NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1753 8.2516 118.1439 55.4493 32.2674 175.4457 2 V 3.7456 8.1658 126.5845 60.6872 29.4711 174.3194 3 Q 4.2923 8.1889 125.1135 57.1608 30.8342 174.0581 4 Q 4.7690 7.6700 120.3205 56.1026 32.2189 172.6329 5 K 4.9030 8.5083 123.8934 54.7144 34.9463 175.0905 6 V 4.4861 8.9042 126.3168 61.5686 36.0037 172.9449 7 E 4.7159 8.5992 124.2612 55.0217 31.2395 176.4905 8 V 4.5841 8.8067 120.0192 59.9441 31.2545 176.6859 9 R 3.7942 8.2124 121.5085 59.7528 30.5070 175.8738 10 L 3.8677 7.6917 117.9270 55.4768 41.8466 178.3688 11 K 4.0315 8.6924 122.6080 58.5961 32.1733 177.3906 12 T 4.1982 7.9132 112.6844 60.5074 67.6080 175.3566 13 G 3.8554 7.7916 110.2708 46.1957 0.0000 173.8907 14 L 4.3819 7.3174 117.6084 53.6946 40.6843 175.1782 15 Q 4.3913 7.2840 118.1404 55.7745 33.4459 175.0284 16 A 3.8815 8.4351 120.6132 53.3931 17.2732 178.2083 17 R 4.1270 8.4202 111.0393 59.1145 30.0354 178.0237 18 P 4.2983 0.0000 0.0000 65.1951 31.3243 178.2069 19 A 4.3127 8.0206 119.1113 55.1548 18.3576 179.2610 20 A 3.9808 7.6180 117.7674 55.5304 18.4752 179.3660 21 L 3.9066 8.6886 119.2151 58.4030 42.0609 178.8373 22 F 4.1012 9.3730 121.5266 61.6102 39.2116 177.1912 23 V 3.9447 8.0681 117.9742 65.3026 31.4858 177.7150 24 Q 4.0007 8.0475 119.2619 59.3258 28.8387 177.6246 25 E 3.7537 8.3891 119.7666 59.6752 29.4203 179.5410 26 A 4.2444 7.8581 120.4884 54.9132 18.2326 178.7013 27 N 4.6144 7.9106 112.1602 54.5244 38.6411 176.5039 28 R 4.0167 7.1116 117.7127 55.5791 30.7750 175.8943 29 F 5.0914 7.0078 117.4837 55.7725 41.3391 175.8437 30 T 4.1061 8.2428 117.6291 64.6861 67.8772 175.4584 31 S 4.4207 8.1603 118.1393 58.1776 64.3787 173.6418 32 D 4.7807 8.9260 124.4946 54.5935 42.0064 175.1436 33 I 5.2295 8.3240 123.1639 59.5408 40.7675 174.3104 34 F 5.1657 9.3380 124.9403 55.6042 41.9465 173.8433 35 L 5.2205 8.5887 125.1391 53.4857 44.6060 174.6483 36 E 4.7454 10.0536 125.9762 54.3841 33.5606 174.1669 37 K 4.5750 8.2518 126.0032 55.4065 34.3987 176.4930 38 D 3.9309 8.5888 124.1136 54.6318 38.0806 173.9764 39 G 4.0680 8.2989 123.0073 44.6496 0.0000 173.8701 40 K 4.2121 7.5506 117.6338 54.7076 33.8630 176.2377 41 K 4.3134 7.7521 116.7814 55.8293 34.2568 173.6004 42 V 4.6045 7.7591 125.6037 60.2746 35.9031 173.1216 43 N 3.9291 8.8381 120.9021 53.8857 38.6483 174.3469 44 A 4.1558 9.0410 129.9720 53.8237 19.4814 177.1882 45 K 4.4214 8.5260 116.8149 54.8880 31.0201 175.9252 *47 I 4.2347 7.6009 123.1784 61.5783 39.2617 177.7259 48 M 4.0765 8.1923 117.8748 59.3699 31.9585 178.3877 49 G 3.7224 8.2538 104.2356 47.9373 0.0000 174.4736 50 L 3.9380 7.9123 121.2181 58.1166 42.4287 179.7084 51 M 4.0927 8.4122 118.2823 58.2651 31.5723 178.7630 52 S 4.2056 7.9995 113.0434 60.9152 62.5738 175.5294 53 L 3.9404 7.4826 122.0093 56.6200 42.9523 176.7719 54 A 3.5947 7.4768 117.0173 53.0266 15.8489 177.5157 55 I 3.8595 7.2108 122.7977 61.4702 38.5355 176.1555 56 S 4.9104 7.9408 117.0053 56.1742 66.3198 173.6167 57 T 3.9720 8.2574 116.2702 64.1804 67.0820 173.2271 58 G 4.0796 9.2465 117.2719 45.6867 0.0000 173.6806 59 T 3.8497 7.1644 115.2895 64.3382 69.3987 174.2832 60 E 4.4457 8.7304 125.7659 55.1241 29.4749 175.1461 61 I 4.6090 8.3127 120.8044 59.5521 40.7394 174.5415 62 T 5.0775 8.9406 118.0572 61.8760 72.4787 173.5614 63 L 5.1810 8.3903 123.8140 53.3973 45.1433 176.0050 64 I 4.7954 8.6890 119.9516 60.1426 42.1521 174.2968 65 A 5.4892 8.7964 127.1932 50.3722 22.6510 175.0776 66 Q 5.4160 8.0481 120.3467 53.8317 29.9409 174.1013 67 G 4.1881 8.6956 113.8926 45.9084 0.0000 170.9776 68 E 3.6235 8.2295 117.5020 59.6296 30.4571 177.4732 69 D 4.8584 7.8397 117.3670 53.7469 41.4575 178.4358 70 E 3.8984 8.4813 122.2921 60.6016 29.4206 177.8250 71 Q 3.7840 7.9356 120.0362 58.9893 29.2855 176.9099 72 E 3.8543 8.2852 119.5471 59.8583 29.5096 178.1814 73 A 2.0000 7.4730 119.5509 54.7782 18.1315 179.0474 74 L 3.7932 7.7126 117.1609 58.3000 42.3492 179.2596 75 E 3.9498 8.5936 118.5666 60.1720 29.4677 178.5860 76 K 4.1660 8.8044 120.5414 57.7537 32.0205 178.9126 77 L 3.9744 8.4111 118.3999 57.8137 41.9320 179.3706 78 A 4.0524 8.3493 120.4468 55.5671 18.1540 179.5178 79 A 4.0546 7.7308 117.0026 55.4641 18.4262 178.9714 80 Y 4.3752 8.0962 117.4290 60.9011 39.2294 177.6684 81 V 3.5446 8.3489 119.6401 65.6966 31.7934 177.1924 82 Q 4.1076 8.5118 117.5856 56.2869 28.5647 176.6260 83 E 3.6892 7.5103 117.2124 57.4056 29.4983 173.8393 84 E 4.2563 7.9217 121.5714 57.2763 29.6232 175.8062 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 8.25 5.18 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 2 V 8.17 3.75 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 0.72 0.00 0.00 0.95 0.00 0.00 3 Q 8.19 4.29 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 4 Q 7.67 4.77 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.63 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 5 K 8.51 4.90 0.00 1.75 1.63 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.33 7.81 6 V 8.90 4.49 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 7 E 8.60 4.72 0.00 1.99 1.92 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 2.40 2.46 0.00 8 V 8.81 4.58 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 0.65 0.00 0.00 0.80 0.00 0.00 9 R 8.21 3.79 0.00 1.97 2.10 0.00 3.26 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 10 L 7.69 3.87 0.00 1.66 1.53 0.61 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.69 4.03 0.00 1.73 1.85 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.41 7.81 12 T 7.91 4.20 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 1.19 0.00 0.00 13 G 7.79 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 14 L 7.32 4.38 0.00 1.42 1.48 0.46 0.46 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 15 Q 7.28 4.39 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.84 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 16 A 8.44 3.88 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 17 R 8.42 4.13 0.00 1.92 1.98 0.00 3.21 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 18 P 0.00 4.30 0.00 2.23 2.16 0.00 3.91 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 2.13 2.21 0.00 19 A 8.02 4.31 1.47 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 0.00 0.00 0.00 20 A 7.62 3.98 1.42 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 0.00 0.00 21 L 8.69 3.91 0.00 2.06 1.96 0.95 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 22 F 9.37 4.10 0.00 3.51 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 23 V 8.07 3.94 2.27 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 1.02 0.00 0.00 1.14 0.00 0.00 24 Q 8.05 4.00 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.47 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 25 E 8.39 3.75 0.00 1.80 1.76 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 2.00 1.95 0.00 26 A 7.86 4.24 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 27 N 7.91 4.61 0.00 2.80 2.82 0.00 0.00 7.05 6.99 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 28 R 7.11 4.02 0.00 1.01 1.49 0.00 3.01 0.00 0.00 2.99 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 29 F 7.01 5.09 0.00 3.14 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 30 T 8.24 4.11 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 1.32 0.00 0.00 31 S 8.16 4.42 0.00 3.84 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 32 D 8.93 4.78 0.00 2.91 2.72 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 33 I 8.32 5.23 1.88 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 1.33 1.03 1.02 0.00 0.00 34 F 9.34 5.17 0.00 2.88 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 35 L 8.59 5.22 0.00 1.83 1.55 0.58 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 E 10.05 4.75 0.00 1.92 1.73 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 2.19 2.46 0.00 37 K 8.25 4.58 0.00 1.78 1.66 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.33 7.81 38 D 8.59 3.93 0.00 2.89 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 39 G 8.30 4.07 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 0.00 0.00 0.00 40 K 7.55 4.21 0.00 1.81 1.71 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.44 7.81 41 K 7.75 4.31 0.00 1.83 1.69 0.00 2.14 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.39 7.81 42 V 7.76 4.60 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 0.90 0.00 0.00 0.97 0.00 0.00 43 N 8.84 3.93 0.00 2.59 2.68 0.00 0.00 6.91 7.96 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 44 A 9.04 4.16 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 45 K 8.53 4.42 0.00 1.74 1.94 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.38 1.33 7.81 *47 I 7.60 4.23 1.89 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 1.44 0.65 0.93 0.00 0.00 48 M 8.19 4.08 0.00 1.99 2.14 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 2.62 2.64 0.00 49 G 8.25 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 L 7.91 3.94 0.00 1.75 1.76 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.41 4.09 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 52 S 8.00 4.21 0.00 4.04 3.97 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 53 L 7.48 3.94 0.00 1.72 1.66 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.48 3.59 1.42 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 0.00 0.00 55 I 7.21 3.86 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 0.84 0.00 0.00 56 S 7.94 4.91 0.00 3.84 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 57 T 8.26 3.97 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 1.19 0.00 0.00 58 G 9.25 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 0.00 0.00 0.00 59 T 7.16 3.85 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 1.18 0.00 0.00 60 E 8.73 4.45 0.00 1.94 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 2.22 2.34 0.00 61 I 8.31 4.61 1.83 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 1.14 0.82 0.85 0.00 0.00 62 T 8.94 5.08 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 1.31 0.00 0.00 63 L 8.39 5.18 0.00 1.58 1.64 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.69 4.80 2.17 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 1.10 0.49 0.91 0.00 0.00 65 A 8.80 5.49 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 66 Q 8.05 5.42 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 67 G 8.70 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 0.00 0.00 0.00 0.00 68 E 8.23 3.62 0.00 1.97 1.93 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 2.32 2.37 0.00 69 D 7.84 4.86 0.00 3.15 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 70 E 8.48 3.90 0.00 2.20 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 71 Q 7.94 3.78 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 72 E 8.29 3.85 0.00 2.12 2.18 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 2.65 2.51 0.00 73 A 7.47 2.00 0.56 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 74 L 7.71 3.79 0.00 1.79 1.81 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.59 3.95 0.00 2.17 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 2.33 2.44 0.00 76 K 8.80 4.17 0.00 2.03 1.88 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.76 7.81 77 L 8.41 3.97 0.00 1.78 1.91 0.81 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.35 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 4.05 1.47 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 0.00 0.00 0.00 80 Y 8.10 4.38 0.00 2.98 3.36 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 81 V 8.35 3.54 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 0.88 0.00 0.00 1.17 0.00 0.00 82 Q 8.51 4.11 0.00 2.37 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 5.80 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 83 E 7.51 3.69 0.00 2.05 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 0.00 2.16 2.50 0.00 84 E 7.92 4.26 0.00 2.05 1.86 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 2.30 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.