NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6379 8.1476 118.3367 54.6271 33.7798 174.1348 2 V 3.9415 8.2650 119.3799 61.8942 32.4629 173.8648 3 K 5.6056 10.2838 126.2188 53.7048 37.1038 175.7988 4 I 4.9635 8.1188 120.5611 60.5695 40.9770 174.8629 5 R 5.0675 9.0158 123.7465 54.6442 33.4952 173.1279 6 L 4.9911 8.5476 118.5218 53.6304 43.1296 176.1847 7 A 4.6751 8.3731 126.3492 49.8231 20.9049 176.1817 8 R 3.6523 8.3706 123.1497 57.2256 31.2131 175.9899 9 F 4.4064 8.1330 119.2572 57.7712 43.3965 174.0597 10 G 3.9176 9.0894 107.4064 46.7098 0.0000 171.3730 11 S 4.7272 8.1152 117.7795 55.9550 66.0771 172.9035 12 K 3.9175 8.3275 122.4531 58.1159 31.7746 176.0740 13 H 4.2872 9.4291 123.6266 56.7833 25.4126 174.8450 14 N 4.9252 7.9425 115.4401 51.5462 38.9371 171.7375 15 P 4.0183 0.0000 0.0000 62.9971 31.7371 176.3334 16 H 4.7606 8.6360 122.9407 53.9536 31.0262 173.5714 17 Y 4.4546 8.7857 121.8390 57.6820 40.0609 175.1524 18 R 4.8264 8.9779 120.0899 55.1598 33.0368 174.0236 19 I 4.1656 8.5308 128.6630 62.0700 38.2468 175.8104 20 V 4.8603 9.0275 125.8973 60.2371 34.9678 173.8181 21 V 4.3710 8.2630 122.8577 61.5049 33.2596 174.9034 22 T 4.1043 8.3011 116.9637 61.6405 71.9636 170.7451 23 D 4.9628 8.3336 122.8473 53.1025 41.8352 176.6365 24 A 3.9654 8.4770 129.2908 55.7511 18.4233 178.8914 25 R 4.0836 9.0621 113.4281 58.0649 30.2994 177.2798 26 R 4.2555 7.8634 117.6819 55.1137 30.9388 176.2584 27 K 4.2109 8.2487 118.1587 56.1823 33.0263 176.8412 28 R 3.7091 8.1072 118.1874 60.3014 30.4126 176.8638 29 D 4.5827 7.6623 118.8154 54.2418 41.2847 175.9679 30 G 4.1616 7.3518 109.3983 43.5929 0.0000 173.0786 31 K 4.0237 8.5412 120.7259 56.3412 32.6680 176.2373 32 Y 4.9195 7.3249 123.2752 54.7833 40.7131 175.5483 33 I 3.8323 7.9463 122.5290 64.4324 37.8193 176.3261 34 E 4.9070 7.8717 118.2781 55.3166 32.7313 174.4854 35 K 4.8503 9.1818 127.7205 55.6384 33.2206 175.9921 36 I 4.5281 8.3795 118.0916 60.2176 40.1086 174.8450 37 G 4.1228 7.5907 108.5754 46.6067 0.0000 170.9765 38 Y 5.4781 6.8533 116.6645 56.0236 42.5942 173.8118 39 Y 5.2189 8.7801 119.1952 57.2182 42.8542 172.7780 40 D 4.6043 9.1989 128.7047 51.9106 41.5224 175.0790 41 P 4.6956 0.0000 0.0000 63.7040 31.2466 177.1168 42 R 4.2373 7.7277 117.0259 56.3727 30.7918 177.5480 43 K 3.8732 7.0638 113.1473 57.9874 28.3320 174.5229 44 T 4.5514 8.1848 117.1215 60.7846 69.5948 175.2848 45 T 4.1856 7.4526 114.0555 61.9978 69.9074 170.5685 46 P 4.5723 0.0000 0.0000 65.6890 31.8494 177.1985 47 D 4.7022 7.9638 119.9639 52.6111 39.5185 175.7036 48 W 4.9610 7.2748 114.2815 55.6872 30.3753 177.1092 49 L 4.7113 7.0760 116.8541 55.0185 43.3755 173.0955 50 K 4.4392 7.4305 128.0577 54.4598 35.6961 175.2446 51 V 4.3226 7.7847 124.8034 60.7683 34.4813 175.0838 52 D 4.5665 9.6496 128.9044 53.4421 39.8637 176.4726 53 V 3.6087 8.0836 119.4789 64.2453 31.6074 177.3566 54 E 3.9524 8.3179 116.5395 59.4485 29.4111 179.2578 55 R 4.2288 7.8868 115.7816 58.8320 30.5119 178.4608 56 A 4.1139 7.8745 118.9870 55.5768 18.4724 179.8213 57 R 3.9098 8.1044 116.3073 60.2324 30.2430 177.6776 58 Y 3.7462 8.0374 119.8828 60.0127 38.3012 177.9966 59 W 4.7186 8.0805 122.2057 59.8510 29.6999 177.9259 60 L 4.3208 7.8562 118.4171 56.9867 40.9619 178.9620 61 S 4.3146 8.3367 114.3365 60.2126 62.3985 175.6679 62 V 3.8799 7.1842 115.3272 60.5399 32.1634 173.8122 63 G 3.7591 8.4862 113.7156 45.9622 0.0000 175.0961 64 A 5.3244 8.0597 129.5751 49.9445 19.7083 175.7324 65 Q 4.0092 7.7571 120.2689 54.7098 30.0363 176.9359 66 P 5.3153 0.0000 0.0000 61.1850 33.5649 175.1327 67 T 3.9571 8.4621 118.0796 64.2607 69.7627 175.2347 68 D 4.3330 8.8124 121.6498 57.8814 40.7967 178.5950 69 T 3.9947 7.7044 110.1229 63.3864 67.5805 175.1029 70 A 4.2376 7.6405 122.3031 55.5303 19.0858 179.7648 71 R 4.0543 7.8633 114.0561 59.2832 29.1982 178.6660 72 R 3.8803 7.9737 119.0637 59.5918 29.7613 178.0803 73 L 3.9456 7.5911 116.3315 56.6634 41.9016 178.9036 74 L 4.2708 7.6170 119.0952 57.1482 41.9527 178.8530 75 R 4.0882 9.0350 120.1417 59.6309 30.0587 177.9449 76 Q 4.1526 8.2396 115.0842 57.3797 28.8041 175.8780 77 A 4.5086 7.8643 118.5119 51.5972 19.9458 177.0770 78 G 4.0359 8.2840 105.4715 47.9640 0.0000 173.7612 79 V 4.0550 7.6397 116.1630 63.7703 33.5190 176.0073 80 F 4.4818 8.3592 116.2432 57.1591 38.7971 175.5294 81 R 4.3764 7.7133 121.7499 56.3959 30.7058 174.9910 82 Q 4.5751 8.5102 114.9688 55.5089 34.1583 173.8605 83 E 3.7897 8.0158 119.8984 57.0090 28.1039 173.9816 *84 A 4.1104 7.7295 124.8298 52.4900 18.9361 176.2464 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 2.10 2.30 0.00 0.00 0.00 0.00 0.00 -0.16 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 3.94 2.12 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 0.80 0.00 0.00 0.95 0.00 0.00 3 K 10.28 5.61 0.00 1.58 1.76 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.43 7.81 4 I 8.12 4.96 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 0.93 0.00 0.00 5 R 9.02 5.07 0.00 1.81 2.02 0.00 3.04 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 6 L 8.55 4.99 0.00 1.59 2.00 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.37 4.68 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.65 0.00 1.55 1.53 0.00 3.09 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.00 9 F 8.13 4.41 0.00 3.27 2.83 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 0.00 0.00 0.00 10 G 9.09 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 11 S 8.12 4.73 0.00 3.81 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 12 K 8.33 3.92 0.00 1.66 1.69 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.08 1.32 7.81 13 H 9.43 4.29 0.00 3.39 3.43 0.00 5.73 0.00 0.00 0.00 0.00 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.94 4.93 0.00 2.60 2.83 0.00 0.00 7.18 7.69 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 15 P 0.00 4.02 0.00 2.10 2.10 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 16 H 8.64 4.76 0.00 3.04 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.79 4.45 0.00 3.34 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 18 R 8.98 4.83 0.00 2.13 2.07 0.00 3.05 0.00 0.00 3.07 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 19 I 8.53 4.17 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.19 0.92 0.00 0.00 20 V 9.03 4.86 1.66 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 0.85 0.00 0.00 0.83 0.00 0.00 21 V 8.26 4.37 1.54 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 0.20 0.00 0.00 -0.15 0.00 0.00 22 T 8.30 4.10 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 1.20 0.00 0.00 23 D 8.33 4.96 0.00 2.76 2.52 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 24 A 8.48 3.97 1.38 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 0.00 0.00 25 R 9.06 4.08 0.00 1.85 2.00 0.00 3.17 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 26 R 7.86 4.26 0.00 1.81 1.89 0.00 3.16 0.00 0.00 3.50 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 27 K 8.25 4.21 0.00 1.93 1.93 0.00 1.54 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.42 7.81 28 R 8.11 3.71 0.00 1.77 1.92 0.00 3.25 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 29 D 7.66 4.58 0.00 2.59 2.42 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 30 G 7.35 4.16 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 0.00 31 K 8.54 4.02 0.00 1.69 1.70 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.26 7.81 32 Y 7.32 4.92 0.00 3.27 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 33 I 7.95 3.83 1.44 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 1.09 0.53 0.81 0.00 0.00 34 E 7.87 4.91 0.00 2.12 1.71 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 2.33 2.36 0.00 35 K 9.18 4.85 0.00 1.98 1.85 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.41 7.81 36 I 8.38 4.53 1.93 0.00 0.00 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 1.17 0.81 1.10 0.00 0.00 37 G 7.59 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 38 Y 6.85 5.48 0.00 3.10 3.09 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 39 Y 8.78 5.22 0.00 3.10 2.99 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 0.00 0.00 0.00 0.00 40 D 9.20 4.60 0.00 2.80 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 41 P 0.00 4.70 0.00 2.20 1.96 0.00 3.34 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.21 0.00 42 R 7.73 4.24 0.00 1.72 1.86 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 1.50 1.51 0.00 43 K 7.06 3.87 0.00 1.31 1.08 0.00 1.10 0.00 0.00 1.30 0.00 0.00 2.61 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 8.18 4.55 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 1.19 0.00 0.00 45 T 7.45 4.19 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 1.33 0.00 0.00 46 P 0.00 4.57 0.00 2.29 2.26 0.00 3.89 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 2.07 2.06 0.00 47 D 7.96 4.70 0.00 2.80 2.83 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 0.00 0.00 0.00 48 W 7.27 4.96 0.00 3.72 3.44 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 49 L 7.08 4.71 0.00 1.38 0.63 0.87 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.43 4.44 0.00 1.17 0.74 0.00 1.51 0.00 0.00 1.39 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.39 7.81 51 V 7.78 4.32 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 0.75 0.00 0.00 0.87 0.00 0.00 52 D 9.65 4.57 0.00 2.75 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 53 V 8.08 3.61 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 0.80 0.00 0.00 0.90 0.00 0.00 54 E 8.32 3.95 0.00 2.13 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 0.00 2.32 2.37 0.00 55 R 7.89 4.23 0.00 2.11 2.16 0.00 3.30 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 56 A 7.87 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.10 3.91 0.00 1.84 1.93 0.00 3.24 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 58 Y 8.04 3.75 0.00 2.84 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 59 W 8.08 4.72 0.00 3.42 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 60 L 7.86 4.32 0.00 1.80 1.64 0.74 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.34 4.31 0.00 3.79 4.03 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 0.00 0.00 0.00 0.00 62 V 7.18 3.88 1.98 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 0.22 0.00 0.00 0.87 0.00 0.00 63 G 8.49 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 64 A 8.06 5.32 1.38 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 0.00 0.00 65 Q 7.76 4.01 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 66 P 0.00 5.32 0.00 2.13 2.10 0.00 3.86 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 2.01 2.14 0.00 67 T 8.46 3.96 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 1.21 0.00 0.00 68 D 8.81 4.33 0.00 2.66 2.67 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 69 T 7.70 3.99 4.19 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 1.17 0.00 0.00 70 A 7.64 4.24 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 71 R 7.86 4.05 0.00 2.10 2.35 0.00 2.92 0.00 0.00 3.02 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.48 0.00 72 R 7.97 3.88 0.00 1.95 1.87 0.00 3.12 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 73 L 7.59 3.95 0.00 1.65 1.51 0.13 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.62 4.27 0.00 2.18 2.00 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 R 9.04 4.09 0.00 1.28 1.93 0.00 2.96 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 76 Q 8.24 4.15 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 77 A 7.86 4.51 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 78 G 8.28 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 79 V 7.64 4.06 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 0.63 0.00 0.00 1.02 0.00 0.00 80 F 8.36 4.48 0.00 2.99 3.08 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 81 R 7.71 4.38 0.00 1.81 1.85 0.00 3.28 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 82 Q 8.51 4.58 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.88 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 83 E 8.02 3.79 0.00 2.15 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 0.00 2.20 2.23 0.00 *84 A 7.73 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.