NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3575 8.2549 119.0614 55.2023 30.7255 177.5271 8 P 2.9700 0.0000 0.0000 61.7734 32.5479 173.7581 9 N 4.9846 8.2297 119.8007 51.9283 43.2890 173.6758 10 H 4.4036 8.9897 119.8493 58.5849 30.0987 175.0545 11 T 5.2861 8.5560 115.5261 61.6299 71.0305 173.5928 12 I 4.8109 8.6613 119.7428 59.2824 40.1880 173.8948 13 Y 4.0755 9.0184 129.0694 56.7823 40.0003 173.8490 14 I 4.6960 7.9349 128.7496 59.5280 39.8935 174.6204 15 N 4.9746 8.3150 124.6519 50.8960 41.2147 173.4870 16 N 4.0046 8.6031 113.6423 54.8879 37.1103 173.9589 17 L 4.5723 7.5155 115.0763 52.8362 43.5470 176.5123 18 N 4.3804 8.5526 119.9652 53.9087 39.0219 175.5871 19 E 4.2449 8.6471 125.0569 57.9674 30.0320 177.7460 20 K 4.1359 7.9538 117.2668 57.4652 32.5111 177.0685 21 I 3.9765 6.7309 119.4393 59.8620 38.1238 176.6778 22 K 4.1547 8.2186 123.7479 55.7758 33.9968 178.0871 23 K 3.8455 8.5616 122.4663 60.0962 32.0924 178.6677 24 D 4.3661 8.0101 117.5470 56.9709 41.2027 177.5284 25 E 3.9634 8.1176 119.4632 59.2324 29.6827 178.3813 26 L 4.1476 8.0355 120.3055 58.1858 42.1689 178.7930 27 K 3.9807 8.2112 119.5514 59.5055 32.2211 178.7574 28 K 4.2742 8.4317 118.5729 59.0356 31.7394 179.5513 29 S 4.3704 8.7115 116.1974 61.6609 62.9413 176.6600 30 L 3.9181 8.5691 121.9158 57.9212 41.2006 179.0103 31 H 4.2353 8.1798 116.9009 58.9156 29.5416 176.9256 32 A 4.0597 7.7382 121.6393 55.3241 18.5863 179.3809 33 I 3.7605 7.3325 117.5878 64.3141 37.6490 178.3345 34 F 4.9271 8.2277 117.1291 59.1835 38.5722 177.5841 35 S 4.2238 7.9693 115.5025 61.5361 62.2910 176.7679 36 R 3.8961 7.3578 117.7775 59.1539 29.1670 178.1004 37 F 4.2889 8.2377 117.4751 59.1882 39.5532 175.6120 38 G 4.3726 6.9951 105.5600 45.9857 0.0000 171.0494 39 Q 4.3460 8.3039 122.2972 55.7252 30.4239 176.0613 40 I 4.3175 8.3120 127.6526 60.3461 37.7700 175.6080 41 L 4.2940 8.9446 128.3331 57.2676 42.5760 177.0223 42 D 4.5722 7.6285 115.3999 53.1915 44.7720 174.3750 43 I 4.8604 8.0969 126.1825 59.6053 39.3277 175.2027 44 L 4.4544 8.7115 128.9492 53.8214 42.7494 176.4021 45 V 4.7827 8.4212 123.6523 61.1059 34.3910 174.4910 46 S 4.8166 8.7760 120.5551 56.6925 65.5938 173.3920 47 R 4.6280 8.3504 121.4435 55.7793 30.6275 175.6745 48 S 4.4060 7.9149 111.3365 57.1147 63.7793 174.6113 49 L 3.8723 8.5924 123.4658 58.1516 41.7572 178.2585 50 K 4.2251 8.0153 117.7985 58.0060 32.5072 176.7349 51 M 4.7974 7.3914 114.9679 54.5850 32.9500 176.0412 52 R 4.2439 7.6714 116.4246 56.5118 30.5461 177.4845 53 G 3.9762 8.8633 106.6476 46.0700 0.0000 172.7630 54 Q 4.9394 7.4705 116.7911 53.9043 32.5701 174.6130 55 A 4.8263 8.4990 122.2047 50.6067 23.5856 175.5095 56 F 4.9004 8.8564 118.3283 55.6042 41.4160 173.9917 57 V 4.0747 8.0885 124.8621 61.9341 32.8420 174.5380 58 I 4.6292 8.3120 129.4539 59.9253 38.7314 174.7991 59 F 5.1295 9.2009 126.7021 55.7759 40.2609 176.3518 60 K 4.2241 8.9227 124.2398 58.8874 32.8214 177.0553 61 E 4.8421 8.1598 118.4938 54.1378 32.1990 177.0554 62 V 3.5424 8.3098 121.7458 66.1002 31.0670 178.0948 63 S 4.0360 8.1715 112.4692 61.8351 61.9645 176.3575 64 S 4.1170 7.8999 116.8734 61.1304 62.6847 176.4456 65 A 3.3725 7.4981 123.1414 54.8702 18.2288 179.6578 66 T 4.1173 7.9884 115.8292 66.5285 68.5823 176.3736 67 N 4.2813 7.7084 116.9697 56.5106 38.6016 177.2149 68 A 2.5800 7.1026 121.3319 54.5601 18.1508 179.5198 69 L 3.7430 7.2442 117.3037 58.0995 42.1812 179.0312 70 R 4.0203 8.0884 117.3973 59.2921 30.2063 178.9025 71 S 4.3895 8.2691 115.0308 61.6499 63.3320 176.1562 72 M 4.3150 7.7564 119.1547 54.8824 31.7336 176.1898 73 Q 4.1138 7.0689 120.1929 57.6635 29.4395 177.0408 74 G 3.9317 8.9220 112.5575 45.5032 0.0000 173.4736 75 F 4.0786 8.1812 123.4613 57.5236 39.6993 172.4494 76 P 4.5874 0.0000 0.0000 62.3559 31.2951 175.7859 77 F 4.6646 8.7779 126.1824 57.3813 40.9832 173.7798 78 Y 3.3440 8.5708 128.1032 59.3665 34.7675 171.9132 79 D 4.7707 8.3654 117.7859 54.0854 40.1066 174.7203 80 K 4.8129 7.4183 118.2652 53.4522 35.0330 173.8541 81 P 4.8138 0.0000 0.0000 62.9432 32.1668 176.1521 82 M 4.4033 9.1953 124.3965 55.2472 33.6300 175.2019 83 R 5.0240 8.7101 122.4596 54.6960 32.8837 174.2053 84 I 4.8527 8.8243 127.5592 59.7179 39.2938 175.1190 85 Q 4.6496 8.9722 125.3989 53.7940 32.9135 174.5122 86 Y 4.7930 8.2328 117.2187 57.5409 39.4656 175.3002 87 A 4.3523 9.0124 127.7648 52.6629 18.4596 178.6835 88 K 4.0476 9.1173 124.4712 57.0798 32.0049 174.5774 89 T 4.8425 7.4364 106.1426 59.1520 71.8565 173.2850 90 D 4.5341 8.4644 122.0453 54.5675 41.7099 176.8287 91 S 4.4698 8.3807 118.1019 57.9520 63.9421 175.2064 92 D 4.3378 8.6249 123.0085 57.6154 40.7038 178.2581 93 I 3.7927 7.6424 117.4654 63.2149 38.3956 175.4600 94 I 3.9614 7.3913 125.2713 61.4307 36.9627 175.3810 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 *7 R 8.25 4.36 0.00 1.85 1.59 0.00 3.24 0.00 0.00 3.22 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.74 1.36 0.00 3.40 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 1.82 1.82 0.00 9 N 8.23 4.98 0.00 2.62 2.92 0.00 0.00 7.06 7.89 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 10 H 8.99 4.40 0.00 3.25 3.64 0.00 5.83 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.56 5.29 4.42 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 1.49 0.00 0.00 12 I 8.66 4.81 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 1.36 1.10 0.93 0.00 0.00 13 Y 9.02 4.08 0.00 2.94 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 14 I 7.93 4.70 1.59 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.31 0.83 0.00 0.00 15 N 8.32 4.97 0.00 2.65 2.53 0.00 0.00 6.18 6.81 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 16 N 8.60 4.00 0.00 2.87 3.06 0.00 0.00 6.86 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 17 L 7.52 4.57 0.00 1.75 1.66 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.55 4.38 0.00 2.72 2.48 0.00 0.00 7.01 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 19 E 8.65 4.24 0.00 1.97 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 0.00 2.37 2.49 0.00 20 K 7.95 4.14 0.00 2.09 1.79 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.73 3.98 1.50 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.16 0.51 0.00 0.00 22 K 8.22 4.15 0.00 1.77 1.71 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.45 7.81 23 K 8.56 3.85 0.00 1.78 1.82 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.47 7.81 24 D 8.01 4.37 0.00 2.80 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 25 E 8.12 3.96 0.00 2.10 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 2.53 2.46 0.00 26 L 8.04 4.15 0.00 1.87 1.92 1.19 0.57 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 27 K 8.21 3.98 0.00 2.10 1.98 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.62 7.81 28 K 8.43 4.27 0.00 2.01 1.90 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.26 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.59 7.81 29 S 8.71 4.37 0.00 4.47 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 30 L 8.57 3.92 0.00 1.80 1.80 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.18 4.24 0.00 3.45 3.46 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.74 4.06 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 33 I 7.33 3.76 1.42 0.00 0.00 0.46 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 0.76 0.22 0.00 0.00 34 F 8.23 4.93 0.00 3.24 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.97 4.22 0.00 4.01 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 0.00 36 R 7.36 3.90 0.00 1.78 1.89 0.00 2.21 0.00 0.00 2.68 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.00 37 F 8.24 4.29 0.00 3.37 3.14 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 38 G 7.00 4.37 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 0.00 39 Q 8.30 4.35 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 40 I 8.31 4.32 1.81 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 0.63 0.56 0.75 0.00 0.00 41 L 8.94 4.29 0.00 1.45 1.70 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.63 4.57 0.00 2.66 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 43 I 8.10 4.86 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.90 0.00 0.00 44 L 8.71 4.45 0.00 1.77 1.66 0.97 0.32 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 V 8.42 4.78 2.11 0.00 0.00 0.00 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 0.97 0.00 0.00 46 S 8.78 4.82 0.00 3.87 3.69 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 0.00 0.00 0.00 0.00 47 R 8.35 4.63 0.00 1.74 1.83 0.00 3.31 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 48 S 7.91 4.41 0.00 4.09 3.99 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 49 L 8.59 3.87 0.00 1.61 1.79 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.02 4.23 0.00 1.78 1.85 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 51 M 7.39 4.80 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 52 R 7.67 4.24 0.00 1.99 2.16 0.00 3.15 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 53 G 8.86 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 0.00 0.00 0.00 0.00 54 Q 7.47 4.94 0.00 2.01 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.61 0.00 0.00 0.00 0.00 0.00 2.15 2.39 0.00 55 A 8.50 4.83 1.08 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 56 F 8.86 4.90 0.00 3.02 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 57 V 8.09 4.07 1.65 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 0.29 0.00 0.00 0.48 0.00 0.00 58 I 8.31 4.63 1.91 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 0.46 0.94 0.00 0.00 59 F 9.20 5.13 0.00 3.06 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.92 4.22 0.00 1.87 1.93 0.00 1.96 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.46 7.81 61 E 8.16 4.84 0.00 2.06 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 2.36 2.24 0.00 62 V 8.31 3.54 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 0.95 0.00 0.00 0.65 0.00 0.00 63 S 8.17 4.04 0.00 3.92 3.87 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 64 S 7.90 4.12 0.00 4.01 3.74 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 65 A 7.50 3.37 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 66 T 7.99 4.12 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 1.27 0.00 0.00 67 N 7.71 4.28 0.00 2.85 3.17 0.00 0.00 7.01 7.80 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 68 A 7.10 2.58 0.95 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 0.00 0.00 69 L 7.24 3.74 0.00 1.44 1.61 0.06 0.70 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 70 R 8.09 4.02 0.00 1.90 1.97 0.00 3.37 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.81 0.00 71 S 8.27 4.39 0.00 4.04 4.01 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 72 M 7.76 4.32 0.00 1.79 2.10 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.24 0.00 73 Q 7.07 4.11 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.92 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 74 G 8.92 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 0.00 0.00 0.00 75 F 8.18 4.08 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 76 P 0.00 4.59 0.00 1.77 1.85 0.00 2.62 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 77 F 8.78 4.66 0.00 3.02 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 78 Y 8.57 3.34 0.00 3.00 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 79 D 8.37 4.77 0.00 2.85 2.88 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 80 K 7.42 4.81 0.00 1.77 1.84 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.37 7.81 81 P 0.00 4.81 0.00 2.10 2.10 0.00 3.79 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 2.01 2.00 0.00 82 M 9.20 4.40 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.65 0.00 83 R 8.71 5.02 0.00 1.89 1.90 0.00 3.06 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 84 I 8.82 4.85 1.78 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 0.75 0.00 0.00 85 Q 8.97 4.65 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 86 Y 8.23 4.79 0.00 2.95 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 87 A 9.01 4.35 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 88 K 9.12 4.05 0.00 1.79 1.76 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.01 7.81 89 T 7.44 4.84 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 1.21 0.00 0.00 90 D 8.46 4.53 0.00 2.70 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 91 S 8.38 4.47 0.00 3.90 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 92 D 8.62 4.34 0.00 2.62 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 93 I 7.64 3.79 1.85 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 0.73 0.89 0.00 0.00 94 I 7.39 3.96 1.95 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 1.14 0.92 0.72 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.