NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 5.1130 8.0700 122.2726 52.2161 21.6597 176.2661 3 Q 4.4974 7.8223 111.6496 54.6921 31.8677 171.5081 4 K 4.6171 9.5973 127.2418 55.4635 36.8705 173.8926 5 T 5.2140 8.3010 121.5831 61.9637 70.8569 173.4941 6 F 5.1093 9.4236 125.1352 55.9179 42.6707 175.2444 7 T 4.9415 8.3174 112.6600 60.1036 69.2823 174.8138 8 V 3.9103 8.9912 129.0176 62.4574 31.8157 176.4973 9 T 4.3293 8.6330 119.8842 62.0420 68.5967 174.6114 10 A 4.0673 7.8317 124.0578 52.5365 18.8036 178.4007 11 D 4.2771 9.0725 122.2826 57.0370 41.0668 177.8505 12 S 4.5830 8.0679 110.5664 57.1685 63.5952 175.8994 13 G 3.9118 7.7081 110.0672 45.4821 0.0000 174.5733 14 I 4.0179 7.8277 115.8072 60.2865 35.8275 173.6718 15 H 4.9042 7.3982 120.1912 53.7121 34.1524 173.6601 16 A 3.6003 8.5331 121.8519 53.1521 17.5302 178.7635 17 R 3.9682 8.6495 111.2247 59.3983 30.1286 176.7567 18 P 5.1078 0.0000 0.0000 65.1618 31.2944 178.4993 19 A 3.9316 7.9744 118.9765 55.1741 18.1482 179.7007 20 T 3.9896 7.6598 114.4804 66.4697 68.5463 177.3804 21 T 3.9795 8.4294 112.4112 64.6696 68.6163 176.5674 22 L 3.8011 8.1594 123.5004 57.6959 41.9815 178.6675 23 V 3.9758 7.7834 116.0852 64.4507 31.6757 177.0142 24 Q 4.1975 7.7665 118.5326 59.0974 29.5718 176.8230 25 A 3.9694 8.5515 122.3443 55.2429 17.8631 178.6076 26 A 4.7997 7.7360 115.2848 53.0582 18.9647 178.8018 27 S 4.2850 8.4965 111.7017 60.0673 62.6838 175.4464 28 K 4.0000 7.5056 118.2929 56.9629 32.1147 176.5643 29 F 4.9355 6.9933 117.0674 55.4783 41.4557 175.2835 30 D 4.5153 8.8624 122.4271 56.7497 41.4747 177.0352 31 S 4.3522 7.8085 113.7533 58.6362 64.5847 173.9164 32 D 4.7987 8.9514 122.5419 54.2421 41.0358 175.6837 33 I 4.6517 8.2463 124.7193 60.3691 38.6891 174.9629 34 N 5.1682 9.5927 124.0629 51.8541 43.2791 172.7705 35 L 5.1471 8.4386 123.7630 53.6575 45.8035 174.5816 36 E 5.3195 9.4276 125.9937 53.9708 32.8179 175.2342 37 F 4.8988 10.4980 125.8122 57.5263 43.0709 174.0478 38 N 3.8227 9.2176 125.5221 54.3469 35.8469 175.1509 39 G 3.8859 8.1779 102.0911 45.4981 0.0000 173.1044 40 K 4.6752 8.1319 121.0002 54.5125 34.9143 174.7904 41 T 4.7760 8.2466 120.2798 62.0669 72.5758 173.1613 42 V 4.8088 8.7370 117.2839 59.2479 36.9807 174.1216 43 N 4.6040 8.6724 120.8820 53.3772 38.6332 174.8588 44 L 4.0485 8.8773 128.5831 56.9113 42.9489 177.2735 45 K 4.3354 9.0207 120.6956 55.7392 31.0496 175.8653 *47 I 4.2161 7.4090 123.9058 61.7671 39.8777 178.4751 48 M 4.1084 8.1969 119.2522 58.5094 31.6385 178.6248 49 G 3.7225 8.1114 104.9841 48.0209 0.0000 175.3834 50 V 3.5828 7.6277 119.5084 65.7610 31.7833 177.4756 51 M 4.2246 8.1048 115.4290 56.8933 31.9910 178.1521 52 S 4.3638 7.8536 115.5075 60.7742 63.2310 175.9034 53 L 4.1874 7.2880 121.5142 57.3648 42.2657 178.4163 54 G 3.6848 8.0160 102.6456 46.1274 0.0000 173.8952 55 I 3.4716 7.0559 119.2529 60.8873 37.7317 176.1216 56 Q 4.5776 8.2646 122.3826 53.0666 32.0557 174.6759 57 K 3.8846 8.4544 119.8996 58.3445 32.3923 176.2745 58 G 3.8616 9.3653 112.1580 46.2763 0.0000 173.2936 59 A 4.7859 7.5396 120.2659 50.7644 21.4878 177.3216 60 T 5.1212 8.6651 116.4042 62.0023 70.3620 173.9520 61 I 4.8639 8.7346 120.2924 59.3904 41.3889 174.9922 62 T 5.2497 8.6759 119.3998 62.1310 72.0007 173.0770 63 I 4.9554 8.6286 120.4874 59.7802 40.6256 175.0435 64 S 4.9763 9.3992 119.2000 57.0496 67.5972 172.7857 65 A 4.8551 8.6577 127.0365 50.1507 21.0511 174.9434 66 E 4.8312 9.8872 120.5152 55.1032 32.3843 176.7903 67 G 4.5222 8.3906 110.7985 43.3322 0.0000 172.4436 68 S 3.6697 7.4771 112.0911 62.0381 63.5904 174.7355 69 D 4.8586 8.0254 121.0749 53.9077 41.1887 178.3694 70 E 3.8441 8.5073 120.4357 60.6535 29.3470 177.7346 71 A 3.8859 7.7682 120.7822 54.3733 17.8473 178.8057 72 D 4.2229 8.2064 115.6042 57.0952 40.9818 178.3470 73 A 2.5800 7.2418 120.8182 53.9495 18.1750 179.1288 74 L 4.0240 8.0109 118.4133 57.4822 42.0714 178.8567 75 A 4.2909 8.0133 120.6961 55.0923 18.6093 179.3584 76 A 4.0508 7.3212 119.7010 55.1296 18.4879 179.7226 77 L 4.1326 8.4088 117.4858 57.0907 41.4356 178.8038 78 E 4.2578 7.5736 119.7856 58.2201 29.9482 177.4105 79 D 4.3656 7.9183 118.1120 57.6047 41.1932 178.5311 80 T 3.8524 8.7087 116.3494 67.3489 68.4789 176.7623 81 M 3.4775 7.3739 120.9297 57.9574 31.8784 178.4919 82 S 4.5068 7.8661 113.2645 59.5125 64.2795 176.2517 83 K 3.8891 7.9602 122.4420 59.2903 32.1187 177.5221 84 E 4.3960 9.0230 118.5628 55.1200 29.2157 176.3680 85 G 4.3342 8.5648 104.9854 46.2853 0.0000 175.3564 86 L 3.9136 7.5314 118.8709 54.9028 41.7715 176.2691 87 G 4.4411 6.3879 103.9827 43.4241 0.0000 174.0344 88 E 4.4692 8.5948 116.4034 56.4786 29.8522 175.4096 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 A 8.07 5.11 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 3 Q 7.82 4.50 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.67 0.00 0.00 0.00 0.00 0.00 2.14 2.44 0.00 4 K 9.60 4.62 0.00 1.79 1.62 0.00 0.61 0.00 0.00 0.95 0.00 0.00 2.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.81 1.16 7.81 5 T 8.30 5.21 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 1.32 0.00 0.00 6 F 9.42 5.11 0.00 2.91 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 7 T 8.32 4.94 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 1.25 0.00 0.00 8 V 8.99 3.91 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 0.86 0.00 0.00 0.99 0.00 0.00 9 T 8.63 4.33 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 1.27 0.00 0.00 10 A 7.83 4.07 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 11 D 9.07 4.28 0.00 2.66 2.77 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 12 S 8.07 4.58 0.00 3.97 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 13 G 7.71 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 14 I 7.83 4.02 1.64 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.44 0.78 0.00 0.00 15 H 7.40 4.90 0.00 3.21 3.10 0.00 5.76 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 16 A 8.53 3.60 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 17 R 8.65 3.97 0.00 1.85 2.00 0.00 3.42 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 18 P 0.00 5.11 0.00 2.13 2.09 0.00 4.10 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 19 A 7.97 3.93 1.35 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 20 T 7.66 3.99 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 21 T 8.43 3.98 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 1.30 0.00 0.00 22 L 8.16 3.80 0.00 1.80 1.64 0.78 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.78 3.98 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 0.91 0.00 0.00 0.92 0.00 0.00 24 Q 7.77 4.20 0.00 2.49 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.45 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 25 A 8.55 3.97 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 26 A 7.74 4.80 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.50 4.29 0.00 4.11 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 28 K 7.51 4.00 0.00 1.29 1.46 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.60 7.81 29 F 6.99 4.94 0.00 3.05 2.95 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 30 D 8.86 4.52 0.00 2.68 2.74 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 0.00 0.00 0.00 31 S 7.81 4.35 0.00 3.88 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 32 D 8.95 4.80 0.00 2.82 2.64 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 33 I 8.25 4.65 1.89 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 1.29 0.82 0.95 0.00 0.00 34 N 9.59 5.17 0.00 2.88 2.61 0.00 0.00 6.49 5.39 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 35 L 8.44 5.15 0.00 1.72 1.59 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.43 5.32 0.00 1.94 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 0.00 2.25 2.09 0.00 37 F 10.50 4.90 0.00 2.99 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 38 N 9.22 3.82 0.00 2.02 2.53 0.00 0.00 7.19 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 39 G 8.18 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 0.00 0.00 0.00 40 K 8.13 4.68 0.00 1.76 1.91 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.41 7.81 41 T 8.25 4.78 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 1.29 0.00 0.00 42 V 8.74 4.81 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 0.97 0.00 0.00 43 N 8.67 4.60 0.00 2.74 2.75 0.00 0.00 6.92 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 44 L 8.88 4.05 0.00 1.55 1.68 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 K 9.02 4.34 0.00 1.97 1.77 0.00 1.82 0.00 0.00 1.95 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.42 7.81 *47 I 7.41 4.22 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 1.40 0.98 0.90 0.00 0.00 48 M 8.20 4.11 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 49 G 8.11 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.63 3.58 2.04 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 0.82 0.00 0.00 0.92 0.00 0.00 51 M 8.10 4.22 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 52 S 7.85 4.36 0.00 4.15 3.92 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 0.00 0.00 0.00 53 L 7.29 4.19 0.00 1.39 1.61 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.02 3.68 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 I 7.06 3.47 1.47 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.24 0.62 0.00 0.00 56 Q 8.26 4.58 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 57 K 8.45 3.88 0.00 1.91 1.75 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.67 7.81 58 G 9.37 3.86 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 0.00 0.00 0.00 59 A 7.54 4.79 1.57 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 60 T 8.67 5.12 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 1.26 0.00 0.00 61 I 8.73 4.86 1.92 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 1.47 1.01 0.93 0.00 0.00 62 T 8.68 5.25 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 1.35 0.00 0.00 63 I 8.63 4.96 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 1.35 0.85 0.89 0.00 0.00 64 S 9.40 4.98 0.00 3.71 3.75 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 65 A 8.66 4.86 1.16 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 0.00 0.00 0.00 0.00 0.00 66 E 9.89 4.83 0.00 1.99 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 2.24 2.37 0.00 67 G 8.39 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.48 3.67 0.00 3.91 3.80 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 69 D 8.03 4.86 0.00 2.97 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 70 E 8.51 3.84 0.00 2.36 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.19 0.00 71 A 7.77 3.89 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 72 D 8.21 4.22 0.00 2.81 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 73 A 7.24 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.01 4.02 0.00 1.67 1.73 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.01 4.29 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.32 4.05 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.13 0.00 1.62 1.67 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.57 4.26 0.00 2.57 2.20 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 2.50 2.67 0.00 79 D 7.92 4.37 0.00 2.90 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 80 T 8.71 3.85 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 1.19 0.00 0.00 81 M 7.37 3.48 0.00 1.90 2.20 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 2.54 0.00 82 S 7.87 4.51 0.00 4.00 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 83 K 7.96 3.89 0.00 2.13 1.89 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.47 7.81 84 E 9.02 4.40 0.00 2.08 1.90 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 2.27 2.35 0.00 85 G 8.56 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.53 3.91 0.00 1.78 1.65 0.84 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 87 G 6.39 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 0.00 0.00 0.00 0.00 88 E 8.59 4.47 0.00 2.15 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 2.29 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.