NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6358 8.1476 118.3361 54.6175 33.2861 174.0664 2 V 3.7703 8.2701 119.1204 61.8491 32.4530 174.0353 3 K 5.3458 9.5568 125.7932 53.7858 36.8079 175.7810 4 I 4.9201 8.0280 120.5779 60.8225 40.9394 174.7024 5 R 4.7164 9.0372 124.7759 55.7234 32.5070 173.8148 6 L 4.7584 8.3432 117.7739 54.3872 43.3937 177.2085 7 A 4.2696 8.1108 122.8333 50.0891 21.2364 175.1958 8 R 4.1349 8.5526 121.4201 57.4377 30.5885 175.8277 9 F 4.8703 8.6009 127.0043 57.0271 42.7853 174.6447 10 G 3.8129 8.9212 113.7078 46.3113 0.0000 171.3100 11 S 4.6264 7.9249 114.8711 56.4321 65.2723 172.6178 12 K 4.1921 8.2817 122.6464 58.4092 31.7346 176.6506 13 H 4.3302 9.0642 122.3702 56.1071 26.3235 175.0898 14 N 4.9538 7.6566 116.5190 50.9922 38.2932 172.4259 15 P 3.9563 0.0000 0.0000 63.3377 32.3924 176.6508 16 H 4.3575 7.9363 119.6100 54.4619 31.5424 172.3714 17 Y 4.9736 8.3132 121.4701 57.0481 40.4646 174.7011 18 R 5.0033 8.2891 119.3893 54.5428 33.6632 174.1688 19 I 4.2343 10.1693 128.5502 61.7704 38.0912 175.6252 20 V 5.0466 9.3417 127.1935 59.0161 34.9743 175.7826 21 V 4.7162 7.8225 119.7655 60.2961 29.7310 174.1057 22 T 4.2917 7.3850 116.9749 61.7048 70.6171 173.0993 23 D 4.8310 8.4299 121.1343 52.5844 42.4321 176.4961 24 A 3.9798 8.4411 130.1621 55.7240 18.2916 179.4032 25 R 4.0331 8.7806 112.5545 58.2449 30.1908 177.3640 26 R 4.3048 7.7934 117.4169 55.2481 31.6517 175.5870 27 K 4.4776 8.1881 116.8645 55.5881 34.3855 177.1998 28 R 3.8413 8.7019 121.4821 59.7254 29.7702 178.1393 29 D 4.8485 7.9477 114.9834 54.2334 41.4854 176.4727 30 G 4.1225 7.6581 109.7674 43.3846 0.0000 173.8328 31 K 3.9637 8.6561 120.0087 56.9827 32.0675 175.6879 32 Y 4.7974 7.9707 122.7646 55.0180 40.3301 176.1917 33 I 3.5207 8.1874 125.7076 64.0732 37.6472 175.6417 34 E 4.6929 7.5703 115.5314 55.1534 33.6449 174.9456 35 K 4.9270 9.0847 128.8167 55.4379 33.0752 176.6395 36 I 4.7446 9.7437 123.2593 58.5198 37.4047 173.1671 37 G 3.9224 8.0703 108.4699 45.0519 0.0000 172.7690 38 Y 4.6031 7.2642 123.6580 56.1428 40.8982 174.7491 39 Y 4.9237 9.3396 122.1053 56.9669 42.8460 172.9544 40 D 4.4725 8.5261 127.7966 51.4848 42.4733 174.5615 41 P 4.1103 0.0000 0.0000 62.8134 31.1883 177.0019 42 R 4.1915 7.4230 115.7632 55.3029 31.4777 175.6989 43 K 3.5417 7.2046 117.0975 56.8972 30.1221 176.8511 44 T 3.9063 7.6460 109.7139 63.8913 68.9515 173.9182 45 T 4.7000 7.1635 114.6392 59.4721 69.6732 172.0325 46 P 4.7740 0.0000 0.0000 63.8295 32.4976 176.0865 47 D 4.9539 8.0008 119.2717 51.5459 38.6262 176.1809 48 W 5.1180 7.1464 119.2154 56.2540 29.2896 178.1658 49 L 4.4176 7.9900 116.4885 56.4719 46.1682 173.9862 50 K 3.7525 7.2092 118.5062 56.7985 32.5924 174.8361 51 V 4.5801 7.7243 124.1955 60.6164 34.9775 175.3219 52 D 4.6500 7.9497 123.2227 52.2089 38.8434 176.8230 53 V 3.5172 7.9158 116.9787 64.2189 32.2273 177.0637 54 E 4.1268 8.1620 117.2956 59.6183 29.3397 179.5893 55 R 4.0557 8.0819 116.9223 59.6391 30.2521 178.8225 56 A 3.9817 8.2394 120.7503 55.5918 18.2597 179.7594 57 R 4.0183 7.8399 114.8408 59.4399 30.2098 177.7750 58 Y 4.4104 8.6960 121.6850 59.5367 38.4205 177.6482 59 W 4.4638 8.4268 119.8933 59.2793 29.4199 177.8916 60 L 4.5799 7.5124 118.5925 56.5179 41.7377 178.8278 61 S 4.0846 8.3870 114.0160 61.3233 62.9260 176.0381 62 V 3.5940 7.7562 112.0654 60.5539 31.1527 173.9735 63 G 3.5850 8.5502 114.2271 45.2112 0.0000 172.1293 64 A 4.7972 8.0832 125.1433 48.8852 21.7568 175.5341 65 Q 4.1531 8.7373 121.5125 56.4620 29.8220 174.6167 66 P 5.2037 0.0000 0.0000 60.9428 33.7899 175.7738 67 T 3.9609 8.3887 118.1380 63.8693 68.7729 175.4003 68 D 4.2992 8.8841 125.0332 58.0299 40.9429 178.1932 69 T 4.3092 7.8274 109.9035 62.1844 67.4679 174.5170 70 A 4.4044 7.5473 120.9053 53.6454 20.3983 179.2105 71 R 3.8841 8.4011 117.3948 60.4655 29.8826 177.7506 72 R 3.9322 8.0709 117.6759 59.3673 29.8836 178.0227 73 L 3.5194 7.7216 118.7063 57.3910 41.5194 179.0609 74 L 3.9191 7.6514 119.5255 57.0644 42.2697 178.4386 75 R 3.8286 8.0252 119.3497 59.3655 29.9537 178.0546 76 Q 3.6051 8.6287 118.5286 59.1630 29.0675 177.7746 77 A 4.2692 7.4985 119.7232 51.3724 18.8971 175.3088 78 G 3.6756 8.7300 111.4085 45.3467 0.0000 173.6723 79 V 4.2642 7.6207 121.3986 61.7545 33.5488 175.5815 80 F 5.1189 7.8177 115.6767 57.8782 39.7126 175.7153 81 R 4.3036 7.8024 121.4198 56.1437 30.5073 175.7732 82 Q 4.4433 7.9914 117.7867 54.4852 30.4113 175.4635 83 E 3.8387 8.4194 122.3096 57.5419 28.1612 174.0536 *84 A 4.1104 7.8366 123.3162 52.3933 18.9361 176.1482 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 1 M 8.15 4.64 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 2 V 8.27 3.77 2.13 0.00 0.00 0.00 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 0.98 0.00 0.00 3 K 9.56 5.35 0.00 1.67 1.74 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.37 7.81 4 I 8.03 4.92 1.89 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 1.41 0.99 0.94 0.00 0.00 5 R 9.04 4.72 0.00 1.70 1.97 0.00 2.69 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 6 L 8.34 4.76 0.00 1.26 1.33 0.77 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.11 4.27 0.91 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 8 R 8.55 4.13 0.00 2.29 1.93 0.00 3.25 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 9 F 8.60 4.87 0.00 2.89 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 10 G 8.92 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 11 S 7.92 4.63 0.00 3.87 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 12 K 8.28 4.19 0.00 1.66 1.66 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.14 1.36 7.81 13 H 9.06 4.33 0.00 3.37 3.43 0.00 5.69 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.66 4.95 0.00 2.63 2.89 0.00 0.00 7.09 7.05 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 15 P 0.00 3.96 0.00 1.80 1.68 0.00 3.58 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 16 H 7.94 4.36 0.00 3.03 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.31 4.97 0.00 3.31 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 18 R 8.29 5.00 0.00 2.08 1.65 0.00 3.21 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 19 I 10.17 4.23 2.04 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 1.39 0.82 0.88 0.00 0.00 20 V 9.34 5.05 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 0.81 0.00 0.00 1.08 0.00 0.00 21 V 7.82 4.72 1.72 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 0.21 0.00 0.00 0.28 0.00 0.00 22 T 7.39 4.29 4.32 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 0.00 0.00 0.00 1.20 0.00 0.00 23 D 8.43 4.83 0.00 2.71 2.50 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 0.00 0.00 0.00 0.00 24 A 8.44 3.98 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 25 R 8.78 4.03 0.00 1.85 2.01 0.00 3.17 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 26 R 7.79 4.30 0.00 1.97 1.93 0.00 3.17 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 27 K 8.19 4.48 0.00 1.91 1.93 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.39 7.81 28 R 8.70 3.84 0.00 1.76 2.01 0.00 3.17 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 29 D 7.95 4.85 0.00 2.75 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 30 G 7.66 4.12 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 0.00 0.00 0.00 31 K 8.66 3.96 0.00 1.76 1.78 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.42 7.81 32 Y 7.97 4.80 0.00 3.10 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 33 I 8.19 3.52 1.69 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 1.19 0.63 0.67 0.00 0.00 34 E 7.57 4.69 0.00 1.95 1.51 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 2.18 2.21 0.00 35 K 9.08 4.93 0.00 2.41 1.91 0.00 2.03 0.00 0.00 1.95 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.63 7.81 36 I 9.74 4.74 1.92 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 1.30 0.75 1.03 0.00 0.00 37 G 8.07 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 0.00 0.00 0.00 38 Y 7.26 4.60 0.00 3.05 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 39 Y 9.34 4.92 0.00 3.13 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 40 D 8.53 4.47 0.00 2.79 2.55 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 0.00 41 P 0.00 4.11 0.00 2.18 2.16 0.00 2.96 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 42 R 7.42 4.19 0.00 1.76 1.79 0.00 3.21 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.37 0.00 43 K 7.20 3.54 0.00 1.53 1.38 0.00 0.93 0.00 0.00 1.15 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 7.65 3.91 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 1.14 0.00 0.00 45 T 7.16 4.70 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 1.35 0.00 0.00 46 P 0.00 4.77 0.00 2.30 2.24 0.00 3.84 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 2.04 2.00 0.00 47 D 8.00 4.95 0.00 2.92 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 48 W 7.15 5.12 0.00 3.81 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.42 0.00 0.76 1.10 1.11 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.21 3.75 0.00 1.58 0.74 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 51 V 7.72 4.58 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 0.84 0.00 0.00 0.89 0.00 0.00 52 D 7.95 4.65 0.00 2.82 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 53 V 7.92 3.52 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 0.83 0.00 0.00 0.90 0.00 0.00 54 E 8.16 4.13 0.00 2.19 2.01 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 2.40 2.36 0.00 55 R 8.08 4.06 0.00 1.96 2.22 0.00 3.34 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 2.06 1.84 0.00 56 A 8.24 3.98 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 57 R 7.84 4.02 0.00 2.12 2.02 0.00 3.15 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 58 Y 8.70 4.41 0.00 2.87 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 59 W 8.43 4.46 0.00 3.62 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 60 L 7.51 4.58 0.00 2.11 1.80 1.21 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.39 4.08 0.00 3.79 4.12 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 62 V 7.76 3.59 1.96 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 0.03 0.00 0.00 0.64 0.00 0.00 63 G 8.55 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.80 1.49 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 65 Q 8.74 4.15 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 66 P 0.00 5.20 0.00 1.98 2.08 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 67 T 8.39 3.96 4.18 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 1.16 0.00 0.00 68 D 8.88 4.30 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 69 T 7.83 4.31 4.20 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 0.00 0.00 1.12 0.00 0.00 70 A 7.55 4.40 1.31 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 0.00 0.00 0.00 71 R 8.40 3.88 0.00 1.92 2.19 0.00 3.13 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.11 0.00 72 R 8.07 3.93 0.00 1.92 1.80 0.00 3.26 0.00 0.00 3.31 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 73 L 7.72 3.52 0.00 1.47 1.44 -0.28 0.31 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 74 L 7.65 3.92 0.00 1.81 1.65 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.03 3.83 0.00 2.21 2.16 0.00 3.23 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 76 Q 8.63 3.61 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 77 A 7.50 4.27 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 78 G 8.73 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 79 V 7.62 4.26 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.79 0.00 0.00 80 F 7.82 5.12 0.00 3.06 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 81 R 7.80 4.30 0.00 1.80 1.83 0.00 3.18 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 82 Q 7.99 4.44 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.93 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 83 E 8.42 3.84 0.00 2.15 2.13 0.00 0.00 0.00 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 2.24 0.00 *84 A 7.84 4.11 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 * Residues marked with a * may have inaccurate shift predictions.