NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5107 8.3049 118.1948 55.0837 32.5799 174.5278 1 I 4.4965 8.0663 120.0840 57.7142 40.7989 173.3387 2 Q 4.8922 9.3703 123.0890 54.5648 32.5433 174.6136 3 R 4.6689 9.1758 120.9201 54.7848 34.4156 174.5085 4 T 4.5655 8.9180 119.1846 60.5067 68.2126 172.2874 5 P 4.6878 0.0000 0.0000 62.7308 32.5584 175.2704 6 K 4.4201 8.8373 123.5927 55.6076 33.7838 175.2099 7 I 4.9680 8.3869 127.4901 59.6496 39.7702 174.8208 8 Q 4.8767 9.2902 125.6605 54.0437 32.4471 174.5916 9 V 5.0257 8.5778 122.7178 61.4052 34.3047 173.8345 10 Y 5.3514 8.2243 124.5575 56.5291 41.7858 173.1039 11 S 5.2765 8.7328 112.9581 56.8401 66.0678 173.7866 12 R 4.8926 9.0467 119.1381 55.2062 34.7774 173.5629 13 H 5.5696 8.7040 118.7473 52.5292 31.0759 173.1375 14 P 4.2702 0.0000 0.0000 62.5315 31.8175 177.5391 15 A 4.0469 8.5672 124.9392 54.8863 18.4717 178.4131 16 E 4.2214 8.0744 111.7741 57.6969 30.5123 176.9215 17 N 4.8202 8.2116 119.1766 52.5736 39.7257 174.4310 18 G 3.8689 8.4453 110.4212 46.2178 0.0000 172.0488 19 K 4.1703 8.2485 118.8215 56.6551 32.5131 176.4312 20 S 4.5060 8.0530 114.0587 56.3817 63.2080 171.6408 21 N 5.0070 8.3170 126.9069 52.0841 41.0527 173.3566 22 F 5.1765 9.2639 124.0124 55.5642 42.7732 173.7379 23 L 3.8210 7.9452 125.5412 53.5310 43.4469 174.9215 24 N 5.3169 8.5743 123.1860 51.4633 42.6185 173.0692 25 C 5.2524 9.1620 120.0595 58.1605 31.7233 172.2300 26 Y 5.3644 9.3668 126.3170 56.0841 40.5906 174.4302 27 V 4.8197 9.1547 128.3615 61.1881 33.7905 174.4126 28 S 4.5178 8.6905 122.6518 57.0417 66.5599 174.7890 29 G 3.8435 6.9748 109.1418 46.0025 0.0000 173.3435 30 F 5.1444 7.1007 114.1005 55.8232 40.5553 174.3521 31 H 5.3554 9.0215 117.0664 53.7506 33.3116 171.9816 32 P 4.9246 0.0000 0.0000 62.3591 32.3767 176.1083 33 S 4.3294 8.7916 112.8677 59.9348 63.5438 174.4258 34 D 4.3262 7.9662 121.3171 55.1519 40.9465 175.2266 35 I 4.2780 7.4524 121.0796 60.2738 41.1039 172.5815 36 E 4.5721 8.6752 126.7773 54.2793 32.6579 174.5627 37 V 4.6950 8.1093 125.5978 61.2654 34.2349 174.0289 38 D 5.1925 8.9985 127.0107 52.5555 44.7957 175.1423 39 L 4.8380 8.7405 120.9394 53.8571 43.8897 175.5382 40 L 5.2945 9.1811 122.4503 52.7869 45.6232 175.3851 41 K 4.1403 8.9084 123.5995 54.7293 34.8016 175.9035 42 N 4.2072 9.9329 127.2783 54.3007 36.6975 175.6656 43 G 3.9746 8.4360 105.1859 45.2529 0.0000 173.6025 44 E 4.5865 7.7855 119.8791 54.0233 31.2761 175.5359 45 R 4.2777 8.4365 123.4016 56.5176 30.6284 175.9260 46 I 4.1404 8.6195 127.3030 60.5731 37.1848 175.8714 47 E 3.9753 8.8438 126.3292 58.2921 29.6356 176.8798 48 K 4.1458 7.8201 119.9792 54.7440 31.7567 175.7207 49 V 4.0170 7.8591 126.3963 60.8175 32.5614 175.1499 50 E 3.9730 8.6206 128.1348 58.1723 29.8456 177.2648 51 H 4.7154 7.6322 116.1784 53.7594 32.1595 172.8271 52 S 5.7867 8.1893 116.7406 57.2502 65.3491 172.7284 53 D 4.8897 8.8785 118.2976 52.6952 42.5303 174.1713 54 L 5.4010 8.2839 123.2252 52.5645 44.8191 175.7392 55 S 4.3846 8.0316 116.8391 57.3251 66.8766 172.9737 56 F 5.4334 8.4664 118.4525 55.7656 42.1506 175.3293 57 S 4.6390 8.9074 117.0843 56.3675 65.0558 173.3376 58 P 4.1979 0.0000 0.0000 65.5379 31.0336 177.2700 59 D 4.6021 8.1697 115.0885 53.2276 39.4832 177.1367 60 G 3.9586 8.3827 108.0242 45.6400 0.0000 174.3248 61 S 4.1207 8.3711 116.3581 58.3876 64.2139 173.0718 62 F 4.4322 8.0026 125.1127 56.6926 41.6219 174.1572 63 Y 4.8349 7.8612 121.6918 56.0905 41.7681 174.0108 64 L 5.4482 9.4419 126.7299 53.2477 45.3827 174.5368 65 L 5.4638 9.4170 129.1323 53.6176 44.5825 174.2277 66 Y 5.4811 9.2335 127.5883 56.2340 41.7699 173.5430 67 Y 5.2162 8.5380 123.8092 56.6448 41.9155 173.4631 68 T 4.7661 8.3849 113.6218 61.0340 71.4637 172.4521 69 E 4.0847 8.4577 125.4554 56.5822 30.1697 175.9982 70 F 4.8487 8.8551 117.7094 56.3958 41.5168 174.7727 71 T 4.1840 7.9913 108.8609 58.3730 68.3090 171.1350 72 P 4.4388 0.0000 0.0000 63.5452 32.5270 176.6697 73 T 4.7821 7.9195 107.3191 59.4936 71.5531 174.9053 74 E 4.1022 8.8247 121.8353 58.7839 29.5937 178.4839 75 K 4.2125 7.5457 115.6006 57.9737 33.3553 176.6265 76 D 4.6173 8.0338 120.3487 53.0735 41.9844 175.0014 77 E 4.7715 8.5459 124.7250 54.9321 31.6618 174.2081 78 Y 5.2161 8.9931 123.5993 56.6191 41.2987 174.0893 79 A 5.1049 8.5947 124.2561 52.2157 26.0091 176.2006 *81 R 4.5069 8.6020 115.6539 57.4157 31.7440 174.9256 82 V 4.7872 8.8463 126.2204 61.1003 34.2590 173.7188 83 N 5.2940 8.8130 124.7704 51.9740 41.6005 173.0426 84 H 4.6549 8.4367 120.4507 54.9007 32.9126 174.5316 85 V 3.5145 8.1948 122.8438 64.9009 31.1014 177.3411 86 T 4.1063 7.9167 108.7173 62.3013 69.2664 173.5209 87 L 4.7269 7.7741 123.6779 52.9126 43.0099 176.7408 88 S 4.3200 8.7015 119.1972 59.9235 63.5818 173.9347 89 Q 4.6199 7.5463 117.2237 53.0939 31.5486 172.7763 90 P 4.5852 0.0000 0.0000 62.4276 32.2154 175.6008 91 K 4.4227 9.0020 125.7090 55.2317 33.8007 175.0016 92 I 4.7501 8.3988 128.0465 59.4832 39.5036 174.9354 93 V 4.4035 8.3310 126.8520 60.9292 33.7961 174.5879 94 K 4.6226 8.7344 127.6731 55.6501 33.1592 176.5893 95 W 4.5399 9.1825 135.0000 57.4671 31.5889 174.8664 96 D 4.5318 8.6376 127.4783 52.8550 41.4101 177.0136 97 R 2.0000 7.9476 122.6793 57.3633 29.5124 177.0351 98 D 4.5145 8.1672 118.1476 55.6498 41.0311 176.2893 99 M 4.4028 8.2204 125.2322 55.3937 32.3312 175.4957 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 0 M 8.30 4.51 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 1 I 8.07 4.50 1.78 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 1.43 0.76 0.77 0.00 0.00 2 Q 9.37 4.89 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 3 R 9.18 4.67 0.00 1.81 1.87 0.00 3.18 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 4 T 8.92 4.57 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 1.21 0.00 0.00 5 P 0.00 4.69 0.00 1.92 1.66 0.00 3.63 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.50 0.00 6 K 8.84 4.42 0.00 1.91 1.70 0.00 1.48 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 7 I 8.39 4.97 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 0.94 0.00 0.00 8 Q 9.29 4.88 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 9 V 8.58 5.03 2.30 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 0.91 0.00 0.00 1.09 0.00 0.00 10 Y 8.22 5.35 0.00 3.16 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 11 S 8.73 5.28 0.00 4.15 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 12 R 9.05 4.89 0.00 1.72 1.82 0.00 3.29 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 13 H 8.70 5.57 0.00 3.08 3.29 0.00 5.76 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.27 0.00 2.22 1.94 0.00 4.07 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.11 0.00 15 A 8.57 4.05 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 16 E 8.07 4.22 0.00 2.10 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 2.29 2.25 0.00 17 N 8.21 4.82 0.00 2.75 2.77 0.00 0.00 6.95 7.56 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 18 G 8.45 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 0.00 0.00 0.00 19 K 8.25 4.17 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 20 S 8.05 4.51 0.00 3.87 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 21 N 8.32 5.01 0.00 2.71 2.66 0.00 0.00 6.91 7.71 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 22 F 9.26 5.18 0.00 3.01 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 23 L 7.95 3.82 0.00 0.27 0.37 -0.29 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.57 5.32 0.00 1.44 1.92 0.00 0.00 6.43 7.26 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 25 C 9.16 5.25 0.00 2.97 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 26 Y 9.37 5.36 0.00 3.24 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 27 V 9.15 4.82 2.08 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 0.67 0.00 0.00 0.90 0.00 0.00 28 S 8.69 4.52 0.00 3.83 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 6.97 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.10 5.14 0.00 2.94 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 31 H 9.02 5.36 0.00 3.21 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.92 0.00 2.13 2.15 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 33 S 8.79 4.33 0.00 3.74 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 0.00 34 D 7.97 4.33 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 4.28 1.51 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.34 0.61 0.00 0.00 36 E 8.68 4.57 0.00 1.95 1.63 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 2.09 2.13 0.00 37 V 8.11 4.69 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 0.65 0.00 0.00 0.65 0.00 0.00 38 D 9.00 5.19 0.00 2.54 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 39 L 8.74 4.84 0.00 1.60 1.58 0.61 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.18 5.29 0.00 1.55 1.53 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.91 4.14 0.00 1.74 1.57 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.06 0.60 7.81 42 N 9.93 4.21 0.00 2.74 2.79 0.00 0.00 7.21 7.64 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 43 G 8.44 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 0.00 0.00 0.00 44 E 7.79 4.59 0.00 2.09 1.85 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 2.23 2.35 0.00 45 R 8.44 4.28 0.00 1.78 1.85 0.00 3.24 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 1.64 1.77 0.00 46 I 8.62 4.14 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.92 0.00 0.00 47 E 8.84 3.98 0.00 1.96 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 2.32 2.30 0.00 48 K 7.82 4.15 0.00 1.67 1.70 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.43 7.81 49 V 7.86 4.02 1.64 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 -0.32 0.00 0.00 0.68 0.00 0.00 50 E 8.62 3.97 0.00 1.53 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 2.18 2.29 0.00 51 H 7.63 4.72 0.00 1.40 2.43 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.19 5.79 0.00 4.11 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 53 D 8.88 4.89 0.00 2.93 2.68 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 54 L 8.28 5.40 0.00 1.56 1.68 1.07 1.15 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 55 S 8.03 4.38 0.00 3.76 3.82 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 56 F 8.47 5.43 0.00 2.84 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 57 S 8.91 4.64 0.00 3.97 4.05 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 0.00 0.00 0.00 58 P 0.00 4.20 0.00 2.08 2.17 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 59 D 8.17 4.60 0.00 2.83 2.81 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 60 G 8.38 3.96 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 0.00 0.00 0.00 61 S 8.37 4.12 0.00 3.96 3.57 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 62 F 8.00 4.43 0.00 2.36 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.86 4.83 0.00 2.81 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 64 L 9.44 5.45 0.00 2.21 1.98 0.92 0.40 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 65 L 9.42 5.46 0.00 1.98 1.71 0.97 0.08 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 66 Y 9.23 5.48 0.00 3.04 2.81 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 67 Y 8.54 5.22 0.00 3.13 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 68 T 8.38 4.77 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 0.99 0.00 0.00 69 E 8.46 4.08 0.00 1.62 1.55 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 1.83 1.47 0.00 70 F 8.86 4.85 0.00 2.77 2.56 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 71 T 7.99 4.18 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 1.12 0.00 0.00 72 P 0.00 4.44 0.00 2.36 1.85 0.00 3.02 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.28 0.00 73 T 7.92 4.78 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 1.24 0.00 0.00 74 E 8.82 4.10 0.00 1.98 2.08 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 2.32 2.38 0.00 75 K 7.55 4.21 0.00 1.93 1.95 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.41 7.81 76 D 8.03 4.62 0.00 3.00 2.39 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 77 E 8.55 4.77 0.00 2.06 1.80 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 2.37 2.40 0.00 78 Y 8.99 5.22 0.00 3.36 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 79 A 8.59 5.10 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 *81 R 8.60 4.51 0.00 1.94 1.87 0.00 3.11 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 82 V 8.85 4.79 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 0.80 0.00 0.00 0.82 0.00 0.00 83 N 8.81 5.29 0.00 2.56 2.60 0.00 0.00 6.14 8.63 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 84 H 8.44 4.65 0.00 3.02 2.98 0.00 5.88 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.19 3.51 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 0.68 0.00 0.00 0.89 0.00 0.00 86 T 7.92 4.11 4.28 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 1.29 0.00 0.00 87 L 7.77 4.73 0.00 1.70 1.82 0.90 1.12 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 88 S 8.70 4.32 0.00 3.97 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 89 Q 7.55 4.62 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.93 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 90 P 0.00 4.59 0.00 1.94 2.01 0.00 3.70 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 2.05 0.00 91 K 9.00 4.42 0.00 1.79 1.63 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 92 I 8.40 4.75 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 0.94 0.00 0.00 93 V 8.33 4.40 2.14 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 1.10 0.00 0.00 0.96 0.00 0.00 94 K 8.73 4.62 0.00 1.75 1.81 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.49 7.81 95 W 9.18 4.54 0.00 3.29 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 96 D 8.64 4.53 0.00 2.71 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.95 2.00 0.00 1.33 1.23 0.00 2.97 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.44 0.00 98 D 8.17 4.51 0.00 2.76 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 99 M 8.22 4.40 0.00 2.17 2.18 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 2.57 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.