NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 Q 4.4775 8.3293 119.1223 54.9880 29.7514 176.2094 1 C 4.9337 7.8490 127.8455 52.9868 42.2401 173.2663 2 Y 5.0159 8.9676 115.0900 55.2450 41.5298 174.6002 3 H 5.0459 8.8204 115.4307 53.5556 32.8157 175.9593 4 G 3.9753 8.9931 110.1967 47.2068 0.0000 174.1281 5 N 4.6288 8.9996 121.8099 52.1620 37.7293 174.9374 6 G 4.4582 8.4686 106.9421 47.1542 0.0000 174.7805 7 Q 4.1688 7.9004 117.0866 57.5987 29.6675 178.1988 8 S 4.6202 7.9630 112.0616 58.1691 63.2725 173.2059 9 Y 4.4963 7.8436 123.6329 57.9151 38.8610 176.0760 10 R 4.3657 7.8780 128.8810 55.7003 31.1576 174.4253 11 G 3.8084 6.2896 105.2281 43.3931 0.0000 173.2511 12 T 2.7168 7.8098 105.9471 60.4693 69.0865 174.1228 13 F 4.0858 8.1668 124.9812 58.8379 40.2731 175.3038 14 S 4.7919 7.5807 119.9459 58.2965 65.3643 172.6321 15 T 5.0861 7.6637 117.0302 62.6196 70.8133 174.3366 16 T 4.9251 8.5304 115.8139 60.0978 70.3948 176.1827 17 V 4.4310 8.6639 114.9584 63.7323 31.6253 177.1320 18 T 4.3415 8.0355 113.2279 61.4061 67.0575 176.1168 19 G 4.0263 8.4322 107.3694 45.5460 0.0000 174.7706 20 R 4.2607 7.4822 118.8792 56.5575 31.6717 175.6192 21 T 4.9170 8.2632 116.6580 62.0845 71.5208 174.6164 22 C 4.9415 8.3400 121.8080 56.6351 41.4059 173.0453 23 Q 4.3118 7.9446 124.6938 54.9691 29.0750 175.6810 24 S 4.2171 8.6985 122.2822 59.1649 63.4784 175.8415 25 W 4.1301 9.4765 123.7560 59.2324 29.2325 178.0467 26 S 4.3675 8.1776 114.1485 60.9725 62.7033 174.9861 27 S 4.1819 7.4948 114.9145 58.7952 62.3873 173.2747 28 M 4.4735 8.5675 126.7659 55.1369 31.9313 175.7456 29 T 4.6215 7.3734 108.1283 59.2169 71.8259 172.3046 30 P 4.2342 0.0000 0.0000 65.2829 31.6453 176.4675 31 H 4.7125 7.8477 114.3350 54.0144 30.0358 174.5363 32 R 4.2816 8.2691 120.8509 55.2886 30.5626 175.1840 33 H 4.8669 8.0448 115.7584 54.8907 31.5063 172.7950 34 Q 4.6033 8.7691 115.5186 55.8867 29.6237 176.9154 35 R 4.2547 7.9906 121.6115 55.0774 29.0093 174.9989 *37 T 4.5413 7.1263 109.8830 60.8464 70.2525 173.9018 38 P 4.4101 0.0000 0.0000 64.9976 31.4552 177.5063 39 E 4.6938 8.1192 113.7949 55.9315 30.0603 175.9301 40 N 4.6496 8.6847 116.3989 54.1892 41.5720 174.3160 41 Y 4.4890 7.3148 114.8342 54.9016 38.1768 173.9941 42 P 4.6565 0.0000 0.0000 63.9115 32.1252 176.7164 43 N 5.1124 7.5699 114.4785 53.3789 38.9443 174.4632 44 D 4.7104 7.8419 113.8637 53.3593 42.5133 176.8543 45 G 4.0273 8.4759 104.6118 46.3535 0.0000 174.8970 46 L 3.7307 6.9545 117.5847 54.6560 40.3884 177.6579 47 T 4.3925 7.6085 116.3701 64.3339 71.8279 176.1013 48 M 3.0098 8.5764 124.4934 56.5019 31.6940 178.1698 49 N 4.7303 8.3321 123.0629 52.7759 38.7414 174.1347 50 Y 4.8420 7.2890 116.7726 58.8953 38.8164 175.7357 51 C 5.1832 9.0797 120.6672 57.1259 39.2370 173.2143 52 R 4.5957 8.7121 121.7110 53.7530 34.1134 174.7546 53 N 4.8340 7.6019 114.8478 51.5512 38.7390 172.9783 54 P 4.2821 0.0000 0.0000 64.8707 31.8973 177.2857 55 D 4.8332 7.4411 118.3241 52.7531 39.6483 175.1922 56 A 4.0142 8.2063 117.8847 53.8044 16.3328 178.5024 57 D 4.7913 9.6964 124.7911 56.0584 42.7026 176.8495 58 T 4.3519 9.7942 119.8948 63.7484 68.8117 174.1852 *60 G 3.6199 7.6424 109.0902 44.0675 0.0000 171.5085 61 P 4.5255 0.0000 0.0000 62.5779 32.7719 176.6608 62 W 4.9401 9.0796 120.0632 56.4967 29.3269 171.4921 63 C 5.2275 7.8574 116.5203 55.3991 40.1497 174.3163 64 F 4.7233 7.3764 119.8802 57.8895 40.4000 173.9231 65 T 4.8291 8.7000 116.2758 61.9927 71.1702 174.6967 66 M 4.1426 8.6689 123.5240 58.3877 33.1640 176.0758 67 D 4.4375 8.1245 118.8783 53.3597 41.2632 174.7248 68 P 4.2890 0.0000 0.0000 65.1086 31.6421 177.7489 69 S 4.3790 8.0031 113.2006 59.6361 63.4410 174.2340 70 I 4.2523 7.3914 121.4163 59.4861 37.3539 175.3604 71 R 3.5674 8.4372 127.0985 58.5328 30.3870 176.4817 72 R 5.1175 7.1601 112.0861 53.8489 32.9059 172.7327 73 E 4.6645 7.9708 114.6754 55.8141 33.4486 176.4865 74 Y 4.2911 8.1726 119.5054 58.2951 39.6588 175.2646 75 C 5.2332 8.7747 116.0081 54.9061 44.9568 174.8111 76 N 4.6227 8.4757 120.0623 53.2851 37.0982 174.0734 77 L 4.8106 7.2367 118.4271 53.0609 45.4188 178.0951 78 T 4.1621 8.1036 116.8947 61.3198 69.6560 173.2164 79 R 3.4091 8.0351 124.4557 54.4267 30.3566 176.7912 80 C 3.9568 8.1955 123.9859 57.4155 41.2501 174.2864 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 *0 Q 8.33 4.48 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 1 C 7.85 4.93 0.00 2.72 2.41 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 2 Y 8.97 5.02 0.00 3.05 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.82 5.05 0.00 3.11 3.22 0.00 5.76 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 4 G 8.99 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 9.00 4.63 0.00 3.14 3.12 0.00 0.00 5.87 7.02 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 6 G 8.47 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 0.00 0.00 0.00 0.00 7 Q 7.90 4.17 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 8 S 7.96 4.62 0.00 3.94 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 9 Y 7.84 4.50 0.00 3.09 2.87 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 10 R 7.88 4.37 0.00 1.64 1.70 0.00 3.23 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 11 G 6.29 3.81 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 0.00 0.00 0.00 12 T 7.81 2.72 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 13 F 8.17 4.09 0.00 3.33 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.79 0.00 3.83 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 15 T 7.66 5.09 4.44 0.00 0.00 0.00 0.00 0.00 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 16 T 8.53 4.93 4.38 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 0.00 0.00 1.26 0.00 0.00 17 V 8.66 4.43 2.17 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 1.06 0.00 0.00 1.03 0.00 0.00 18 T 8.04 4.34 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 19 G 8.43 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 20 R 7.48 4.26 0.00 1.80 1.88 0.00 3.11 0.00 0.00 3.64 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 21 T 8.26 4.92 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 1.17 0.00 0.00 22 C 8.34 4.94 0.00 2.79 2.84 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 23 Q 7.94 4.31 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 24 S 8.70 4.22 0.00 3.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.48 4.13 0.00 3.24 3.31 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 0.00 26 S 8.18 4.37 0.00 3.89 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 27 S 7.49 4.18 0.00 3.68 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 28 M 8.57 4.47 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 29 T 7.37 4.62 4.20 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 0.00 0.00 1.16 0.00 0.00 30 P 0.00 4.23 0.00 1.67 2.01 0.00 3.96 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 31 H 7.85 4.71 0.00 2.90 3.07 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.27 4.28 0.00 1.85 1.86 0.00 3.00 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 33 H 8.04 4.87 0.00 3.38 2.53 0.00 5.48 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.77 4.60 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.56 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 35 R 7.99 4.25 0.00 2.21 2.29 0.00 3.28 0.00 0.00 3.46 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.28 0.00 *37 T 7.13 4.54 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 38 P 0.00 4.41 0.00 2.22 2.18 0.00 3.69 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 39 E 8.12 4.69 0.00 2.04 2.02 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 2.21 2.25 0.00 40 N 8.68 4.65 0.00 2.89 2.47 0.00 0.00 6.68 7.26 0.00 0.00 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 Y 7.31 4.49 0.00 3.00 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 42 P 0.00 4.66 0.00 2.01 2.09 0.00 3.55 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 43 N 7.57 5.11 0.00 2.72 2.77 0.00 0.00 6.75 7.94 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 44 D 7.84 4.71 0.00 2.53 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 0.00 0.00 0.00 45 G 8.48 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 46 L 6.95 3.73 0.00 1.53 1.35 0.64 -0.57 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 47 T 7.61 4.39 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48 M 8.58 3.01 0.00 1.82 0.57 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 49 N 8.33 4.73 0.00 2.65 2.68 0.00 0.00 5.92 7.55 0.00 0.00 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 Y 7.29 4.84 0.00 3.10 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 51 C 9.08 5.18 0.00 3.27 3.24 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 52 R 8.71 4.60 0.00 1.49 1.15 0.00 3.20 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.50 0.00 53 N 7.60 4.83 0.00 2.64 2.64 0.00 0.00 6.63 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 54 P 0.00 4.28 0.00 1.83 1.62 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.72 0.00 55 D 7.44 4.83 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.70 4.79 0.00 2.66 3.01 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 0.00 0.00 0.00 58 T 9.79 4.35 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 1.20 0.00 0.00 *60 G 7.64 3.62 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 0.00 0.00 0.00 61 P 0.00 4.53 0.00 2.04 2.26 0.00 2.76 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.13 0.00 62 W 9.08 4.94 0.00 3.29 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.86 5.23 0.00 2.49 3.20 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 0.00 0.00 0.00 64 F 7.38 4.72 0.00 2.78 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 65 T 8.70 4.83 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 66 M 8.67 4.14 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 67 D 8.12 4.44 0.00 2.74 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 68 P 0.00 4.29 0.00 2.09 2.08 0.00 3.99 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 2.03 1.99 0.00 69 S 8.00 4.38 0.00 4.14 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.39 4.25 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.94 0.00 0.00 71 R 8.44 3.57 0.00 1.86 1.89 0.00 3.20 0.00 0.00 3.49 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.78 0.00 72 R 7.16 5.12 0.00 1.47 1.57 0.00 2.47 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.39 0.00 73 E 7.97 4.66 0.00 1.89 1.85 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 2.21 2.22 0.00 74 Y 8.17 4.29 0.00 3.02 3.06 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 75 C 8.77 5.23 0.00 3.07 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 76 N 8.48 4.62 0.00 3.01 2.76 0.00 0.00 7.22 5.99 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 77 L 7.24 4.81 0.00 1.53 1.59 0.40 0.45 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 78 T 8.10 4.16 4.12 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 1.04 0.00 0.00 79 R 8.04 3.41 0.00 1.67 1.65 0.00 3.40 0.00 0.00 3.05 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.54 0.00 80 C 8.20 3.96 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.