NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1122 8.0244 114.2688 61.3075 38.7711 175.7108 4 R 4.3030 7.8754 120.6564 52.7664 30.4649 170.9611 5 P 4.2792 0.0000 0.0000 62.5133 33.0767 176.4488 6 L 4.5700 8.2659 126.0398 54.3829 40.7663 171.6248 7 H 3.9333 8.8372 121.4683 55.8451 29.9170 177.1295 8 D 4.5411 8.9306 118.8960 55.3934 42.0672 173.7804 9 R 4.5067 7.5964 117.5990 56.2632 31.7422 175.7500 10 V 4.7055 9.0709 121.0566 61.1910 35.4130 174.1069 11 I 4.9967 8.8318 127.6851 59.7258 39.6657 175.1509 12 V 5.0614 8.7343 119.5020 59.3792 36.6673 174.3310 13 K 4.6154 8.7395 122.3610 55.6546 34.2454 176.1303 14 R 4.4136 8.5817 125.3309 56.3478 30.8499 176.3590 15 K 4.4493 8.5690 125.9869 55.2997 33.6236 176.4307 16 E 3.8607 8.7552 120.0310 57.1571 29.6714 177.6434 17 V 3.7982 8.2908 122.3799 62.7415 31.1094 171.8873 18 E 3.6481 8.8547 135.0000 56.0736 29.6700 174.8071 19 T 4.2614 8.0915 120.8572 63.0566 66.8046 175.1797 20 K 4.4660 8.6575 120.8299 56.7714 32.0859 178.1934 21 S 4.7897 7.8023 111.8642 57.8874 63.6139 175.1091 22 A 4.3390 8.1326 120.7489 53.6472 17.6876 179.5511 23 G 3.6973 7.5625 106.6932 48.0057 0.0000 174.3586 24 G 4.0163 8.3969 107.2139 45.3165 0.0000 175.4745 25 I 3.8062 8.9925 120.1899 64.0882 38.4940 177.2263 26 V 3.7165 7.5644 120.3567 62.3499 31.9898 174.4556 27 L 4.4719 8.3451 129.4040 55.4145 42.6675 175.6013 28 T 4.6885 8.9470 120.0094 60.2194 71.4739 173.4156 29 G 4.2228 8.4744 113.1144 45.0366 0.0000 173.1291 30 S 4.5783 8.7660 115.4839 57.8010 63.0470 174.5277 31 A 4.3395 8.8336 126.9646 51.5091 19.4974 176.0375 32 A 3.6589 8.0567 116.7433 53.0693 16.0717 178.4975 33 A 4.5302 8.0499 129.2182 54.2754 21.0671 176.3145 34 K 4.6678 8.7866 118.3457 57.2946 38.0468 178.7619 35 S 4.8313 9.1904 106.1256 57.5725 65.3133 173.3110 36 T 3.3158 8.4083 116.0537 62.2036 71.1183 174.1563 37 R 4.6399 7.9045 121.9168 55.5027 31.0435 175.3979 38 G 4.5722 9.2522 112.7645 44.5566 0.0000 170.9226 39 E 5.1044 8.9970 126.0907 54.3337 31.5691 175.0408 40 V 3.9672 8.9572 128.5815 63.1156 32.1403 176.1928 41 L 4.4666 8.7285 127.6200 56.3528 43.4413 176.2871 42 A 4.5321 7.3777 117.3169 51.2043 22.5594 175.3040 43 V 4.5704 8.2199 118.3030 61.0700 35.1429 176.2524 44 G 4.0219 8.6337 113.8236 45.5921 0.0000 173.6544 45 N 4.4786 8.8643 116.5599 54.6229 38.7746 175.6290 46 G 3.7844 8.0641 105.2672 44.3004 0.0000 171.5832 47 R 4.6519 8.4759 118.8949 55.0141 31.2344 177.9075 48 I 3.8280 8.2949 126.0147 63.7677 37.6607 176.4132 49 L 4.0464 7.6452 118.8325 56.5051 41.8204 176.7462 50 E 3.8144 8.8422 120.7711 55.9773 28.1383 174.2021 51 N 4.6642 7.9176 120.1790 54.2185 39.2919 174.6879 52 G 3.6689 7.8652 106.9968 45.2416 0.0000 174.0822 53 E 3.6970 8.6513 126.6353 55.4484 28.6242 173.5070 54 V 4.5089 8.1431 119.0647 61.3971 32.7397 174.8787 55 K 4.7080 8.5263 128.1814 54.6613 34.8943 174.6368 56 P 4.8529 0.0000 0.0000 62.8122 32.7070 175.0754 57 L 4.9216 8.2187 118.9330 53.0407 44.1462 176.5269 58 D 4.8060 8.9265 121.1247 55.0600 41.1725 176.4179 59 V 4.4981 7.5940 110.4430 59.2965 34.3861 175.8490 60 K 4.4696 7.9335 118.7756 55.6038 35.0152 175.5480 61 V 3.5949 8.2989 123.9704 64.0574 31.9632 176.1866 62 G 3.9017 8.9126 115.5164 45.3080 0.0000 172.7650 63 D 4.7688 7.5222 119.9203 53.4569 43.6175 174.4941 64 I 5.0722 8.1820 120.3839 59.5519 39.4390 175.8905 65 V 4.6249 9.1325 119.6427 59.5841 36.2861 174.5081 66 I 4.9004 8.8872 123.8863 59.7979 38.8044 175.1021 67 F 5.3933 8.6515 122.1673 54.9725 40.8465 174.0728 68 N 4.6674 8.8873 118.9392 52.1791 40.1627 175.2557 69 D 4.8202 8.8174 125.9219 53.6987 39.9953 175.1848 70 G 4.3510 8.0242 114.7394 44.2070 0.0000 168.9227 71 Y 4.2885 8.7796 118.7764 58.9339 39.5863 178.3094 72 G 3.6242 8.4565 108.1584 48.6287 0.0000 173.8854 73 V 3.3834 7.7654 120.6257 63.1526 31.7742 175.5358 74 K 4.5922 8.9253 127.0230 54.7670 35.4876 174.7493 75 S 5.2531 8.2161 114.7723 57.1611 65.9721 172.2526 76 E 4.6849 8.7697 120.2779 55.2010 34.4614 174.6853 77 K 4.7610 8.9803 124.1746 54.8722 33.6820 175.3223 78 I 4.0530 8.7640 129.2793 60.6693 37.0861 176.0859 79 D 4.6301 9.4266 130.0997 54.6929 39.0113 175.6459 80 N 4.6804 7.5519 111.1219 54.5528 41.8991 173.5877 81 E 4.6172 8.4453 117.5917 54.8936 31.2838 174.8458 82 E 4.6568 8.5300 121.6335 56.1741 30.7100 176.3968 83 V 4.4387 8.8387 117.8844 59.4190 34.8932 174.8801 84 L 4.6753 8.8015 126.0240 54.3615 43.2887 176.1448 85 I 4.7764 8.6563 124.4207 59.8131 39.5835 174.4558 86 M 4.7793 8.4121 125.7742 53.4686 34.9017 174.9087 87 S 5.2157 8.8558 113.5796 55.7527 65.6424 175.0866 88 E 3.9749 8.7852 120.2832 59.4101 29.4023 178.7466 89 S 4.2450 7.5578 112.2675 60.6465 63.0283 174.7455 90 D 4.6357 8.1072 119.5394 55.2015 41.1587 175.9594 91 I 4.6385 7.7253 120.9944 60.0916 38.4619 175.3625 92 L 4.3272 8.8085 125.1411 56.2633 42.7159 176.4727 93 A 4.5453 7.1527 118.0406 52.0143 22.5628 176.1448 94 I 4.5409 7.8945 122.6596 62.2568 37.6950 177.3372 *95 V 3.9215 8.4724 126.4131 62.0523 32.1549 173.7273 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 I 8.02 4.11 1.86 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 1.28 1.11 0.90 0.00 0.00 4 R 7.88 4.30 0.00 1.80 1.83 0.00 3.29 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 5 P 0.00 4.28 0.00 2.23 2.15 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.94 0.00 6 L 8.27 4.57 0.00 1.59 1.57 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.84 3.93 0.00 3.67 3.45 0.00 5.84 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 8 D 8.93 4.54 0.00 2.97 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 9 R 7.60 4.51 0.00 1.76 1.78 0.00 3.23 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 10 V 9.07 4.71 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 0.95 0.00 0.00 0.91 0.00 0.00 11 I 8.83 5.00 1.84 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 1.18 0.65 0.87 0.00 0.00 12 V 8.73 5.06 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 0.73 0.00 0.00 0.78 0.00 0.00 13 K 8.74 4.62 0.00 1.83 1.93 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.39 7.81 14 R 8.58 4.41 0.00 1.96 1.95 0.00 3.31 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.03 0.00 15 K 8.57 4.45 0.00 1.81 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.56 7.81 16 E 8.76 3.86 0.00 1.95 1.91 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 2.33 2.27 0.00 17 V 8.29 3.80 2.09 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 0.84 0.00 0.00 0.95 0.00 0.00 18 E 8.85 3.65 0.00 2.25 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 2.21 2.38 0.00 19 T 8.09 4.26 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 20 K 8.66 4.47 0.00 1.81 1.88 0.00 1.94 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.46 7.81 21 S 7.80 4.79 0.00 3.94 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 0.00 22 A 8.13 4.34 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.56 3.70 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 0.00 0.00 0.00 24 G 8.40 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 0.00 0.00 0.00 25 I 8.99 3.81 1.87 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 1.30 0.57 0.91 0.00 0.00 26 V 7.56 3.72 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 0.95 0.00 0.00 0.93 0.00 0.00 27 L 8.35 4.47 0.00 1.70 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.95 4.69 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 1.26 0.00 0.00 29 G 8.47 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 0.00 0.00 0.00 0.00 30 S 8.77 4.58 0.00 3.87 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 31 A 8.83 4.34 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 32 A 8.06 3.66 1.39 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 0.00 0.00 33 A 8.05 4.53 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 34 K 8.79 4.67 0.00 1.85 1.31 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.52 7.81 35 S 9.19 4.83 0.00 3.91 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 36 T 8.41 3.32 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 1.00 0.00 0.00 37 R 7.90 4.64 0.00 1.83 1.94 0.00 3.08 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 38 G 9.25 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 39 E 9.00 5.10 0.00 2.07 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 2.24 2.25 0.00 40 V 8.96 3.97 2.22 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 0.93 0.00 0.00 1.02 0.00 0.00 41 L 8.73 4.47 0.00 1.63 1.67 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.38 4.53 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 43 V 8.22 4.57 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 0.83 0.00 0.00 0.93 0.00 0.00 44 G 8.63 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 0.00 0.00 0.00 45 N 8.86 4.48 0.00 2.75 2.90 0.00 0.00 7.02 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 46 G 8.06 3.78 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 0.00 0.00 0.00 47 R 8.48 4.65 0.00 1.84 1.81 0.00 3.10 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 1.58 1.60 0.00 48 I 8.29 3.83 1.77 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.85 0.00 0.00 49 L 7.65 4.05 0.00 1.63 1.63 0.93 0.92 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 50 E 8.84 3.81 0.00 2.08 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 2.15 2.33 0.00 51 N 7.92 4.66 0.00 2.98 2.95 0.00 0.00 7.03 7.86 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 52 G 7.87 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 0.00 0.00 0.00 53 E 8.65 3.70 0.00 2.11 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 2.20 2.33 0.00 54 V 8.14 4.51 2.07 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 0.82 0.00 0.00 0.91 0.00 0.00 55 K 8.53 4.71 0.00 1.86 1.90 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.52 7.81 56 P 0.00 4.85 0.00 2.10 2.11 0.00 3.71 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 1.99 2.00 0.00 57 L 8.22 4.92 0.00 1.70 1.68 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.93 4.81 0.00 2.64 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 59 V 7.59 4.50 2.09 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 0.79 0.00 0.00 0.93 0.00 0.00 60 K 7.93 4.47 0.00 1.89 1.87 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 61 V 8.30 3.59 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 0.86 0.00 0.00 0.93 0.00 0.00 62 G 8.91 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 0.00 0.00 0.00 63 D 7.52 4.77 0.00 2.73 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 64 I 8.18 5.07 1.89 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 1.36 0.81 0.96 0.00 0.00 65 V 9.13 4.62 2.14 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 0.76 0.00 0.00 1.07 0.00 0.00 66 I 8.89 4.90 1.99 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 1.26 0.71 0.85 0.00 0.00 67 F 8.65 5.39 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.89 4.67 0.00 2.77 2.80 0.00 0.00 7.11 9.28 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 69 D 8.82 4.82 0.00 2.65 2.62 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 70 G 8.02 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.78 4.29 0.00 2.91 2.97 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 72 G 8.46 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 73 V 7.77 3.38 2.22 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 0.62 0.00 0.00 1.00 0.00 0.00 74 K 8.93 4.59 0.00 1.64 1.61 0.00 1.53 0.00 0.00 1.42 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.42 7.81 75 S 8.22 5.25 0.00 3.79 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 76 E 8.77 4.68 0.00 1.87 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 2.20 2.37 0.00 77 K 8.98 4.76 0.00 1.65 1.69 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.41 7.81 78 I 8.76 4.05 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.27 0.90 0.00 0.00 79 D 9.43 4.63 0.00 2.83 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 80 N 7.55 4.68 0.00 2.82 2.72 0.00 0.00 7.30 7.53 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 81 E 8.45 4.62 0.00 2.20 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 2.25 2.30 0.00 82 E 8.53 4.66 0.00 1.85 1.88 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 2.30 2.29 0.00 83 V 8.84 4.44 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 0.74 0.00 0.00 0.90 0.00 0.00 84 L 8.80 4.68 0.00 1.64 1.32 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.66 4.78 1.80 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 1.23 0.80 0.85 0.00 0.00 86 M 8.41 4.78 0.00 1.81 2.22 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 87 S 8.86 5.22 0.00 4.15 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 88 E 8.79 3.97 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 89 S 7.56 4.25 0.00 3.99 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 90 D 8.11 4.64 0.00 2.89 2.80 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 0.00 0.00 0.00 91 I 7.73 4.64 2.02 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 1.38 0.72 1.01 0.00 0.00 92 L 8.81 4.33 0.00 1.72 1.72 0.91 0.66 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 93 A 7.15 4.55 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 94 I 7.89 4.54 1.88 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 1.30 0.74 0.97 0.00 0.00 *95 V 8.47 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.