NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.5930 8.4293 120.1860 56.0760 31.9936 175.2527 5 S 4.6036 7.9894 114.3120 55.8736 66.5861 172.8740 6 F 4.7053 9.2737 125.8377 58.4703 40.7364 174.5994 7 Y 4.4612 8.0728 127.0847 55.5747 41.1343 174.7933 8 G 3.9690 7.7560 113.9225 45.1933 0.0000 171.9373 9 V 4.5923 8.3112 119.4322 59.2930 35.8788 175.0244 10 T 5.1705 8.4723 118.7682 61.8463 71.1757 173.5681 11 L 5.1419 8.8857 125.5387 53.3265 45.1255 175.7164 12 T 5.0555 8.7595 111.9528 60.1180 72.4408 174.3783 13 A 4.0288 8.4283 122.8953 55.1910 18.2016 179.1342 14 E 4.0257 8.3304 115.3349 58.5247 30.3136 176.6641 15 S 4.6544 8.1034 113.6147 56.3864 62.2269 172.5575 16 D 5.0910 7.9300 121.1547 52.0179 40.9314 176.3517 17 S 5.2674 7.8824 112.0412 57.7217 65.7242 173.4823 18 V 4.6950 8.8613 124.7333 60.5621 34.8593 173.8192 19 T 5.0009 8.7672 119.9821 61.5653 71.7401 173.5199 20 W 4.6747 9.5963 135.0000 55.8652 31.9548 173.7057 21 D 4.5254 8.2287 126.0424 52.1356 41.8133 174.8647 *29 G 3.9835 8.6917 114.3985 44.9415 0.0000 171.5707 30 Q 4.5005 7.9382 119.5172 56.5779 29.6870 175.7103 31 K 5.2766 9.1841 123.4741 55.0352 36.6370 174.1611 32 L 4.4403 8.7307 127.2662 52.9837 44.7677 174.9944 33 V 4.4943 8.5276 127.0355 61.2642 33.6772 174.3078 34 I 4.4664 8.7896 129.8394 60.1691 37.9645 176.3646 35 K 4.2177 9.0216 128.0852 58.3237 33.7881 177.0346 36 Q 4.8461 7.8129 118.9749 54.6978 33.1336 173.5369 37 I 4.9737 8.7500 125.4357 59.5150 40.7403 174.0226 38 L 5.2305 9.0064 129.7033 53.0066 45.0573 174.8044 39 L 4.4976 8.7942 128.8051 54.0024 42.9951 176.7531 40 G 3.9232 8.9688 113.8776 45.9979 0.0000 174.4341 41 A 4.1654 8.9094 124.9128 54.8858 18.5114 178.6513 42 E 4.2015 8.1176 110.5833 56.6274 30.2737 176.7915 43 A 4.2007 7.5654 123.3650 51.3591 19.1029 177.4819 44 K 3.8482 8.6444 123.7195 56.2105 32.7085 175.7229 45 E 4.0788 8.6255 126.9739 57.9422 29.8795 176.3479 46 N 4.1507 8.5796 121.7442 53.4046 37.0444 173.2676 47 E 4.4063 7.8819 121.0706 54.6648 31.0799 175.3112 48 F 4.6408 8.7671 126.4273 57.6722 40.0565 174.3936 49 N 5.2432 9.6243 121.3718 51.5002 41.7297 173.4935 50 V 4.8427 8.7764 124.4445 61.0052 34.6026 174.1499 51 V 4.8033 8.7189 128.2038 61.2846 33.5234 173.7013 52 E 5.1838 9.5231 129.7477 54.4757 32.0392 174.6546 53 V 4.7254 8.7178 126.3815 60.0174 34.4707 174.2065 54 N 5.2816 8.7903 121.7853 52.1504 42.2170 172.8134 55 T 4.6517 9.0050 121.8482 59.5912 69.5168 172.3068 56 P 4.2035 0.0000 0.0000 65.8242 31.4488 178.2944 57 K 3.7446 8.2976 118.7533 59.0919 31.8011 176.6698 58 D 4.6622 8.1133 113.9457 53.3222 41.3789 176.2924 59 S 3.7062 7.8865 114.4999 60.0640 60.9798 172.5668 60 V 4.4681 7.7131 118.4952 61.1171 34.8100 174.7112 61 Q 4.9029 8.5874 127.7502 55.0016 31.3462 173.4714 62 I 4.5630 8.5430 125.7010 59.0113 42.0716 171.9494 63 P 4.8223 0.0000 0.0000 63.0187 31.3980 175.9854 64 I 4.5310 9.1148 122.9261 61.0503 39.7474 175.1658 65 A 4.7228 7.7083 122.4435 51.1155 22.7449 175.2313 66 V 4.7159 8.4813 121.0604 61.3072 34.0372 174.4749 67 L 5.0141 8.9459 127.8157 53.1512 46.1301 175.9940 68 K 4.6498 9.0883 118.4725 56.3024 36.2517 174.6237 69 A 4.0897 8.5329 131.1478 54.1504 18.5938 177.8734 70 G 4.0352 9.5321 111.6977 45.1939 0.0000 172.8243 71 E 4.3611 8.3771 117.8991 57.1651 31.4856 175.6802 72 T 4.5040 7.5308 118.4020 61.7295 70.9401 174.3665 73 R 4.1725 8.6004 127.7145 58.5751 31.4066 175.4803 74 A 5.1014 7.6138 117.4136 51.1938 22.3269 175.6946 75 V 4.4930 8.6695 111.4828 59.9138 36.4498 174.8038 76 N 5.7307 8.4415 119.1150 49.4138 38.2379 172.2700 77 P 4.2501 0.0000 0.0000 64.3170 32.1059 176.7635 78 D 4.3828 7.5132 114.8766 55.4301 40.2697 173.0392 79 V 4.5193 7.3960 109.3772 59.5625 34.9340 175.5144 80 E 4.9635 8.1170 118.8430 54.6190 33.0356 174.8965 81 F 4.9662 9.0415 119.8243 56.1377 42.1743 173.6921 82 Y 4.5576 9.4315 122.1194 58.8127 38.8780 177.0470 83 E 3.8249 9.3090 119.4043 56.4019 26.6528 174.6339 84 S 4.5746 7.4171 115.3216 56.8877 65.6069 176.3775 85 K 4.3259 8.5452 123.7353 56.4638 32.9323 176.1670 86 V 4.4456 8.8723 126.1141 61.3163 35.0883 174.0948 87 T 4.8895 8.2040 123.2186 61.7023 72.1227 172.6675 88 F 5.2960 9.0891 125.0206 55.6896 41.8076 174.8425 89 K 4.9867 9.2329 122.6759 54.6628 35.7665 175.5670 90 L 4.9273 8.5001 127.8977 54.1796 40.4652 176.0669 91 I 4.1282 8.4590 117.5577 62.1220 38.6950 176.4942 92 K 4.5306 7.9462 122.2734 56.2746 36.5126 176.7747 93 G 4.2864 9.2812 109.3788 45.8083 0.0000 173.1190 94 S 4.5429 9.2210 113.0476 57.1008 64.3582 176.3183 95 G 3.9243 8.5099 110.2889 44.7336 0.0000 171.2597 96 P 4.5562 0.0000 0.0000 62.7729 33.0928 175.8725 97 V 4.4294 8.3858 121.0052 61.2458 34.8123 173.6541 98 Y 5.2369 8.7037 124.9550 56.2879 40.9912 174.5716 99 I 4.7024 8.6666 124.3404 59.8009 39.9311 174.3321 100 H 5.2476 8.9950 124.3432 53.7985 32.0861 173.7743 101 G 4.1907 8.3143 109.8297 46.5103 0.0000 171.6475 102 H 5.1900 7.9753 116.1444 54.8597 32.3060 172.9784 103 N 5.3326 9.0410 117.5572 51.7236 41.6573 175.1973 104 I 4.3558 8.6050 122.2691 61.5574 38.1551 175.3957 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 4 E 8.43 4.59 0.00 1.93 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 0.00 2.24 2.36 0.00 5 S 7.99 4.60 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.27 4.71 0.00 3.05 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 7 Y 8.07 4.46 0.00 2.84 2.49 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 8 G 7.76 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 9 V 8.31 4.59 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 0.22 0.00 0.00 0.69 0.00 0.00 10 T 8.47 5.17 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 1.26 0.00 0.00 11 L 8.89 5.14 0.00 1.45 1.49 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.76 5.06 4.22 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 1.18 0.00 0.00 13 A 8.43 4.03 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 14 E 8.33 4.03 0.00 1.94 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 2.30 2.30 0.00 15 S 8.10 4.65 0.00 3.85 3.68 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 16 D 7.93 5.09 0.00 2.94 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 17 S 7.88 5.27 0.00 3.87 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 18 V 8.86 4.70 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 1.06 0.00 0.00 1.15 0.00 0.00 19 T 8.77 5.00 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 1.21 0.00 0.00 20 W 9.60 4.67 0.00 3.30 3.05 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 21 D 8.23 4.53 0.00 2.59 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 0.00 0.00 0.00 *29 G 8.69 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 30 Q 7.94 4.50 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.25 0.00 31 K 9.18 5.28 0.00 1.79 1.51 0.00 1.34 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.32 1.03 7.81 32 L 8.73 4.44 0.00 0.27 0.57 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.53 4.49 1.56 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 0.82 0.00 0.00 0.78 0.00 0.00 34 I 8.79 4.47 1.98 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.81 0.88 0.00 0.00 35 K 9.02 4.22 0.00 1.82 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.59 7.81 36 Q 7.81 4.85 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 37 I 8.75 4.97 1.87 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 1.01 0.72 0.86 0.00 0.00 38 L 9.01 5.23 0.00 1.84 1.68 1.05 0.42 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 39 L 8.79 4.50 0.00 1.64 1.65 0.86 1.16 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 40 G 8.97 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 41 A 8.91 4.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.12 4.20 0.00 2.09 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 2.30 2.30 0.00 43 A 7.57 4.20 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 44 K 8.64 3.85 0.00 1.78 1.80 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.42 7.81 45 E 8.63 4.08 0.00 1.92 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 2.26 2.36 0.00 46 N 8.58 4.15 0.00 2.88 2.87 0.00 0.00 6.91 7.82 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 47 E 7.88 4.41 0.00 2.02 1.97 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 2.26 2.29 0.00 48 F 8.77 4.64 0.00 3.00 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 49 N 9.62 5.24 0.00 2.59 2.70 0.00 0.00 6.06 7.23 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 50 V 8.78 4.84 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 1.00 0.00 0.00 0.92 0.00 0.00 51 V 8.72 4.80 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 0.96 0.00 0.00 0.92 0.00 0.00 52 E 9.52 5.18 0.00 2.04 1.79 0.00 0.00 0.00 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 2.24 0.00 53 V 8.72 4.73 2.24 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 0.87 0.00 0.00 0.32 0.00 0.00 54 N 8.79 5.28 0.00 2.65 2.56 0.00 0.00 6.47 8.01 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 55 T 9.00 4.65 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 1.32 0.00 0.00 56 P 0.00 4.20 0.00 2.24 2.29 0.00 3.91 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 57 K 8.30 3.74 0.00 1.76 1.95 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.51 7.81 58 D 8.11 4.66 0.00 2.73 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 59 S 7.89 3.71 0.00 3.98 3.90 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 60 V 7.71 4.47 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 1.06 0.00 0.00 1.03 0.00 0.00 61 Q 8.59 4.90 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.45 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 62 I 8.54 4.56 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 1.25 1.23 0.97 0.00 0.00 63 P 0.00 4.82 0.00 1.98 1.98 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 64 I 9.11 4.53 2.04 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.98 1.12 0.00 0.00 65 A 7.71 4.72 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 66 V 8.48 4.72 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 0.89 0.00 0.00 0.90 0.00 0.00 67 L 8.95 5.01 0.00 1.58 1.65 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 68 K 9.09 4.65 0.00 1.48 1.42 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.00 0.91 7.81 69 A 8.53 4.09 1.26 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 0.00 0.00 0.00 70 G 9.53 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 71 E 8.38 4.36 0.00 1.80 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 0.00 2.22 2.26 0.00 72 T 7.53 4.50 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 1.24 0.00 0.00 73 R 8.60 4.17 0.00 1.95 1.93 0.00 3.35 0.00 0.00 3.43 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 74 A 7.61 5.10 1.26 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 0.00 0.00 0.00 75 V 8.67 4.49 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 0.83 0.00 0.00 0.95 0.00 0.00 76 N 8.44 5.73 0.00 2.57 2.73 0.00 0.00 7.29 8.02 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 77 P 0.00 4.25 0.00 2.07 2.17 0.00 3.84 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 2.06 2.11 0.00 78 D 7.51 4.38 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 79 V 7.40 4.52 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 0.69 0.00 0.00 0.96 0.00 0.00 80 E 8.12 4.96 0.00 1.63 1.67 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 2.15 2.48 0.00 81 F 9.04 4.97 0.00 2.98 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 82 Y 9.43 4.56 0.00 2.72 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 83 E 9.31 3.82 0.00 2.11 2.24 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 2.47 2.38 0.00 84 S 7.42 4.57 0.00 3.98 3.95 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 85 K 8.55 4.33 0.00 1.70 1.69 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.67 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.38 7.81 86 V 8.87 4.45 1.89 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 -0.45 0.00 0.00 0.78 0.00 0.00 87 T 8.20 4.89 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 1.23 0.00 0.00 88 F 9.09 5.30 0.00 3.05 2.91 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 89 K 9.23 4.99 0.00 1.65 1.67 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.35 7.81 90 L 8.50 4.93 0.00 1.67 1.61 1.03 1.14 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 91 I 8.46 4.13 1.88 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 1.39 0.72 0.92 0.00 0.00 92 K 7.95 4.53 0.00 1.75 1.72 0.00 1.52 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.51 7.81 93 G 9.28 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 0.00 0.00 0.00 0.00 94 S 9.22 4.54 0.00 3.83 3.85 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 0.00 0.00 0.00 95 G 8.51 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 96 P 0.00 4.56 0.00 1.74 2.10 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 97 V 8.39 4.43 1.94 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 0.96 0.00 0.00 0.83 0.00 0.00 98 Y 8.70 5.24 0.00 2.86 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 99 I 8.67 4.70 1.58 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.82 0.51 0.00 0.00 100 H 9.00 5.25 0.00 3.10 3.22 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.31 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 0.00 102 H 7.98 5.19 0.00 3.30 3.44 0.00 5.24 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 9.04 5.33 0.00 2.85 2.92 0.00 0.00 6.97 6.88 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 0.00 104 I 8.61 4.36 1.88 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 1.13 1.56 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.