531 39.1216 177.3730 41 V 3.7748 7.9932 117.5014 66.0903 31.3902 178.0133 42 S 4.1687 8.4571 114.4630 61.5046 62.8452 176.6232 43 K 4.7983 8.2777 123.6261 58.7165 31.7136 179.5342 44 T 3.9474 7.5508 117.4554 66.2522 68.1477 176.5837 45 E 4.0758 8.1752 119.1964 58.5097 29.6838 177.9323 46 N 4.7571 8.3210 115.9340 51.9227 37.5363 175.2173 47 A 3.6612 7.3923 120.5427 53.9150 16.6667 178.9119 48 E 4.3570 8.4032 118.1792 58.2692 30.0111 176.7095 49 R 4.4633 7.4462 119.3457 54.2758 32.8675 173.5698 50 R 4.2637 8.4423 125.7247 55.4790 30.9593 175.5706 51 L 4.4177 8.8468 126.3522 54.4271 42.4980 177.4219 52 D 4.7877 9.3298 124.3812 52.2368 41.8600 178.0523 53 V 3.6979 8.2378 119.6022 65.1145 31.2628 178.1102 54 I 3.9119 7.8029 118.8768 64.1962 37.3013 177.6261 55 E 4.3229 9.0694 119.8242 59.3852 29.2223 179.8875 56 F 4.2925 8.7923 117.8572 60.2863 39.3426 176.7514 58 D 3.9578 8.0152 115.4960 56.1101 41.3096 176.6281 59 F 3.9866 8.5182 124.8755 61.4493 39.2739 176.7950 60 C 3.9903 7.9622 116.2704 63.0649 27.7173 176.3863 61 R 3.9921 7.8828 117.5477 59.1622 29.7307 178.8261 62 G 3.6885 8.1791 104.8628 48.0035 0.0000 175.5427 63 I 3.8445 7.4105 121.3422 62.2952 37.0668 177.3957 64 G 3.9683 8.2755 107.0086 45.4102 0.0000 172.7585 65 T 4.4634 7.3416 112.5398 59.8529 69.5388 173.9635 66 D 4.5916 8.3774 125.5112 53.2882 42.1174 175.5029 67 P 4.1936 0.0000 0.0000 65.7262 31.3997 178.3171 68 Y 4.1051 8.2231 115.5883 60.9862 37.7083 178.3554 69 A 4.0926 8.3086 121.3702 54.8767 18.4872 179.3146 70 L 3.9230 8.1926 118.9507 58.3844 42.2201 179.0790 71 L 3.9821 8.2707 119.1115 57.9808 41.4809 179.7818 72 S 4.1309 8.1685 114.9784 61.4071 62.5840 176.4569 73 K 3.8535 7.9992 121.1117 59.4669 31.9762 178.1126 74 L 4.0714 7.9009 119.1475 58.2538 42.1291 178.3434 75 E 4.0991 8.2971 117.1012 59.0262 30.8579 179.0770 76 A 4.2817 7.5998 120.1565 50.9734 14.7212 175.5827 *78 T 4.1126 7.0501 113.5421 59.9241 70.7176 173.2156 79 P 4.3523 0.0000 0.0000 64.9866 31.4585 176.9562 80 S 4.3855 7.9187 115.6432 58.2606 63.1562 173.6674 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 N 8.28 4.62 0.00 2.73 2.77 0.00 0.00 6.95 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.75 3.83 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 3.82 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 2 K 8.29 3.87 0.00 2.10 1.89 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.49 7.81 3 T 8.32 3.89 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 1.21 0.00 0.00 4 I 7.92 3.71 2.00 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 1.04 0.91 0.00 0.00 5 H 8.43 4.10 0.00 3.17 3.51 0.00 5.59 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 6 N 8.72 4.46 0.00 2.77 2.88 0.00 0.00 6.96 6.62 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 7 A 7.91 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 3.82 0.00 1.98 1.94 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 9 Y 8.31 3.78 0.00 2.82 2.99 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 0.00 0.00 0.00 10 Q 8.38 3.87 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 11 A 8.17 3.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.76 0.00 1.60 1.45 0.56 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.59 3.77 0.00 1.78 1.58 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.30 4.33 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 L 8.13 4.01 0.00 1.85 1.73 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.27 4.10 0.00 1.81 1.86 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.27 3.96 0.00 1.76 1.81 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.38 3.88 0.00 2.19 2.15 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 2.32 2.36 0.00 19 A 8.05 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.26 3.79 0.00 1.90 1.97 0.00 3.07 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 21 S 8.39 4.09 0.00 3.92 4.06 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 0.00 0.00 0.00 0.00 22 A 8.03 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.80 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 0.00 0.00 0.00 25 I 7.06 4.45 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.93 0.00 0.00 26 T 8.00 4.31 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 27 Q 8.43 3.98 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 28 K 8.03 3.95 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.51 7.81 29 E 8.37 3.90 0.00 1.98 1.90 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 2.29 2.44 0.00 30 L 8.02 3.83 0.00 1.67 1.69 0.62 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.32 3.98 1.49 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 0.00 0.00 32 A 8.05 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.89 0.00 1.88 1.95 0.00 3.12 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.95 0.00 34 L 7.71 4.24 0.00 1.72 1.59 0.98 0.89 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 35 G 7.64 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.54 4.64 0.00 1.61 1.61 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.44 0.00 37 P 0.00 4.48 0.00 2.25 2.00 0.00 3.64 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 2.15 2.09 0.00 38 Q 8.84 4.07 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 39 S 8.15 4.33 0.00 4.14 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 40 F 8.30 4.14 0.00 3.22 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.77 2.29 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 1.13 0.00 0.00 1.10 0.00 0.00 42 S 8.46 4.17 0.00 4.09 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 0.00 43 K 8.28 4.80 0.00 1.87 1.86 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.46 7.81 44 T 7.55 3.95 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 0.55 0.00 0.00 45 E 8.18 4.08 0.00 1.97 2.03 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 2.43 2.63 0.00 46 N 8.32 4.76 0.00 2.98 3.02 0.00 0.00 6.76 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.39 3.66 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 4.36 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 49 R 7.45 4.46 0.00 1.74 1.61 0.00 3.20 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 50 R 8.44 4.26 0.00 1.61 1.68 0.00 2.88 0.00 0.00 2.82 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 0.00 51 L 8.85 4.42 0.00 1.81 1.71 0.66 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 D 9.33 4.79 0.00 2.96 2.85 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 0.00 0.00 0.00 53 V 8.24 3.70 2.11 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 0.86 0.00 0.00 0.99 0.00 0.00 54 I 7.80 3.91 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.85 0.95 0.00 0.00 55 E 9.07 4.32 0.00 2.39 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 56 F 8.79 4.29 0.00 3.15 3.27 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 0.00 58 D 8.02 3.96 0.00 3.04 3.09 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 0.00 0.00 0.00 0.00 59 F 8.52 3.99 0.00 3.38 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 60 C 7.96 3.99 0.00 2.69 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.88 3.99 0.00 1.86 1.97 0.00 3.36 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 62 G 8.18 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 63 I 7.41 3.84 1.94 0.00 0.00 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 1.33 0.39 0.93 0.00 0.00 64 G 8.28 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.34 4.46 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 1.24 0.00 0.00 66 D 8.38 4.59 0.00 2.80 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 67 P 0.00 4.19 0.00 1.81 1.69 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 68 Y 8.22 4.11 0.00 3.17 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 69 A 8.31 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.19 3.92 0.00 1.91 1.97 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.27 3.98 0.00 1.93 1.73 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.17 4.13 0.00 4.10 3.95 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 73 K 8.00 3.85 0.00 1.95 1.96 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 74 L 7.90 4.07 0.00 1.62 1.84 0.91 1.21 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 75 E 8.30 4.10 0.00 2.08 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 2.34 2.50 0.00 76 A 7.60 4.28 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *78 T 7.05 4.11 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 1.20 0.00 0.00 79 P 0.00 4.35 0.00 2.06 2.16 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 80 S 7.92 4.39 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.