NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3105 8.2393 119.0634 55.5956 30.9884 178.3188 8 P 2.9700 0.0000 0.0000 61.8896 32.3825 172.6410 9 N 4.8841 8.1819 116.5957 52.4678 42.9799 175.0304 10 H 4.3290 9.1201 120.7306 59.0402 29.2720 175.4427 11 T 5.1770 8.0493 115.3211 62.2192 69.9748 174.1386 12 I 4.8547 8.5843 119.5771 59.3697 40.6070 173.7917 13 Y 4.4290 8.6904 126.8487 56.3535 40.2420 173.9853 14 I 4.7953 7.4034 127.9261 59.5903 40.2025 174.8045 15 N 5.0770 8.3135 122.8067 51.6637 41.3625 173.3348 16 N 3.9930 8.6571 113.7844 54.8995 37.2390 174.0219 17 L 4.5592 7.6046 115.2262 52.7475 42.7949 176.4959 18 N 4.3219 8.6641 120.1934 53.9520 38.8531 175.6373 19 E 4.0952 8.6673 125.8563 58.6990 29.8036 178.1371 20 K 4.1340 7.8491 116.5213 57.2445 32.3264 176.6683 21 I 4.1433 6.8013 120.2134 59.0846 38.5823 176.4102 22 K 4.1165 8.4212 124.9652 56.5411 34.5363 177.8276 23 K 3.9965 8.4895 123.3252 60.0951 32.4496 178.1553 24 D 4.3451 8.0573 117.6923 57.0792 41.2238 177.6016 25 E 3.9651 8.1068 119.4845 59.2190 29.7425 178.3746 26 L 4.1551 7.9881 120.3760 58.1974 41.9607 178.8918 27 K 4.0280 8.3796 119.4159 58.9524 32.0611 178.6022 28 K 4.1130 7.9098 118.0624 58.8060 32.3171 179.1921 29 S 4.4072 8.5640 114.9292 61.2901 63.0338 176.6073 30 L 4.2539 8.4731 122.1236 58.2593 41.6460 178.8255 31 H 4.1213 7.9984 117.4809 59.1860 29.3970 176.9519 32 A 4.1758 7.8800 121.5882 55.0330 18.3100 178.9113 33 I 4.0065 7.6643 116.1772 62.8375 38.3091 177.4531 34 F 4.9117 8.1552 116.4862 58.0723 38.9323 177.4845 35 S 4.4205 7.8850 114.3334 60.9299 62.6796 176.5029 36 R 3.8309 7.7987 119.0461 59.0698 29.4449 178.3270 37 F 4.4132 7.8515 116.6146 57.4237 39.1008 175.3664 38 G 4.4948 6.9854 106.0154 44.6894 0.0000 171.4974 39 Q 4.2467 7.9938 117.6152 55.7190 29.3203 175.1478 40 I 4.1625 8.1381 123.3783 60.2283 38.4264 175.8131 41 L 4.1725 8.6153 126.1567 57.3709 42.1203 176.9315 42 D 4.5874 7.4839 114.9817 53.2735 44.6367 173.8641 43 I 4.8880 8.4281 125.9540 59.6593 39.4164 174.7909 44 L 4.6525 8.5300 127.8900 53.1726 43.3635 175.8043 45 V 4.7040 8.4058 123.6748 61.1635 34.2113 174.5475 46 S 4.8197 8.8096 121.3769 56.6693 65.0460 173.0555 47 R 4.5715 8.2367 117.5121 55.4807 31.2125 174.4112 48 S 4.3804 7.6755 111.1864 58.0630 63.5345 174.9632 49 L 3.9342 8.3873 121.7734 57.7811 41.8857 177.7289 50 K 4.2071 8.0154 118.3484 58.1246 32.4866 176.8437 51 M 4.7813 7.8008 115.6680 54.6954 32.6903 175.8882 52 R 4.1507 7.8036 116.7612 56.7014 30.7528 177.2760 53 G 3.9799 8.8105 106.0537 46.1353 0.0000 172.7393 54 Q 4.9654 7.3964 116.7823 53.9826 32.7811 174.3860 55 A 4.7161 8.0305 120.6869 51.0292 23.4492 175.4108 56 F 5.0161 8.7187 117.6988 55.3873 40.2698 172.6116 57 V 3.6611 7.9689 121.0655 62.4876 32.6881 174.2915 58 I 4.7411 8.3308 129.7539 59.8516 38.8920 174.9657 59 F 5.1594 8.6155 125.6987 55.5139 40.4899 176.4539 60 K 4.1665 8.6882 123.1990 58.3984 32.4662 177.0318 61 E 4.8051 8.0612 118.1435 53.9849 32.1566 177.0329 62 V 3.5513 8.3672 122.5374 65.7596 31.7191 177.8488 63 S 4.0533 8.1755 112.7627 61.9273 62.1165 176.5266 64 S 4.0837 7.8102 117.2598 61.3534 62.4683 176.5762 65 A 3.6433 7.5239 123.0726 55.1139 18.1892 179.7429 66 T 4.0131 8.0335 115.7946 66.4451 68.6215 176.7633 67 N 4.2709 7.9031 117.7274 56.2326 38.5769 177.3642 68 A 2.0000 7.3437 122.0442 54.1314 18.3195 179.4709 69 L 3.6823 7.4766 118.7245 58.2721 41.9674 179.2845 70 R 3.9566 7.5630 116.4280 59.5637 30.1279 178.9654 71 S 4.3321 7.7208 113.1955 61.2065 63.3825 175.7652 72 M 4.2855 7.7259 119.0558 54.0699 31.8843 175.7819 73 Q 4.1330 7.0264 120.6794 57.5750 29.3226 176.5554 74 G 3.9843 8.7914 114.1166 45.1027 0.0000 173.2237 75 F 4.1542 8.1247 123.1733 57.4674 39.8444 172.4453 76 P 4.4866 0.0000 0.0000 62.2896 31.6270 175.6514 77 F 4.7338 8.8363 125.9624 57.1832 41.4433 174.2736 78 Y 3.7067 8.6972 128.1180 59.4298 34.8999 171.0543 79 D 4.4990 8.1974 114.4340 54.5567 39.3588 174.2886 80 K 4.7646 7.7502 119.1403 53.4696 35.5339 174.0271 81 P 4.8193 0.0000 0.0000 63.4065 31.9614 176.0465 82 M 4.4416 8.9974 123.0579 54.9846 33.8607 175.2924 83 R 4.7682 8.6831 122.5562 54.8423 32.6438 174.2669 84 I 4.8363 8.3241 127.9665 59.7839 39.5277 175.2033 85 Q 4.6967 9.0927 126.0467 54.1575 32.7741 174.2070 86 Y 4.9681 8.2930 116.2218 57.0943 40.0966 175.3020 87 A 4.2797 8.9474 126.5812 52.6142 18.4238 178.8741 88 K 4.0931 9.0757 124.6472 57.0570 32.0713 174.5675 89 T 4.8237 7.4458 106.3748 59.1116 71.8452 173.2046 90 D 4.5551 8.5560 121.9112 54.9132 41.5645 176.3662 91 S 4.7377 8.1855 116.4864 57.0333 65.0413 175.4504 92 D 4.2521 8.5385 122.1817 57.7123 40.6308 178.6136 93 I 3.8768 7.7106 116.0385 62.5216 38.3287 175.7836 94 I 4.1533 7.4916 118.4965 63.6688 38.4815 176.7773 95 A 4.0379 8.9172 125.3575 54.9981 18.4424 178.1805 96 K 4.2118 8.4846 121.3928 54.6833 31.9549 178.3848 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 *7 R 8.24 4.31 0.00 1.85 0.99 0.00 3.22 0.00 0.00 3.22 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 8 P 0.00 2.97 0.00 1.80 1.49 0.00 3.57 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 9 N 8.18 4.88 0.00 2.68 3.04 0.00 0.00 7.00 7.89 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 10 H 9.12 4.33 0.00 3.36 3.66 0.00 5.85 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.05 5.18 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 1.53 0.00 0.00 12 I 8.58 4.85 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.91 0.93 0.00 0.00 13 Y 8.69 4.43 0.00 3.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.40 4.80 1.55 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.79 0.00 0.00 15 N 8.31 5.08 0.00 2.62 2.56 0.00 0.00 6.37 7.61 0.00 0.00 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 N 8.66 3.99 0.00 2.88 3.07 0.00 0.00 6.85 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.60 4.56 0.00 1.73 1.70 0.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.66 4.32 0.00 2.74 2.54 0.00 0.00 7.08 7.65 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 19 E 8.67 4.10 0.00 1.97 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 2.30 2.48 0.00 20 K 7.85 4.13 0.00 2.05 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.80 4.14 1.34 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.19 0.57 0.00 0.00 22 K 8.42 4.12 0.00 1.96 1.91 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 23 K 8.49 4.00 0.00 1.81 1.86 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.57 1.51 7.81 24 D 8.06 4.35 0.00 2.79 2.65 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 25 E 8.11 3.97 0.00 2.08 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 2.50 2.44 0.00 26 L 7.99 4.16 0.00 1.80 1.87 1.11 0.45 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 27 K 8.38 4.03 0.00 2.08 1.99 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.51 7.81 28 K 7.91 4.11 0.00 1.93 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.30 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.65 7.81 29 S 8.56 4.41 0.00 4.24 4.21 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 30 L 8.47 4.25 0.00 1.84 1.68 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.00 4.12 0.00 3.50 3.49 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.88 4.18 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 33 I 7.66 4.01 1.62 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 0.39 0.00 0.00 34 F 8.16 4.91 0.00 3.08 3.43 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 35 S 7.89 4.42 0.00 4.18 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 36 R 7.80 3.83 0.00 1.68 1.89 0.00 2.21 0.00 0.00 2.67 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.82 0.00 37 F 7.85 4.41 0.00 3.13 3.05 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 38 G 6.99 4.49 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 0.00 39 Q 7.99 4.25 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 40 I 8.14 4.16 1.69 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.38 0.69 0.00 0.00 41 L 8.62 4.17 0.00 1.61 1.71 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.48 4.59 0.00 2.66 2.42 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 43 I 8.43 4.89 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.65 0.88 0.00 0.00 44 L 8.53 4.65 0.00 1.78 1.65 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.41 4.70 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 0.80 0.00 0.00 0.96 0.00 0.00 46 S 8.81 4.82 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.24 4.57 0.00 1.72 1.81 0.00 3.32 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 48 S 7.68 4.38 0.00 4.10 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 49 L 8.39 3.93 0.00 1.62 1.75 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.02 4.21 0.00 1.78 1.85 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 51 M 7.80 4.78 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 52 R 7.80 4.15 0.00 1.98 2.23 0.00 2.88 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 53 G 8.81 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 54 Q 7.40 4.97 0.00 1.99 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.61 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 55 A 8.03 4.72 1.04 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 0.00 0.00 56 F 8.72 5.02 0.00 3.02 2.93 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 57 V 7.97 3.66 1.64 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 0.17 0.00 0.00 0.37 0.00 0.00 58 I 8.33 4.74 1.89 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 1.29 0.80 0.95 0.00 0.00 59 F 8.62 5.16 0.00 3.20 3.07 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 60 K 8.69 4.17 0.00 1.78 1.93 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.46 7.81 61 E 8.06 4.81 0.00 2.05 1.83 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 2.36 2.24 0.00 62 V 8.37 3.55 1.99 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 1.01 0.00 0.00 0.63 0.00 0.00 63 S 8.18 4.05 0.00 3.91 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 64 S 7.81 4.08 0.00 3.80 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.52 3.64 1.47 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 0.00 0.00 0.00 66 T 8.03 4.01 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 1.28 0.00 0.00 67 N 7.90 4.27 0.00 2.80 3.06 0.00 0.00 6.98 6.66 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 68 A 7.34 2.00 0.82 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 0.00 0.00 69 L 7.48 3.68 0.00 1.59 1.58 -0.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.56 3.96 0.00 1.91 1.96 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 71 S 7.72 4.33 0.00 3.94 4.01 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 72 M 7.73 4.29 0.00 1.74 1.98 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.12 0.00 73 Q 7.03 4.13 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 74 G 8.79 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 75 F 8.12 4.15 0.00 3.08 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 76 P 0.00 4.49 0.00 1.73 1.82 0.00 2.38 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 77 F 8.84 4.73 0.00 3.13 3.05 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 78 Y 8.70 3.71 0.00 2.96 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.20 4.50 0.00 2.84 2.81 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 80 K 7.75 4.76 0.00 1.90 1.89 0.00 1.70 0.00 0.00 1.92 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 81 P 0.00 4.82 0.00 2.10 2.07 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 82 M 9.00 4.44 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.61 0.00 83 R 8.68 4.77 0.00 1.89 1.97 0.00 3.19 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 84 I 8.32 4.84 1.80 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.78 0.00 0.00 85 Q 9.09 4.70 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 86 Y 8.29 4.97 0.00 2.95 2.83 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 87 A 8.95 4.28 1.53 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 0.00 0.00 88 K 9.08 4.09 0.00 1.79 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.01 7.81 89 T 7.45 4.82 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 90 D 8.56 4.56 0.00 2.68 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 91 S 8.19 4.74 0.00 3.88 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 92 D 8.54 4.25 0.00 2.67 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 93 I 7.71 3.88 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.90 0.00 0.00 94 I 7.49 4.15 1.97 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 0.94 0.76 0.00 0.00 95 A 8.92 4.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.48 4.21 0.00 1.74 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.