NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.6968 8.3349 119.0145 58.6121 64.1825 173.3637 16 Q 4.0409 8.6312 123.5744 54.0859 30.2054 173.1205 17 N 5.4058 8.8342 120.6541 51.9705 42.0954 173.0932 18 F 5.0759 9.1508 123.7943 55.2094 43.4795 174.4799 19 L 4.6712 8.7733 121.1320 55.0770 42.3014 176.3589 20 F 4.8306 9.4265 125.2955 56.5819 42.7339 173.7944 21 G 4.1804 7.0288 110.3363 45.4028 0.0000 171.3093 22 C 4.5919 8.4297 114.9410 56.6773 33.6462 172.0676 23 E 4.7149 8.5414 119.8596 54.2166 31.7590 174.7655 24 L 5.0922 8.8722 126.3846 52.9322 45.3700 175.6664 25 K 4.9563 9.1233 121.1614 55.5138 36.1381 176.7320 26 A 3.9874 8.5822 123.6530 55.0527 18.1952 178.2677 27 D 4.7640 7.8839 112.1886 53.1783 40.1847 177.4960 28 K 4.5783 8.0445 120.6285 56.3560 34.0853 175.2749 29 K 4.6156 8.1065 122.3140 57.1482 33.7609 176.1326 30 E 5.3017 8.1466 118.1605 54.4770 33.2001 174.6461 31 Y 4.5892 9.1743 124.0566 55.8650 41.9324 173.9367 32 S 4.7159 8.0970 121.7661 56.8444 63.8066 172.8070 33 F 4.9278 9.1282 131.5520 56.8241 40.2188 174.5902 34 K 4.6859 8.0029 124.3823 54.9949 36.0127 175.8048 35 V 4.0831 7.8011 120.2125 60.5111 33.6793 175.2491 36 E 3.9751 8.5973 126.4813 56.7660 29.7557 177.7744 37 D 4.4507 8.4616 121.8250 55.5853 41.7731 175.6791 38 D 4.6384 7.5086 115.4905 52.9364 41.1082 176.0331 *40 N 5.2364 8.6624 116.1228 53.7667 40.6354 174.0084 41 E 4.7526 8.2038 119.1517 54.7524 31.6256 174.4749 42 H 5.6355 8.9519 123.1928 54.4118 31.9502 173.5663 43 Q 4.7014 8.8503 119.4095 54.4193 33.7747 173.4863 44 L 4.3884 8.8212 126.1882 53.6711 43.7460 175.2392 45 S 5.0203 8.8012 123.2141 56.7868 63.4534 172.7645 46 L 4.3847 8.8974 129.1575 54.9850 42.3140 177.3154 47 R 4.4832 9.5044 122.6780 57.5726 32.2746 176.1965 48 T 5.2362 7.7772 106.2323 59.9322 73.0213 172.5049 49 V 5.0145 8.8537 122.3841 61.2846 34.6801 174.4810 50 S 5.1740 9.2787 121.2903 56.9384 66.9041 172.6566 51 L 4.8518 8.5577 121.9307 53.6897 42.7515 177.2129 52 G 4.1164 9.2490 111.1771 45.5850 0.0000 174.6083 53 A 4.1874 8.7539 123.3614 54.7300 18.4788 179.0356 54 S 4.3768 8.0041 107.9757 59.0483 63.8852 174.5391 55 A 4.6116 7.6644 124.6273 51.5135 18.6170 177.3677 56 K 4.1942 8.2282 123.2668 56.1505 32.9626 177.7090 57 D 4.7110 8.3495 124.7051 53.4978 38.7405 174.3322 58 E 4.6607 7.6159 120.1393 54.0138 33.0080 175.0325 59 L 4.4320 8.2647 121.3952 55.3368 42.9740 175.3857 60 H 5.1808 9.6236 123.2458 53.9778 31.9263 173.1665 61 V 4.8662 8.6805 122.2995 61.1067 34.4329 174.0629 62 V 4.9285 8.6646 128.1771 61.1323 33.5602 174.2234 63 E 5.2845 9.2929 125.3367 54.4497 33.1331 174.4053 64 A 5.1530 8.7433 122.4098 50.1146 22.1818 174.8257 65 E 4.9497 8.9587 123.2512 54.6997 32.5500 175.3208 66 G 4.2710 8.5470 112.7463 45.7168 0.0000 171.7399 67 I 4.5704 8.4052 121.4223 61.1152 37.8613 176.8591 68 N 4.8203 9.3747 125.6748 51.8353 38.7733 175.1110 69 Y 4.3703 8.6977 114.8897 58.7804 38.2910 175.8623 70 E 3.9560 7.9679 119.7823 55.8409 29.5909 176.6543 71 G 3.8849 8.0452 106.5740 45.8361 0.0000 173.5411 72 K 4.6525 7.7404 118.3010 54.3407 34.9479 175.7276 73 T 4.6517 8.4994 121.1508 63.6083 69.1369 173.8136 74 I 4.7189 8.9768 119.4488 58.9420 41.6446 174.1894 75 K 5.2211 8.5988 121.5816 54.5507 34.5543 175.8688 76 I 4.7482 8.7659 117.8472 58.9092 41.0322 174.5073 77 A 4.5331 8.7045 128.2369 51.9628 19.4578 176.8248 78 L 4.6133 8.8442 123.4527 56.6598 42.9921 177.0430 79 A 4.6923 7.6054 117.5020 50.9701 22.7338 175.1625 80 S 5.2535 8.6736 115.4511 56.8015 65.7705 173.7020 81 L 5.0630 9.3103 124.3682 52.8619 46.0278 175.5797 82 K 4.9756 8.7122 121.8630 54.3700 35.1715 175.5971 83 P 4.3273 0.0000 0.0000 65.1441 31.4758 177.1815 84 S 4.6762 8.1220 109.9181 57.9741 63.5309 173.8829 85 V 4.2089 7.5497 118.6924 64.4569 33.3400 176.2989 86 Q 4.6886 8.1533 120.8493 54.8560 30.7547 171.9989 87 P 4.5375 0.0000 0.0000 64.4997 33.0579 176.5977 88 T 5.1510 7.7926 115.9511 61.6711 72.4284 173.3610 89 V 4.3913 8.7030 125.2971 61.0477 34.4573 174.1406 90 S 4.8624 8.7378 123.1038 57.9796 61.3568 173.7758 91 L 4.1574 9.2497 127.2854 54.7539 42.6377 178.7230 92 G 3.6512 8.3054 105.1731 45.8803 0.0000 174.2089 93 G 3.9304 7.5773 105.5187 46.4751 0.0000 175.9883 94 F 4.5516 8.4308 121.0988 57.6271 39.9227 174.8516 95 E 4.7890 8.7784 125.5861 56.2344 30.4039 176.5686 96 I 4.7188 8.8375 124.0922 59.9204 41.8354 174.4192 97 T 4.6447 8.6052 123.6273 62.0313 69.0731 173.2529 98 P 4.6347 0.0000 0.0000 61.9671 32.1032 174.1369 99 P 4.8846 0.0000 0.0000 63.0000 32.4719 175.8543 100 V 4.7544 8.8412 119.9072 60.5005 35.3060 173.4927 101 I 4.8798 8.8289 124.4471 59.8498 39.5296 174.4160 102 L 5.1913 8.9455 126.6595 53.1471 44.1619 175.5655 103 R 5.0751 8.9416 122.9982 54.5145 34.0368 173.9638 104 L 4.5921 9.0320 128.9559 54.4051 41.2097 176.1107 105 K 4.3195 9.1081 130.1081 59.2104 33.0855 176.3655 106 S 4.4528 8.1123 112.6431 58.3315 66.4424 175.0631 107 G 4.0774 8.7578 106.9664 45.0388 0.0000 173.8645 108 S 4.1350 8.7038 113.2367 58.9173 63.8511 176.1333 109 G 4.0908 8.2544 109.7208 43.9708 0.0000 170.2230 110 P 4.6690 0.0000 0.0000 62.8464 32.6954 175.5567 111 V 4.8107 8.3458 121.5103 61.3474 34.7587 173.7659 112 Y 5.0993 9.0064 123.7631 56.1167 41.7919 174.6305 113 V 5.0029 8.8147 122.5060 61.1252 34.8163 174.4813 114 S 5.1691 8.9580 121.5585 56.7193 66.4415 174.0522 115 G 3.9671 8.1778 107.5125 46.3961 0.0000 171.7174 116 Q 5.2535 8.0588 119.3635 54.4234 32.5399 174.5081 117 H 5.2086 9.4975 123.0823 54.8224 31.8868 173.1411 118 L 5.2787 8.9499 126.6933 53.3837 44.1131 175.9816 119 V 4.8650 8.8268 122.1381 61.0836 35.2110 175.1050 120 A 4.4078 9.0536 128.7990 52.1364 19.3317 175.5176 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 15 S 8.33 4.70 0.00 3.41 3.73 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 16 Q 8.63 4.04 0.00 2.10 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 17 N 8.83 5.41 0.00 2.57 2.48 0.00 0.00 6.81 7.02 0.00 0.00 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 F 9.15 5.08 0.00 3.07 2.92 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 19 L 8.77 4.67 0.00 1.61 1.65 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.43 4.83 0.00 3.21 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 21 G 7.03 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 0.00 0.00 0.00 0.00 22 C 8.43 4.59 0.00 2.58 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 0.00 0.00 0.00 23 E 8.54 4.71 0.00 1.93 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 1.86 1.47 0.00 24 L 8.87 5.09 0.00 1.48 1.48 0.93 1.05 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 25 K 9.12 4.96 0.00 1.69 1.80 0.00 1.31 0.00 0.00 1.62 0.00 0.00 3.24 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.54 7.81 26 A 8.58 3.99 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 27 D 7.88 4.76 0.00 2.79 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 28 K 8.04 4.58 0.00 1.70 1.67 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.55 7.81 29 K 8.11 4.62 0.00 1.76 1.84 0.00 1.66 0.00 0.00 1.97 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.58 1.59 7.81 30 E 8.15 5.30 0.00 1.81 1.83 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 2.21 2.27 0.00 31 Y 9.17 4.59 0.00 3.12 2.92 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 32 S 8.10 4.72 0.00 3.82 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 33 F 9.13 4.93 0.00 3.32 3.06 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 0.00 0.00 0.00 0.00 34 K 8.00 4.69 0.00 1.57 1.57 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.12 1.27 7.81 35 V 7.80 4.08 1.83 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 0.44 0.00 0.00 0.54 0.00 0.00 36 E 8.60 3.98 0.00 1.99 1.82 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 2.35 2.27 0.00 37 D 8.46 4.45 0.00 2.65 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 38 D 7.51 4.64 0.00 2.86 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 *40 N 8.66 5.24 0.00 2.76 2.95 0.00 0.00 7.09 7.66 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 41 E 8.20 4.75 0.00 2.12 1.82 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 2.25 2.35 0.00 42 H 8.95 5.64 0.00 3.10 3.31 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.85 4.70 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 44 L 8.82 4.39 0.00 0.64 1.01 -0.83 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.80 5.02 0.00 3.93 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 46 L 8.90 4.38 0.00 1.59 1.55 0.64 0.54 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 47 R 9.50 4.48 0.00 1.83 1.96 0.00 3.25 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 48 T 7.78 5.24 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 1.23 0.00 0.00 49 V 8.85 5.01 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 1.13 0.00 0.00 0.96 0.00 0.00 50 S 9.28 5.17 0.00 3.89 3.91 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 51 L 8.56 4.85 0.00 1.56 1.60 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.25 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 53 A 8.75 4.19 1.30 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 0.00 0.00 0.00 54 S 8.00 4.38 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.66 4.61 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 56 K 8.23 4.19 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.39 7.81 57 D 8.35 4.71 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.62 4.66 0.00 2.01 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 2.27 2.10 0.00 59 L 8.26 4.43 0.00 1.66 1.60 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 60 H 9.62 5.18 0.00 3.00 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.68 4.87 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 1.10 0.00 0.00 0.94 0.00 0.00 62 V 8.66 4.93 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 1.06 0.00 0.00 0.94 0.00 0.00 63 E 9.29 5.28 0.00 2.25 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 2.17 2.22 0.00 64 A 8.74 5.15 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.96 4.95 0.00 1.98 1.78 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 2.18 2.32 0.00 66 G 8.55 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 0.00 0.00 0.00 67 I 8.41 4.57 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.93 0.00 0.00 68 N 9.37 4.82 0.00 3.02 3.04 0.00 0.00 6.36 7.45 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 69 Y 8.70 4.37 0.00 3.17 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 70 E 7.97 3.96 0.00 1.84 1.75 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 1.47 1.70 0.00 71 G 8.05 3.88 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 0.00 0.00 0.00 72 K 7.74 4.65 0.00 1.79 1.68 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.56 7.81 73 T 8.50 4.65 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 74 I 8.98 4.72 1.90 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 1.36 0.94 0.93 0.00 0.00 75 K 8.60 5.22 0.00 1.63 1.90 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.40 7.81 76 I 8.77 4.75 1.95 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 1.35 0.79 0.97 0.00 0.00 77 A 8.70 4.53 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 L 8.84 4.61 0.00 1.64 1.76 0.79 0.50 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 79 A 7.61 4.69 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 80 S 8.67 5.25 0.00 3.74 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 81 L 9.31 5.06 0.00 1.51 1.68 1.02 0.66 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 82 K 8.71 4.98 0.00 1.82 1.60 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.58 7.81 83 P 0.00 4.33 0.00 2.10 2.12 0.00 3.93 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 2.15 2.10 0.00 84 S 8.12 4.68 0.00 3.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.55 4.21 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 0.84 0.00 0.00 0.94 0.00 0.00 86 Q 8.15 4.69 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 87 P 0.00 4.54 0.00 2.16 2.30 0.00 3.70 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 2.07 2.00 0.00 88 T 7.79 5.15 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 89 V 8.70 4.39 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 1.07 0.00 0.00 0.95 0.00 0.00 90 S 8.74 4.86 0.00 3.94 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 91 L 9.25 4.16 0.00 1.88 1.86 0.98 1.08 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 92 G 8.31 3.65 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 0.00 0.00 0.00 93 G 7.58 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 94 F 8.43 4.55 0.00 3.09 2.74 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 95 E 8.78 4.79 0.00 1.96 1.91 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 2.34 2.39 0.00 96 I 8.84 4.72 1.69 0.00 0.00 0.34 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 0.66 0.85 0.00 0.00 97 T 8.61 4.64 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 1.25 0.00 0.00 98 P 0.00 4.63 0.00 2.15 2.23 0.00 3.96 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 99 P 0.00 4.88 0.00 2.09 2.05 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 100 V 8.84 4.75 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 0.66 0.00 0.00 0.94 0.00 0.00 101 I 8.83 4.88 1.88 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 1.22 0.62 0.93 0.00 0.00 102 L 8.95 5.19 0.00 1.72 1.60 0.99 0.83 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 0.00 103 R 8.94 5.08 0.00 1.83 1.70 0.00 3.32 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 104 L 9.03 4.59 0.00 1.62 1.61 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.11 4.32 0.00 1.80 1.95 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.39 7.81 106 S 8.11 4.45 0.00 3.88 3.91 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 0.00 107 G 8.76 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 0.00 108 S 8.70 4.14 0.00 4.05 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.25 4.09 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 0.00 0.00 0.00 110 P 0.00 4.67 0.00 1.75 2.03 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 111 V 8.35 4.81 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 0.86 0.00 0.00 112 Y 9.01 5.10 0.00 2.95 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 0.00 113 V 8.81 5.00 2.16 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 1.07 0.00 0.00 0.95 0.00 0.00 114 S 8.96 5.17 0.00 3.90 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 0.00 115 G 8.18 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 0.00 116 Q 8.06 5.25 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 117 H 9.50 5.21 0.00 3.38 3.41 0.00 5.57 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.95 5.28 0.00 1.70 1.61 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.83 4.87 2.26 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 0.92 0.00 0.00 0.99 0.00 0.00 120 A 9.05 4.41 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.