NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1635 8.0427 120.9920 54.3411 42.7907 175.8784 3 S 4.6461 7.7563 125.3163 55.0868 62.2588 171.8365 4 I 4.6193 8.3885 127.6560 60.2311 41.8699 174.2120 5 G 4.2317 9.3815 109.8183 44.1253 0.0000 171.8820 6 R 4.8204 9.3099 116.7446 55.4223 33.4298 176.0867 7 T 4.4743 8.5908 107.8365 62.8520 70.2393 173.8483 8 C 5.3648 7.5875 122.5234 58.0022 34.6781 172.8651 9 W 5.1139 9.6326 125.1963 54.8177 33.0770 174.0663 10 A 5.2122 8.8174 123.6897 50.2431 21.7885 175.4399 11 I 4.4543 8.8722 122.5888 59.4730 39.1387 176.6860 12 A 4.0078 8.8311 130.4339 53.4685 18.7988 176.3805 13 E 4.5679 7.3148 115.8643 54.2856 32.9010 175.3487 14 G 2.9356 7.7082 107.7590 45.3653 0.0000 171.7327 15 Y 5.1834 7.9899 122.4107 57.4927 43.1712 172.8425 16 I 4.5945 8.0063 127.9339 58.7377 39.2122 173.5514 17 P 4.3461 0.0000 0.0000 62.2068 32.4209 175.4585 18 P 4.4500 0.0000 0.0000 62.0794 29.7790 175.1159 19 Y 4.5488 7.7690 117.9763 56.0769 38.9248 178.5167 20 G 3.7572 7.4606 108.4384 46.0109 0.0000 173.2838 21 N 4.6092 8.6906 115.4163 54.0050 39.5761 176.0609 22 G 3.9483 7.7924 106.8428 44.1794 0.0000 171.2869 23 P 4.7339 0.0000 0.0000 62.2794 33.3188 178.0733 24 E 3.8324 7.6518 124.7352 55.6815 27.8362 179.8157 *30 H 4.3352 8.8031 117.7543 54.7479 28.2978 172.2930 31 E 4.2503 8.5938 126.8235 56.7552 30.2093 175.1318 32 T 4.9555 9.5367 124.3033 61.5990 72.6535 173.3712 33 V 4.2725 8.3659 127.3915 62.1260 32.9690 174.3593 34 C 4.7619 8.9072 126.9432 58.6978 29.9490 172.7669 35 I 4.8057 8.7524 124.6134 59.2755 40.1339 174.0865 36 L 4.8134 8.9928 129.1882 53.2297 44.8232 174.5228 37 N 5.1873 9.1637 125.3203 52.0054 40.1513 174.0204 38 A 4.4404 8.7075 126.8197 52.1690 19.9685 176.9095 39 G 4.0418 7.8240 104.3354 45.0051 0.0000 174.3116 40 D 4.8738 8.6592 117.5307 54.1862 41.4172 176.2283 41 E 4.7528 7.6716 120.1201 53.7978 32.2020 175.1472 42 D 4.7212 8.9123 125.5395 55.1034 41.9350 175.6934 43 A 4.6166 9.1407 124.5359 50.9359 20.7897 176.0999 44 H 4.9119 9.3711 121.7793 55.1186 29.3733 174.5841 45 V 4.4269 8.8667 124.7286 61.9188 33.4500 174.4789 46 E 5.1605 9.5177 126.7177 54.8022 32.6701 174.7818 47 I 5.1136 9.0326 126.0991 60.0654 39.9220 174.9301 48 T 5.1995 9.0969 122.2662 61.8786 72.1641 172.8383 49 I 4.8954 8.6707 126.4554 59.8461 39.6254 174.2841 50 Y 4.7700 9.2101 124.6621 56.4526 40.8074 174.3603 51 Y 5.3661 8.4320 118.6796 56.0871 41.7695 175.9286 52 S 4.4195 9.1144 114.8526 60.7031 63.5539 174.8211 53 D 4.9081 8.0932 117.4952 52.3177 40.3555 174.5836 54 K 4.6397 7.8573 116.6855 55.5543 35.3043 175.4003 55 E 4.1494 8.6285 119.6457 55.8637 29.9360 175.5298 56 P 4.5301 0.0000 0.0000 62.5799 32.2903 175.6872 57 V 4.3399 9.6934 118.9851 59.7034 33.7936 176.2249 58 G 4.1110 7.9751 113.2286 44.6193 0.0000 169.2385 59 P 4.7191 0.0000 0.0000 62.8749 32.4758 175.7392 60 Y 4.5763 9.2783 121.8162 56.8700 38.7823 174.6801 61 R 5.2312 8.5309 124.0119 55.0816 32.0329 175.7629 62 L 4.5531 8.5371 121.1590 55.3878 44.3291 173.6075 63 T 5.0721 8.4785 116.2750 61.8147 71.2799 173.8558 64 V 4.2698 8.6192 126.6241 60.4157 33.1690 173.4366 65 P 4.9636 0.0000 0.0000 61.9963 32.2746 176.1324 66 A 4.0023 8.8805 123.1933 53.3642 18.7491 178.1190 67 R 3.8629 8.3822 120.5101 57.0542 28.3087 176.0514 68 R 4.7708 7.8668 113.7704 55.1494 35.3712 174.9005 69 T 5.0625 8.3720 114.5266 60.5113 70.5196 173.1637 70 K 4.5845 9.1051 126.3206 55.3145 36.0951 174.2786 71 H 5.1760 8.8802 124.4475 54.3366 30.3940 174.2194 72 V 4.1964 8.8372 124.8626 61.0014 33.5820 174.9913 73 R 4.5677 8.3772 127.6236 55.3810 31.1633 177.5179 74 F 4.1660 8.9892 122.3628 60.6563 39.2216 177.2159 75 N 4.3813 8.3974 117.7507 56.6057 38.7457 175.0553 76 D 4.6269 7.7771 115.5664 54.9958 41.4424 176.5903 77 L 4.3101 7.7264 121.7384 54.6778 42.1703 177.2939 78 N 5.0334 8.8825 116.6312 52.1945 40.0068 173.0050 79 D 4.7630 8.2133 119.5639 51.7195 42.4287 174.4380 80 P 4.2385 0.0000 0.0000 64.6479 31.9965 176.0523 81 A 4.6621 7.1166 118.2682 51.1478 21.6821 174.1525 82 P 4.9356 0.0000 0.0000 61.9944 32.0840 176.4254 83 I 4.0510 8.0941 122.3644 59.7512 37.6648 174.4939 84 P 4.2856 0.0000 0.0000 63.3030 31.4619 175.9547 85 H 4.4434 8.6045 118.1526 55.4699 29.6013 173.7325 86 D 4.1945 8.8093 117.1536 54.2131 40.1801 173.0794 87 T 4.8803 7.3336 111.5848 61.2216 72.5079 173.2603 88 D 5.0103 9.1809 126.9141 54.5397 41.6177 175.4626 89 F 5.1336 8.6677 117.6005 55.5567 41.8065 172.9301 90 A 4.9098 9.1535 119.6101 50.2447 22.8680 175.1337 91 S 5.4490 9.1389 112.9715 56.6727 67.1982 173.0042 92 V 4.9574 9.1710 120.8215 61.2593 34.4965 174.2301 93 I 4.9902 9.4072 128.3781 59.9110 39.7990 174.5977 94 Q 5.3616 9.3923 126.4362 54.4614 32.1242 174.7520 95 S 5.2281 8.9102 114.9485 56.8584 65.3903 173.7958 96 N 4.6664 8.9522 121.4968 54.8660 37.9277 175.5205 97 V 4.5738 7.4452 111.0963 58.2006 35.2874 173.4756 98 P 4.7123 0.0000 0.0000 63.2011 31.8712 175.5742 99 I 4.9287 8.9838 116.0284 59.4049 42.2045 173.7592 100 V 4.4071 8.4798 122.0488 60.9403 33.6886 174.2731 101 V 4.4656 5.7093 126.9305 60.8176 34.0272 174.2628 102 Q 4.4717 8.6938 127.6241 54.5703 32.6252 172.8552 103 H 5.1957 8.9418 124.9720 55.6601 32.2598 174.3281 104 T 3.9772 8.3525 120.5992 63.0833 67.5002 172.7699 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 2 L 8.04 4.16 0.00 1.89 1.92 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 3 S 7.76 4.65 0.00 3.93 3.85 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 0.00 0.00 0.00 4 I 8.39 4.62 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.81 0.97 0.00 0.00 5 G 9.38 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 0.00 0.00 0.00 0.00 6 R 9.31 4.82 0.00 1.62 1.83 0.00 2.26 0.00 0.00 2.64 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 7 T 8.59 4.47 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 1.29 0.00 0.00 8 C 7.59 5.36 0.00 2.96 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 9 W 9.63 5.11 0.00 3.26 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 10 A 8.82 5.21 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 11 I 8.87 4.45 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.89 0.76 0.00 0.00 12 A 8.83 4.01 1.23 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 0.00 0.00 0.00 13 E 7.31 4.57 0.00 1.82 1.69 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 2.10 2.24 0.00 14 G 7.71 2.94 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 15 Y 7.99 5.18 0.00 2.99 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 16 I 8.01 4.59 1.65 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.00 0.74 0.00 0.00 17 P 0.00 4.35 0.00 2.25 2.31 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 18 P 0.00 4.45 0.00 2.06 2.02 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 19 Y 7.77 4.55 0.00 3.13 3.12 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 0.00 20 G 7.46 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 0.00 0.00 0.00 21 N 8.69 4.61 0.00 2.72 2.88 0.00 0.00 6.72 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 22 G 7.79 3.95 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 0.00 23 P 0.00 4.73 0.00 2.16 2.08 0.00 3.80 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 1.99 1.96 0.00 24 E 7.65 3.83 0.00 1.29 1.12 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 2.03 2.08 0.00 *30 H 8.80 4.34 0.00 3.28 3.44 0.00 5.72 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.59 4.25 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 3.06 0.00 32 T 9.54 4.96 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 1.18 0.00 0.00 33 V 8.37 4.27 1.82 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 0.84 0.00 0.00 0.35 0.00 0.00 34 C 8.91 4.76 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.81 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.61 0.83 0.00 0.00 36 L 8.99 4.81 0.00 1.64 1.42 0.96 0.32 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 37 N 9.16 5.19 0.00 2.79 2.80 0.00 0.00 6.74 9.20 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 38 A 8.71 4.44 1.27 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 0.00 0.00 39 G 7.82 4.04 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 0.00 40 D 8.66 4.87 0.00 2.68 2.71 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 0.00 0.00 0.00 41 E 7.67 4.75 0.00 1.92 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 2.12 2.27 0.00 42 D 8.91 4.72 0.00 2.58 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 43 A 9.14 4.62 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 44 H 9.37 4.91 0.00 3.11 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.87 4.43 2.25 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 0.99 0.00 0.00 0.96 0.00 0.00 46 E 9.52 5.16 0.00 1.93 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 0.00 2.26 2.30 0.00 47 I 9.03 5.11 2.00 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 1.31 0.74 1.09 0.00 0.00 48 T 9.10 5.20 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 0.89 0.00 0.00 49 I 8.67 4.90 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.62 0.26 0.00 0.00 50 Y 9.21 4.77 0.00 2.86 2.86 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 0.00 0.00 0.00 51 Y 8.43 5.37 0.00 2.90 2.89 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 52 S 9.11 4.42 0.00 4.04 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 53 D 8.09 4.91 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.86 4.64 0.00 1.82 1.74 0.00 1.01 0.00 0.00 1.51 0.00 0.00 2.57 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.20 1.46 7.81 55 E 8.63 4.15 0.00 1.99 1.95 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 2.34 2.27 0.00 56 P 0.00 4.53 0.00 1.61 0.91 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 57 V 9.69 4.34 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 1.05 0.00 0.00 1.05 0.00 0.00 58 G 7.98 4.11 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 0.00 0.00 0.00 59 P 0.00 4.72 0.00 2.12 2.10 0.00 3.71 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 1.96 2.00 0.00 60 Y 9.28 4.58 0.00 2.95 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 61 R 8.53 5.23 0.00 1.70 1.86 0.00 3.24 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 62 L 8.54 4.55 0.00 1.75 1.74 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.48 5.07 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 1.32 0.00 0.00 64 V 8.62 4.27 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 0.98 0.00 0.00 0.92 0.00 0.00 65 P 0.00 4.96 0.00 1.97 1.98 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 66 A 8.88 4.00 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 67 R 8.38 3.86 0.00 2.01 2.01 0.00 3.13 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 68 R 7.87 4.77 0.00 1.88 1.74 0.00 3.22 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 69 T 8.37 5.06 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 1.18 0.00 0.00 70 K 9.11 4.58 0.00 1.76 1.54 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.39 7.81 71 H 8.88 5.18 0.00 2.98 3.13 0.00 5.74 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.84 4.20 1.84 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 0.86 0.00 0.00 0.84 0.00 0.00 73 R 8.38 4.57 0.00 2.08 1.86 0.00 3.20 0.00 0.00 3.53 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 74 F 8.99 4.17 0.00 3.25 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 75 N 8.40 4.38 0.00 2.81 2.96 0.00 0.00 6.99 8.47 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 76 D 7.78 4.63 0.00 2.89 2.70 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 0.00 0.00 0.00 0.00 77 L 7.73 4.31 0.00 1.87 1.37 0.85 0.19 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 N 8.88 5.03 0.00 2.86 3.04 0.00 0.00 5.71 8.07 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 79 D 8.21 4.76 0.00 2.67 2.57 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 80 P 0.00 4.24 0.00 2.05 1.97 0.00 2.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 81 A 7.12 4.66 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 82 P 0.00 4.94 0.00 2.07 2.04 0.00 3.75 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 I 8.09 4.05 1.62 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.27 0.28 0.00 0.00 84 P 0.00 4.29 0.00 2.16 2.01 0.00 3.80 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 1.99 1.82 0.00 85 H 8.60 4.44 0.00 3.04 3.27 0.00 5.87 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.81 4.19 0.00 2.61 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 87 T 7.33 4.88 4.55 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 0.00 0.00 0.00 1.43 0.00 0.00 88 D 9.18 5.01 0.00 2.68 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 89 F 8.67 5.13 0.00 2.65 2.71 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 0.00 0.00 0.00 90 A 9.15 4.91 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 91 S 9.14 5.45 0.00 4.09 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 92 V 9.17 4.96 2.37 0.00 0.00 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 0.96 0.00 0.00 93 I 9.41 4.99 2.05 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 1.30 0.66 0.98 0.00 0.00 94 Q 9.39 5.36 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 95 S 8.91 5.23 0.00 3.93 3.82 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 96 N 8.95 4.67 0.00 2.78 2.96 0.00 0.00 5.85 7.68 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 97 V 7.45 4.57 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 0.73 0.00 0.00 0.99 0.00 0.00 98 P 0.00 4.71 0.00 1.99 2.15 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 99 I 8.98 4.93 1.84 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.99 0.95 0.00 0.00 100 V 8.48 4.41 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 0.61 0.00 0.00 1.05 0.00 0.00 101 V 5.71 4.47 0.69 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 0.63 0.00 0.00 0.30 0.00 0.00 102 Q 8.69 4.47 0.00 1.97 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 103 H 8.94 5.20 0.00 3.18 3.17 0.00 5.99 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.35 3.98 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 1.14 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.