NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.3676 8.1744 110.9474 61.6072 70.1758 173.5838 -4 E 4.4656 8.8449 124.4012 59.0022 30.0497 176.1896 -3 F 4.1844 9.0782 120.8263 58.3548 40.8031 173.7178 -2 K 4.1939 7.4749 125.9606 54.1617 34.4543 175.8591 -1 A 3.8226 7.8334 125.1132 51.6029 19.0109 177.5433 -4 G 4.0756 8.7549 113.0012 47.5022 0.0000 174.4896 -3 S 4.0344 9.0882 116.2263 58.9548 65.0031 172.5178 -2 A 4.1939 7.4249 129.3607 50.4617 20.4543 177.0591 -1 K 3.8226 7.8834 121.7132 55.3029 33.0109 176.3433 5 K 4.3216 8.8887 124.7244 57.6680 31.6272 178.1100 6 G 3.8063 8.0825 104.2117 47.8097 0.0000 174.8714 7 A 2.5800 7.6779 122.2407 54.9813 18.0682 179.7338 8 T 3.7867 7.4994 111.9887 66.5909 68.8499 176.5135 9 L 4.0688 7.9479 120.8391 57.7058 41.7014 178.8980 10 F 3.9508 8.4310 120.8839 61.7213 39.0390 177.5114 11 K 4.0177 8.3491 116.7686 59.0149 31.9197 178.4175 12 T 4.3489 7.6583 107.3254 61.9717 69.4419 175.2134 13 R 4.4020 7.5067 117.5811 57.7596 32.5232 176.6275 14 C 3.9929 7.6209 115.5507 61.4939 28.7311 175.7471 15 L 3.6511 6.8886 120.1639 58.1685 41.3894 178.3583 16 Q 3.9512 7.5243 118.1490 58.8778 29.2200 177.4088 17 C 4.5289 7.8897 115.5122 60.4129 30.9439 172.8731 18 H 5.4404 8.2327 115.2452 54.2015 31.2857 173.7711 19 T 5.0719 8.3083 107.7766 60.6646 71.8666 174.8822 20 V 4.0464 8.5136 120.3338 62.2573 33.2154 176.3142 21 E 4.1238 7.9928 118.8781 55.5563 29.9039 176.5968 22 K 3.4650 8.3588 120.3231 57.9656 31.6820 175.1358 23 G 3.7711 8.4804 116.1542 42.2402 0.0000 172.2822 24 G 3.9059 7.7514 114.0590 42.5779 0.0000 171.1572 25 P 4.2443 0.0000 0.0000 62.7992 32.2434 177.5418 26 H 4.5651 8.1862 122.1881 53.5715 26.8496 174.6282 27 K 3.8847 7.3511 119.4414 57.6861 32.7731 178.6413 28 V 4.0343 8.1304 121.8398 64.8789 33.0501 176.5465 29 G 3.9725 7.6114 106.7347 43.8019 0.0000 171.1609 30 P 4.0980 0.0000 0.0000 62.2745 32.4957 174.8917 31 N 4.9380 8.6224 117.7428 52.1976 40.2723 175.0611 32 L 4.6531 8.4893 124.3962 54.4983 42.3532 176.1797 33 H 4.3734 8.7874 119.0977 56.1760 30.6729 175.8016 34 G 3.9378 8.5714 113.6396 45.6909 0.0000 173.8816 35 I 3.6019 7.3359 120.6832 63.8419 37.9611 175.0764 36 F 4.2007 7.2087 118.5061 59.3706 37.9457 174.8654 37 G 3.9793 8.4630 114.2177 45.2959 0.0000 171.8249 38 R 4.5841 7.8205 118.2788 53.6177 32.3116 175.9117 39 Q 4.2513 8.5104 123.5759 55.4856 29.8772 175.6069 40 S 4.4959 8.2494 116.2399 59.1957 64.0697 173.8280 41 G 3.5426 8.7454 108.5028 47.0439 0.0000 173.6774 42 Q 4.6400 8.1886 109.5364 55.5533 29.4736 176.5052 43 A 4.3658 8.7968 122.0917 50.5912 19.7701 176.3170 44 E 3.6758 8.2455 122.1029 57.6118 30.6639 176.6094 45 G 4.2085 8.5702 113.5393 45.8611 0.0000 173.8827 46 Y 4.1970 7.3279 120.0739 56.6277 39.3694 176.9721 47 S 4.1811 6.6912 119.4420 58.3890 60.6380 173.4162 48 Y 4.5322 7.9063 127.6187 58.3041 39.2902 175.3478 49 T 4.7205 7.8049 109.6549 59.2250 73.0332 173.8172 50 D 4.3172 8.7874 122.4538 57.7403 41.1270 178.4492 51 A 3.9384 8.0779 120.4447 55.3977 18.0591 178.7375 52 N 4.1875 8.1826 114.0291 57.0504 39.2872 176.5343 53 I 3.7740 7.3946 120.8635 64.7009 37.0626 178.5932 54 K 3.9843 8.4085 118.3454 58.6507 31.8564 177.9594 55 K 4.5986 8.0377 119.1819 56.3002 33.0819 175.5337 56 N 3.8589 7.2911 116.1008 51.8330 36.1146 173.7571 57 V 4.0588 8.1510 124.0976 60.3344 32.7673 176.4009 58 L 3.7197 8.1339 127.5777 55.7114 42.8690 176.2150 59 W 3.8682 7.3630 117.8320 57.8457 26.1918 172.8218 60 D 5.0731 7.4967 118.8090 52.6185 41.9579 176.5039 61 E 4.1330 8.8677 118.6497 59.5288 29.2637 179.1801 62 N 4.3006 8.2762 116.4508 56.8839 39.1801 176.5435 63 N 4.3696 9.2122 118.1846 56.4713 38.5751 177.1488 64 M 4.2718 8.4386 119.6574 58.7290 32.1690 177.8380 65 S 4.0830 8.1840 112.4559 61.7728 62.6973 175.5769 66 E 3.9575 8.5323 121.9597 59.1066 29.3610 177.7129 67 Y 3.8072 7.7110 119.7614 60.9958 38.8729 178.4940 68 L 3.9736 8.3883 119.7956 58.3549 41.5763 179.7246 69 T 3.9868 7.9724 115.8623 66.0294 69.5645 174.5366 70 N 5.0750 8.1436 116.5902 51.4887 38.5424 174.5110 71 P 3.7276 0.0000 0.0000 63.5256 31.2962 179.1193 *73 K 4.1762 8.1832 120.2816 57.5139 33.6168 176.2459 74 Y 4.1170 8.4610 118.4462 59.6112 38.8130 175.4540 75 I 4.4255 8.3931 121.2125 58.8545 38.5995 174.6159 76 P 4.6372 0.0000 0.0000 59.7203 29.8562 177.0707 77 G 4.4757 6.7043 122.3288 46.4911 0.0000 169.4066 78 T 4.6989 7.1237 116.2115 60.5586 70.9090 173.6500 79 K 4.1908 8.7675 127.0830 57.5213 32.7235 178.0780 80 A 4.3904 8.1034 122.1248 53.2555 15.9786 178.0098 81 A 4.3632 7.8518 130.3585 51.0095 17.6656 177.8435 82 F 4.8960 7.6717 123.6245 56.3182 41.5098 176.8434 83 G 3.3396 8.0756 116.7245 45.3336 0.0000 171.5594 84 G 3.6437 6.3436 108.1384 46.3494 0.0000 172.7443 85 L 4.2868 8.6071 126.7959 55.0454 39.7577 177.1190 86 K 4.1482 8.3212 123.3865 58.6909 32.7455 178.8171 87 K 3.8770 8.1419 117.5982 58.6859 32.1941 176.2178 88 E 4.3935 8.5515 120.1821 56.4855 28.9456 175.4989 89 K 4.3211 7.6343 117.1081 59.3193 32.9136 178.5962 90 D 4.4110 8.3242 118.1115 57.6891 40.7272 178.9159 91 R 3.8981 8.1470 118.4413 59.7877 29.8376 177.6929 92 N 4.3612 8.4554 116.1949 56.5567 38.5965 177.0911 93 D 4.3791 8.0889 119.4248 57.3498 41.0263 177.9649 94 L 4.0206 8.2533 121.1389 58.6804 42.0380 178.9928 95 I 3.6569 8.3340 119.4907 64.7272 36.9532 178.2368 96 T 3.9261 8.1669 116.5581 67.0200 68.3836 175.5524 97 Y 4.0270 8.4186 121.3721 60.6980 38.6945 178.0269 98 L 3.4555 8.1885 121.2646 57.9011 42.0083 178.4535 99 K 2.7514 7.4548 118.3281 59.3196 31.9992 178.1355 100 K 3.9240 7.7693 118.0783 59.4103 32.1975 178.3847 101 A 3.8789 7.7859 120.3688 53.9507 18.2470 178.3337 102 S 4.5300 7.6502 110.9669 58.1030 63.9017 173.5558 103 E 4.0959 8.0272 126.0370 55.9633 29.4994 175.7531 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 -5 T 8.17 4.37 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 1.31 0.00 0.00 -4 E 8.84 4.47 0.00 2.09 2.10 0.00 0.00 0.00 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 2.40 0.00 -3 F 9.08 4.18 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 -2 K 7.47 4.19 0.00 1.49 1.46 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.38 7.81 -1 A 7.83 3.82 1.21 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 0.00 0.00 -4 G 8.75 4.08 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 0.00 0.00 0.00 -3 S 9.09 4.03 0.00 3.83 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 -2 A 7.42 4.19 1.18 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 0.00 0.00 0.00 0.00 0.00 -1 K 7.88 3.82 0.00 1.62 1.47 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.34 7.81 5 K 8.89 4.32 0.00 1.97 1.95 0.00 1.75 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.42 7.81 6 G 8.08 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 7 A 7.68 2.58 0.95 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 0.00 0.00 8 T 7.50 3.79 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 1.18 0.00 0.00 9 L 7.95 4.07 0.00 1.81 1.73 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.43 3.95 0.00 3.17 2.98 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 11 K 8.35 4.02 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.66 7.81 12 T 7.66 4.35 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 1.21 0.00 0.00 13 R 7.51 4.40 0.00 1.77 1.81 0.00 3.42 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 14 C 7.62 3.99 0.00 1.48 2.47 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 15 L 6.89 3.65 0.00 1.30 1.65 1.09 0.69 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 16 Q 7.52 3.95 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 17 C 7.89 4.53 0.00 2.77 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 18 H 8.23 5.44 0.00 3.02 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.31 5.07 4.30 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 1.25 0.00 0.00 20 V 8.51 4.05 1.77 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 0.61 0.00 0.00 0.26 0.00 0.00 21 E 7.99 4.12 0.00 1.98 1.92 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 2.33 2.36 0.00 22 K 8.36 3.46 0.00 1.65 1.64 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.94 1.31 7.81 23 G 8.48 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 0.00 0.00 0.00 24 G 7.75 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.24 0.00 2.17 2.06 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 26 H 8.19 4.57 0.00 3.16 2.44 0.00 5.76 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.35 3.88 0.00 1.93 1.68 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.60 7.81 28 V 8.13 4.03 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 0.83 0.00 0.00 0.95 0.00 0.00 29 G 7.61 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 30 P 0.00 4.10 0.00 2.05 1.97 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 31 N 8.62 4.94 0.00 2.72 2.78 0.00 0.00 6.73 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 32 L 8.49 4.65 0.00 1.63 1.55 0.71 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.79 4.37 0.00 3.47 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.57 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 0.00 0.00 0.00 0.00 35 I 7.34 3.60 1.71 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.14 0.75 0.00 0.00 36 F 7.21 4.20 0.00 3.31 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 37 G 8.46 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 38 R 7.82 4.58 0.00 2.03 1.93 0.00 3.25 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 39 Q 8.51 4.25 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 40 S 8.25 4.50 0.00 4.16 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 41 G 8.75 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.19 4.64 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 43 A 8.80 4.37 1.26 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 0.00 0.00 44 E 8.25 3.68 0.00 1.85 1.81 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 2.21 2.21 0.00 45 G 8.57 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 0.00 0.00 0.00 46 Y 7.33 4.20 0.00 2.82 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 47 S 6.69 4.18 0.00 3.73 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 48 Y 7.91 4.53 0.00 2.98 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 49 T 7.80 4.72 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 1.23 0.00 0.00 50 D 8.79 4.32 0.00 2.81 2.73 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 51 A 8.08 3.94 1.42 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 0.00 0.00 52 N 8.18 4.19 0.00 2.66 2.84 0.00 0.00 7.34 7.50 0.00 0.00 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 I 7.39 3.77 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.72 0.91 0.00 0.00 54 K 8.41 3.98 0.00 1.64 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.75 7.81 55 K 8.04 4.60 0.00 1.72 1.89 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.43 1.28 7.81 56 N 7.29 3.86 0.00 2.91 2.94 0.00 0.00 6.52 7.25 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 57 V 8.15 4.06 1.07 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 -0.42 0.00 0.00 0.71 0.00 0.00 58 L 8.13 3.72 0.00 1.61 1.57 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 59 W 7.36 3.87 0.00 3.55 2.61 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 0.00 0.00 0.00 0.00 60 D 7.50 5.07 0.00 2.97 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 61 E 8.87 4.13 0.00 2.15 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.58 0.00 62 N 8.28 4.30 0.00 2.90 3.06 0.00 0.00 7.20 6.71 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 63 N 9.21 4.37 0.00 2.96 2.88 0.00 0.00 6.75 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 64 M 8.44 4.27 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 65 S 8.18 4.08 0.00 3.91 4.09 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 66 E 8.53 3.96 0.00 2.09 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 67 Y 7.71 3.81 0.00 2.80 3.25 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 68 L 8.39 3.97 0.00 1.97 1.81 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.97 3.99 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 1.20 0.00 0.00 70 N 8.14 5.07 0.00 2.87 2.89 0.00 0.00 6.72 7.33 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 71 P 0.00 3.73 0.00 2.03 1.11 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 *73 K 8.18 4.18 0.00 1.80 2.13 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.47 7.81 74 Y 8.46 4.12 0.00 3.31 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 75 I 8.39 4.43 2.20 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.38 1.01 0.00 0.00 76 P 0.00 4.64 0.00 2.18 2.10 0.00 3.88 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 1.98 1.94 0.00 77 G 6.70 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.12 4.70 4.41 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 1.40 0.00 0.00 79 K 8.77 4.19 0.00 1.80 1.88 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.48 7.81 80 A 8.10 4.39 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 81 A 7.85 4.36 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 82 F 7.67 4.90 0.00 3.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.08 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 6.34 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.61 4.29 0.00 1.93 1.75 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.32 4.15 0.00 1.71 1.84 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.57 7.81 87 K 8.14 3.88 0.00 1.76 1.94 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 88 E 8.55 4.39 0.00 2.26 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 2.18 2.33 0.00 89 K 7.63 4.32 0.00 1.93 1.83 0.00 1.66 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.54 7.81 90 D 8.32 4.41 0.00 2.71 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 91 R 8.15 3.90 0.00 1.90 2.19 0.00 3.20 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 92 N 8.46 4.36 0.00 2.95 3.05 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 93 D 8.09 4.38 0.00 2.90 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 94 L 8.25 4.02 0.00 1.79 1.98 1.22 0.96 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 95 I 8.33 3.66 1.65 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 0.43 0.00 0.00 96 T 8.17 3.93 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 1.33 0.00 0.00 97 Y 8.42 4.03 0.00 3.18 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 98 L 8.19 3.46 0.00 1.96 1.70 1.19 0.81 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 99 K 7.45 2.75 0.00 0.90 1.77 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.12 7.81 100 K 7.77 3.92 0.00 1.84 1.69 0.00 1.82 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.55 7.81 101 A 7.79 3.88 0.67 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 0.00 0.00 102 S 7.65 4.53 0.00 3.91 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 0.00 103 E 8.03 4.10 0.00 1.99 1.77 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 2.25 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.