NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4762 8.1927 115.5551 57.9838 65.9430 172.7882 4 C 4.9214 8.2539 120.8869 55.2892 43.4067 171.7999 5 T 4.3689 9.3425 125.2902 62.8553 69.5671 172.9892 6 N 5.3114 8.7418 125.8750 51.9978 41.2464 173.7017 7 T 4.3940 9.0432 123.5169 61.6653 71.6831 174.2323 8 N 4.3531 8.6934 126.2742 54.7487 36.4088 173.8969 9 S 5.2725 8.1041 110.9741 56.8715 66.9867 174.7408 10 Q 4.6032 8.7588 120.0886 54.2677 31.9083 174.8034 11 L 5.2170 8.4516 122.8174 52.4627 45.3092 176.5987 12 S 4.2095 9.1340 116.8917 57.9042 63.6176 175.2735 13 A 3.8627 8.7371 126.5636 55.1119 18.0543 178.0863 14 N 4.6170 7.9629 110.6012 53.8568 38.2073 175.5403 15 S 4.6346 8.3227 115.8574 58.2891 64.2108 173.6014 16 K 4.5835 9.2737 121.3159 54.7325 35.1161 174.5453 17 C 5.1338 8.7021 123.9359 54.7341 47.0159 172.4910 18 E 4.6469 8.8520 127.3503 54.7726 32.8103 175.6800 19 K 4.0495 8.8174 126.6021 57.5207 30.5912 173.5455 20 S 5.1700 7.8512 112.6219 57.4271 68.6370 174.6788 21 T 5.0774 8.9892 117.6571 61.8398 71.6578 173.2975 22 L 5.2334 9.6086 127.0325 53.2451 44.8142 175.6702 23 T 4.8082 8.7518 121.2594 61.4601 71.6092 174.0168 24 N 5.0669 8.8787 127.8318 54.2709 38.7081 171.6251 25 C 5.6278 7.8986 117.2016 54.8620 41.4898 173.9870 *27 V 4.3999 8.2351 121.0287 63.9305 32.8634 174.9787 28 D 4.9610 9.9901 128.2368 52.8071 43.8266 175.3043 29 K 3.8535 9.3729 127.4303 57.2031 30.9788 173.0372 30 S 5.0693 8.9345 115.8475 57.0614 68.7655 174.5985 31 E 4.7662 9.2663 122.3479 54.7363 31.7970 175.4540 32 V 4.5625 8.3386 126.1321 59.8160 33.6564 174.8064 33 F 5.1936 9.0470 124.8387 55.9123 42.2580 176.0945 34 G 4.6542 8.7396 113.2139 47.1006 0.0000 172.1901 35 T 5.2598 7.9376 113.4795 61.8024 73.5498 174.6986 36 T 4.9351 8.8541 120.2853 62.0421 71.3568 172.3090 37 C 5.3376 9.9095 128.1966 55.0526 43.6106 172.6458 38 T 4.8068 8.9025 122.6508 61.8717 71.9697 174.5865 39 G 4.5651 9.1789 118.5554 47.5081 0.0000 171.6052 40 S 5.1655 7.4427 112.0439 56.4531 67.9951 174.2126 41 R 4.4621 9.1302 119.7335 54.5446 32.5170 174.9383 42 F 5.4574 8.5948 123.0149 56.0219 41.4442 174.3140 43 D 4.7947 8.9360 124.4269 52.0623 43.2641 175.2222 44 G 4.6560 9.1697 118.3135 45.3693 0.0000 171.3621 45 V 4.8108 7.9550 111.2292 60.0161 37.5236 176.8886 46 T 4.8614 8.7500 119.1006 62.0248 71.1815 172.6023 47 I 4.8976 8.6101 127.7586 59.2578 40.8101 174.3133 48 T 5.0276 8.9314 125.7556 62.5850 72.1534 174.2409 49 T 4.2524 8.5039 121.3912 63.8972 66.7215 170.2179 50 S 5.1679 7.9191 116.1553 57.3169 68.7285 174.7213 51 T 5.1151 8.8349 115.9568 62.1896 72.4367 173.4233 52 S 5.2043 9.3891 120.9835 56.8052 65.5547 172.6073 53 T 4.8415 9.4061 124.3639 61.9815 71.7864 174.6713 54 G 4.6790 8.9867 117.6713 47.4669 0.0000 172.1692 55 S 5.2866 8.4390 112.8583 56.4456 67.9837 174.4980 56 R 5.0410 9.3526 121.2104 54.5259 32.7951 174.7895 57 I 4.8531 9.0398 124.4339 59.2557 41.1525 174.2720 58 S 5.1532 9.0881 124.9165 57.3962 67.1587 174.7101 59 G 4.2415 9.0575 109.0257 45.2296 0.0000 173.8536 60 P 4.6405 0.0000 0.0000 64.1539 31.9317 177.1480 61 G 4.0477 7.6727 107.6904 45.5318 0.0000 173.8467 62 C 4.8385 7.9260 120.7924 55.3519 40.9021 172.1498 63 K 5.1612 9.0729 125.3086 54.6971 35.3897 175.2078 64 I 5.0649 9.1377 125.7444 59.4890 41.0181 174.5609 65 S 4.7370 8.8635 120.5060 57.6137 65.5640 173.2020 66 T 4.5074 8.8611 119.2284 62.2910 65.7714 169.3353 67 C 5.3607 8.6994 120.6744 54.9815 47.3423 173.6424 68 I 5.0547 8.2242 120.0957 59.7099 40.0561 174.5866 69 I 4.8509 9.3881 128.6847 59.7590 39.9984 174.8233 70 T 4.8695 8.4862 123.4213 62.2027 72.2311 174.5889 71 G 4.1268 10.1744 115.8089 46.4411 0.0000 174.4741 72 G 4.0616 9.2347 109.6947 44.5479 0.0000 174.5769 73 V 4.1479 7.7059 120.8315 58.9697 32.7575 173.1366 74 P 4.7779 0.0000 0.0000 61.9516 31.9482 176.0253 75 A 4.1557 8.5406 126.9738 50.9512 19.1749 175.4033 76 P 4.2861 0.0000 0.0000 62.8955 32.2136 176.2781 77 S 4.4426 8.4367 117.9152 56.8898 65.2906 174.8108 78 A 4.0109 8.7852 130.5432 54.5138 18.3255 177.6784 79 A 4.3182 7.5573 116.5413 52.6151 19.5687 176.1401 80 C 5.4490 7.8603 117.0163 55.2618 45.4420 172.9648 81 K 4.7241 9.0245 126.9703 54.7289 34.0457 175.5086 82 I 5.1707 8.3772 125.2758 59.6460 40.7845 175.1799 83 S 4.3877 8.8985 120.1282 57.2994 66.1771 174.2767 84 G 4.2020 8.8939 116.0744 47.3378 0.0000 173.0459 85 C 5.2692 8.1368 114.1491 54.7662 41.8257 174.4257 86 T 4.6227 8.1247 110.8193 60.0723 71.0581 173.0701 87 F 5.4053 8.7564 123.9920 56.1729 42.3223 174.2764 88 S 4.7191 8.8055 113.0810 57.3722 66.2071 173.8878 89 A 4.4293 8.6359 125.2859 51.7652 19.2624 177.1358 90 N 4.5952 8.6437 118.1870 53.7142 38.8882 174.1899 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 3 S 8.19 4.48 0.00 3.94 4.17 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 4 C 8.25 4.92 0.00 3.22 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 5 T 9.34 4.37 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 6 N 8.74 5.31 0.00 2.66 2.68 0.00 0.00 7.03 7.70 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 7 T 9.04 4.39 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 8 N 8.69 4.35 0.00 2.88 2.83 0.00 0.00 6.84 7.57 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 9 S 8.10 5.27 0.00 4.01 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.60 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 11 L 8.45 5.22 0.00 1.45 1.53 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.13 4.21 0.00 4.15 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 0.00 13 A 8.74 3.86 1.31 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 0.00 0.00 14 N 7.96 4.62 0.00 2.84 2.94 0.00 0.00 6.08 7.64 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 15 S 8.32 4.63 0.00 3.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.27 4.58 0.00 1.39 1.54 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.64 7.81 17 C 8.70 5.13 0.00 2.88 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.85 4.65 0.00 2.10 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 2.44 2.45 0.00 19 K 8.82 4.05 0.00 2.01 1.84 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.59 7.81 20 S 7.85 5.17 0.00 3.71 3.89 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 0.00 0.00 0.00 21 T 8.99 5.08 4.26 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 1.22 0.00 0.00 22 L 9.61 5.23 0.00 1.44 1.50 0.93 0.55 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 23 T 8.75 4.81 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 1.19 0.00 0.00 24 N 8.88 5.07 0.00 2.87 2.76 0.00 0.00 6.86 7.22 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 25 C 7.90 5.63 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.24 4.40 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 1.01 0.00 0.00 0.97 0.00 0.00 28 D 9.99 4.96 0.00 2.81 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 29 K 9.37 3.85 0.00 1.92 1.71 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.42 7.81 30 S 8.93 5.07 0.00 3.75 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.27 4.77 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 32 V 8.34 4.56 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 0.91 0.00 0.00 0.98 0.00 0.00 33 F 9.05 5.19 0.00 2.96 2.90 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 34 G 8.74 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 5.26 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 1.36 0.00 0.00 36 T 8.85 4.94 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 1.23 0.00 0.00 37 C 9.91 5.34 0.00 2.94 2.96 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 38 T 8.90 4.81 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 39 G 9.18 4.57 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 0.00 0.00 0.00 0.00 40 S 7.44 5.17 0.00 3.38 3.63 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 41 R 9.13 4.46 0.00 1.66 1.79 0.00 3.07 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 42 F 8.59 5.46 0.00 2.91 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 43 D 8.94 4.79 0.00 2.78 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 44 G 9.17 4.66 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 0.00 0.00 0.00 45 V 7.95 4.81 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 0.74 0.00 0.00 0.61 0.00 0.00 46 T 8.75 4.86 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 1.30 0.00 0.00 47 I 8.61 4.90 1.49 0.00 0.00 0.75 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 1.67 0.53 0.00 0.00 48 T 8.93 5.03 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 49 T 8.50 4.25 4.26 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 1.23 0.00 0.00 50 S 7.92 5.17 0.00 3.69 3.87 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 51 T 8.83 5.12 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 1.24 0.00 0.00 52 S 9.39 5.20 0.00 4.19 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 53 T 9.41 4.84 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 54 G 8.99 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.44 5.29 0.00 3.83 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.35 5.04 0.00 1.84 1.84 0.00 3.08 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 57 I 9.04 4.85 2.07 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.51 1.20 0.00 0.00 58 S 9.09 5.15 0.00 3.64 3.63 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 59 G 9.06 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 0.00 0.00 0.00 0.00 60 P 0.00 4.64 0.00 2.17 2.17 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 61 G 7.67 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 62 C 7.93 4.84 0.00 3.14 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 63 K 9.07 5.16 0.00 1.71 1.65 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.55 7.81 64 I 9.14 5.06 1.85 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.95 0.00 0.00 65 S 8.86 4.74 0.00 3.86 3.66 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 66 T 8.86 4.51 4.25 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 0.00 0.00 0.00 1.25 0.00 0.00 67 C 8.70 5.36 0.00 2.88 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 68 I 8.22 5.05 1.86 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 1.35 0.73 0.92 0.00 0.00 69 I 9.39 4.85 1.97 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.44 0.92 0.00 0.00 70 T 8.49 4.87 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 1.21 0.00 0.00 71 G 10.17 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 72 G 9.23 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 0.00 0.00 0.00 73 V 7.71 4.15 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 0.81 0.00 0.00 0.88 0.00 0.00 74 P 0.00 4.78 0.00 1.87 1.54 0.00 3.56 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 75 A 8.54 4.16 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.29 0.00 1.93 2.00 0.00 3.68 0.00 0.00 3.55 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 77 S 8.44 4.44 0.00 3.79 3.63 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 78 A 8.79 4.01 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 79 A 7.56 4.32 1.28 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 0.00 0.00 0.00 80 C 7.86 5.45 0.00 3.08 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 81 K 9.02 4.72 0.00 1.77 1.70 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.43 7.81 82 I 8.38 5.17 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 1.19 0.00 0.00 83 S 8.90 4.39 0.00 3.89 3.66 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 84 G 8.89 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 0.00 0.00 0.00 0.00 85 C 8.14 5.27 0.00 2.75 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 0.00 0.00 0.00 0.00 86 T 8.12 4.62 4.19 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 1.17 0.00 0.00 87 F 8.76 5.41 0.00 2.97 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 88 S 8.81 4.72 0.00 3.91 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 89 A 8.64 4.43 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.64 4.60 0.00 2.78 2.69 0.00 0.00 7.00 7.12 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 * Residues marked with a * may have inaccurate shift predictions.