NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2834 8.3349 116.7824 56.6491 65.0854 171.2824 5 L 3.8886 8.5726 124.9014 52.6267 41.2336 172.5345 6 K 4.6890 9.2080 119.6247 56.9673 37.2351 177.1100 7 K 4.1501 8.3896 118.3955 57.8627 32.5880 176.3396 8 G 4.2246 7.8366 104.6279 43.8713 0.0000 172.5595 9 V 4.2576 8.1346 115.2950 61.4897 32.0779 175.1499 10 F 3.8422 8.3971 110.6099 57.6204 36.8980 175.2770 11 V 3.6201 7.2188 120.7207 61.1216 31.3793 175.7843 12 D 4.3628 8.6201 124.6754 55.1754 40.7965 176.5864 13 D 4.8003 8.6730 121.6559 54.6842 41.0313 177.0435 14 H 4.9012 7.8378 113.2930 55.6182 29.3951 175.6675 15 L 4.4375 7.4853 120.1939 56.9616 42.4648 178.6640 16 L 3.9362 7.6389 118.3048 57.8614 40.9987 179.0750 17 E 3.9960 7.8986 118.2330 58.7840 29.2800 178.3197 18 K 4.2681 7.8579 117.9626 57.5216 32.6528 177.4496 19 V 4.1241 7.7394 116.5111 62.8931 32.3357 176.9155 20 L 3.9639 8.3354 118.8427 56.9951 41.4734 177.8359 21 E 4.2740 7.5033 115.4226 57.0058 30.3244 176.9198 22 L 4.3940 7.2550 119.0684 55.0797 42.3229 177.1633 23 N 4.5003 7.5427 116.4812 54.2056 39.1675 175.6105 24 A 4.1864 7.4498 120.3110 52.7452 16.7100 175.6101 25 K 4.4020 8.4461 122.6710 55.9588 30.9268 177.6637 26 G 4.6867 7.1771 105.4402 46.0946 0.0000 174.7606 27 E 4.6894 7.6663 134.9250 56.5781 30.1653 176.9548 28 K 4.7844 8.2453 131.2938 56.1987 31.1364 178.8808 29 R 4.3499 8.4603 125.9977 57.2126 32.9434 173.1287 30 L 4.0306 8.1717 120.3350 55.7011 42.0814 175.7600 31 I 4.7519 8.1953 125.9472 58.9232 41.8591 173.8640 32 K 5.0097 8.4669 126.1152 55.0890 35.2692 175.1711 33 T 4.7677 8.1428 116.7866 60.8585 71.5393 173.3762 34 W 4.8250 9.2477 123.3732 56.6924 30.1977 177.6412 35 S 4.7377 7.6885 114.0865 57.2484 60.9820 173.9014 36 R 4.4956 7.8937 115.4884 56.8936 30.0080 177.9829 37 R 4.4783 7.9721 115.4138 56.8858 31.1176 176.2422 38 S 4.6555 7.8557 113.5527 57.5010 65.6701 172.9748 39 T 4.6842 7.5231 116.4343 62.0906 69.8889 175.1093 40 I 3.8176 8.0632 126.5935 61.2768 37.2004 176.2922 41 V 3.7895 8.3170 127.4602 61.3689 32.3026 173.7434 42 P 4.1816 0.0000 0.0000 63.9657 32.0956 175.1079 43 E 4.2077 8.9065 120.2037 56.9534 29.3952 176.0958 44 M 4.4397 7.5593 114.3654 55.8558 31.7494 176.3731 45 V 3.8287 7.1704 113.3547 63.0263 32.0779 175.3773 46 G 3.9856 8.4107 112.3928 43.7622 0.0000 173.5999 47 H 4.3946 7.2957 116.6598 54.7244 27.0072 173.6834 48 T 3.7321 8.0462 114.3740 61.7259 69.8528 173.3853 49 I 4.5182 7.5492 128.7287 59.0527 38.5709 175.5764 50 A 4.8446 8.5949 130.6575 51.4054 19.3563 176.2279 51 V 4.6216 8.3952 122.2286 61.1794 34.8980 173.6467 52 Y 4.9795 8.3437 128.1136 55.8501 39.4966 174.8159 53 N 4.8318 7.9179 120.8500 51.8421 38.5502 173.9616 54 G 4.0263 7.2044 109.0642 45.8978 0.0000 174.2396 55 K 4.2151 6.9885 118.4659 56.8629 33.9994 176.7758 56 Q 4.4958 6.7952 115.3949 55.4281 32.5100 172.0576 57 H 5.0979 8.7782 117.4167 54.6642 30.1994 175.2664 58 V 3.9344 8.3858 119.2647 59.3188 32.2101 176.1515 59 P 4.9078 0.0000 0.0000 62.2550 29.2293 177.3918 60 V 3.8302 7.6908 119.7008 63.1632 32.8965 176.1567 61 Y 4.5513 8.6094 124.0375 57.2536 40.9033 173.5288 62 I 4.4212 6.7785 122.3689 59.4270 41.5454 174.1277 63 T 4.8714 8.1949 122.1666 59.6485 70.8589 173.8763 64 E 4.0240 8.7723 120.7478 59.1184 29.7309 177.8642 65 N 4.3329 8.4208 116.6225 55.8208 38.6321 174.5877 66 M 4.6425 7.7552 115.4945 53.6595 31.3269 174.4077 67 V 4.2207 7.7158 123.1521 63.6764 34.3332 176.8159 68 G 3.7336 7.9969 112.5743 48.0083 0.0000 173.1400 69 H 4.6384 7.7551 117.1778 55.2714 29.2875 175.2052 70 K 5.3332 8.3026 120.5292 55.0848 33.0964 177.6537 71 L 4.6151 8.5414 117.7651 55.7538 41.4959 178.3393 72 G 3.9171 7.7116 107.9568 47.4706 0.0000 175.7362 73 E 3.9514 8.3049 119.3513 59.6056 29.4547 179.0102 74 F 4.2264 8.0477 113.9015 57.3580 38.6897 175.3323 75 A 4.4811 7.9200 124.4788 49.6744 20.8072 175.3150 76 P 4.3501 0.0000 0.0000 63.6199 31.9686 176.5387 77 T 4.1151 8.6074 113.4052 63.3355 69.6561 175.1995 78 R 4.6025 7.6142 119.0842 54.3674 32.1311 175.6904 79 T 4.3213 8.1940 117.1440 64.0261 70.2472 173.8470 80 Y 3.5157 8.5291 122.3656 58.3678 35.7151 168.6509 81 R 4.0340 7.3953 118.2294 55.7375 31.6741 177.6582 *82 G 3.7274 8.3956 107.0354 46.0458 0.0000 172.9001 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 S 8.33 4.28 0.00 3.87 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 5 L 8.57 3.89 0.00 1.94 2.04 1.04 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.21 4.69 0.00 1.82 1.87 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.41 7.81 7 K 8.39 4.15 0.00 1.77 1.92 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.50 7.81 8 G 7.84 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 0.00 0.00 0.00 0.00 9 V 8.13 4.26 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 0.89 0.00 0.00 0.92 0.00 0.00 10 F 8.40 3.84 0.00 3.28 3.08 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 0.00 0.00 0.00 11 V 7.22 3.62 1.87 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 0.60 0.00 0.00 0.85 0.00 0.00 12 D 8.62 4.36 0.00 2.63 2.32 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 13 D 8.67 4.80 0.00 2.70 2.66 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 14 H 7.84 4.90 0.00 3.26 3.39 0.00 5.50 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.49 4.44 0.00 1.82 1.68 0.92 0.54 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 16 L 7.64 3.94 0.00 1.70 1.68 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.90 4.00 0.00 2.12 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 2.31 2.32 0.00 18 K 7.86 4.27 0.00 1.90 1.80 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.53 7.81 19 V 7.74 4.12 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 0.81 0.00 0.00 0.92 0.00 0.00 20 L 8.34 3.96 0.00 1.82 1.67 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.50 4.27 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 22 L 7.26 4.39 0.00 1.78 1.56 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.54 4.50 0.00 2.70 2.95 0.00 0.00 7.11 7.81 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 24 A 7.45 4.19 1.29 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 0.00 0.00 25 K 8.45 4.40 0.00 2.09 2.08 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.41 7.81 26 G 7.18 4.69 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 27 E 7.67 4.69 0.00 1.96 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 2.31 2.39 0.00 28 K 8.25 4.78 0.00 1.75 1.03 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.38 7.81 29 R 8.46 4.35 0.00 1.83 2.00 0.00 3.11 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 30 L 8.17 4.03 0.00 1.68 1.69 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.20 4.75 1.84 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 1.21 1.31 0.97 0.00 0.00 32 K 8.47 5.01 0.00 1.49 1.17 0.00 1.46 0.00 0.00 1.51 0.00 0.00 2.67 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.14 1.29 7.81 33 T 8.14 4.77 4.31 0.00 0.00 0.00 0.00 0.00 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 34 W 9.25 4.83 0.00 3.36 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 35 S 7.69 4.74 0.00 3.99 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 36 R 7.89 4.50 0.00 2.08 2.14 0.00 3.40 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 37 R 7.97 4.48 0.00 2.08 2.19 0.00 3.28 0.00 0.00 3.49 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 38 S 7.86 4.66 0.00 3.77 4.03 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 39 T 7.52 4.68 3.94 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 1.26 0.00 0.00 40 I 8.06 3.82 2.08 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 1.06 0.68 0.87 0.00 0.00 41 V 8.32 3.79 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 0.95 0.00 0.00 0.85 0.00 0.00 42 P 0.00 4.18 0.00 2.06 1.97 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 43 E 8.91 4.21 0.00 2.13 2.19 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 2.23 2.29 0.00 44 M 7.56 4.44 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 45 V 7.17 3.83 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 0.62 0.00 0.00 0.95 0.00 0.00 46 G 8.41 3.99 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 0.00 0.00 0.00 47 H 7.30 4.39 0.00 3.28 3.19 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.05 3.73 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 1.19 0.00 0.00 49 I 7.55 4.52 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.88 0.00 0.00 50 A 8.59 4.84 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 51 V 8.40 4.62 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 1.11 0.00 0.00 1.02 0.00 0.00 52 Y 8.34 4.98 0.00 2.25 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 53 N 7.92 4.83 0.00 2.78 2.74 0.00 0.00 6.30 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 54 G 7.20 4.03 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 0.00 55 K 6.99 4.22 0.00 1.58 1.58 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.40 7.81 56 Q 6.80 4.50 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 57 H 8.78 5.10 0.00 3.04 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.39 3.93 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 0.78 0.00 0.00 0.96 0.00 0.00 59 P 0.00 4.91 0.00 2.09 2.13 0.00 3.78 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 60 V 7.69 3.83 2.14 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 0.79 0.00 0.00 0.98 0.00 0.00 61 Y 8.61 4.55 0.00 3.09 2.82 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 62 I 6.78 4.42 1.61 0.00 0.00 0.47 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 0.98 0.66 0.00 0.00 63 T 8.19 4.87 4.43 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 1.35 0.00 0.00 64 E 8.77 4.02 0.00 2.11 2.07 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 2.29 2.35 0.00 65 N 8.42 4.33 0.00 2.75 3.01 0.00 0.00 6.81 7.66 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 66 M 7.76 4.64 0.00 2.17 1.82 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.63 0.00 67 V 7.72 4.22 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 1.03 0.00 0.00 0.96 0.00 0.00 68 G 8.00 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 0.00 0.00 0.00 69 H 7.76 4.64 0.00 3.77 3.35 0.00 5.61 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 70 K 8.30 5.33 0.00 1.97 2.02 0.00 2.34 0.00 0.00 2.00 0.00 0.00 3.33 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.65 1.53 7.81 71 L 8.54 4.62 0.00 1.87 1.77 0.98 0.83 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 72 G 7.71 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 73 E 8.30 3.95 0.00 1.43 1.46 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 2.30 2.30 0.00 74 F 8.05 4.23 0.00 3.05 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 75 A 7.92 4.48 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 76 P 0.00 4.35 0.00 2.17 2.06 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 77 T 8.61 4.12 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 1.20 0.00 0.00 78 R 7.61 4.60 0.00 1.82 1.90 0.00 3.20 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 79 T 8.19 4.32 4.28 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 0.00 0.00 0.00 1.25 0.00 0.00 80 Y 8.53 3.52 0.00 3.00 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 81 R 7.40 4.03 0.00 1.78 1.79 0.00 3.44 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 *82 G 8.40 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.