NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3113 8.2985 121.5005 55.8872 30.7265 176.5570 2 A 3.8912 8.5918 128.3346 53.9214 18.8426 176.7533 3 A 4.1340 8.0540 118.1457 53.3409 20.1012 175.0224 4 V 4.5908 7.3052 116.5628 62.1490 32.3819 175.4730 5 T 4.7373 9.4669 125.2892 61.8690 71.4973 173.0604 6 Q 5.4189 8.8709 124.9658 54.2448 31.4909 175.1886 7 S 4.8558 8.9462 116.7898 56.0988 66.6825 172.3576 8 P 4.8612 0.0000 0.0000 61.8889 32.8847 175.9656 9 R 4.2103 8.4705 118.1626 58.9008 30.9897 175.7565 10 N 5.5732 7.9211 113.4371 51.5706 42.9679 174.1915 11 K 4.5261 8.9434 122.3163 55.2854 36.4055 174.4197 12 V 4.8726 8.5396 126.8686 61.2092 33.3087 174.3040 13 A 5.0021 9.5472 130.0593 50.2219 22.5954 174.8130 14 V 4.5488 8.3601 118.7759 61.0041 34.0940 175.5631 15 T 4.1138 8.2347 122.7243 65.7440 68.7599 174.7004 16 G 4.3521 8.9935 114.5622 44.6234 0.0000 173.5903 17 E 4.0101 7.9925 121.5852 56.1931 30.8900 175.6542 18 K 4.9795 8.4582 127.7165 55.0814 33.2688 175.7160 19 V 4.3817 8.8829 128.0270 61.2699 34.3627 174.0744 20 T 4.8526 8.4407 123.8076 61.7201 70.8968 173.2269 21 L 4.5842 8.5615 127.0034 53.1182 44.0467 175.6999 22 S 5.2338 9.1584 120.1743 57.1435 65.7988 172.4630 23 C 5.5505 8.8823 121.3817 55.0221 45.5169 172.0819 24 N 5.7519 9.5053 124.6485 51.8184 41.7818 172.8394 25 Q 5.6904 9.5727 123.8877 53.2809 31.6762 174.9872 26 T 4.5897 8.3706 110.6660 61.8265 69.4478 174.5795 27 N 4.2916 8.3397 118.3303 53.7447 38.7502 174.6088 28 N 4.2431 7.8732 115.2916 54.8061 37.3393 173.2819 29 H 4.9023 8.2047 111.8521 54.7109 30.4800 175.3040 30 N 4.6192 8.7194 119.4853 55.4856 39.6126 174.8321 31 N 5.5826 8.0256 115.5127 51.6135 40.6846 174.6320 32 M 5.0373 7.5733 120.6383 54.0218 37.0047 173.6522 33 Y 5.4677 9.1361 117.7145 56.4413 43.3874 174.1635 34 W 5.4837 9.8790 122.3427 55.4938 32.1727 174.3605 35 Y 5.5285 10.1749 122.8120 56.1607 41.3046 174.9400 36 R 5.1176 9.0624 117.1773 54.4968 33.2786 174.1273 37 Q 5.0886 9.1445 121.7772 53.9132 31.6397 175.4435 38 D 4.3914 9.1591 126.9065 56.9708 40.9056 178.7382 39 T 4.5917 7.4868 108.8223 61.3711 69.1411 174.1915 40 G 4.0546 8.5667 106.0189 48.1053 0.0000 174.0288 41 H 4.8139 7.5064 116.0472 54.9449 28.8238 176.8473 42 E 3.7431 9.1832 130.3162 57.5722 29.3490 175.6078 43 L 4.9096 8.4514 124.1128 53.2142 43.2106 175.9053 44 R 4.8313 9.0084 123.2370 54.0427 33.4606 174.9015 45 L 3.6952 8.5327 125.8933 55.3236 42.9796 176.4005 46 I 4.0541 8.9307 127.3293 63.0108 39.0061 175.2609 47 Y 5.3637 7.7492 117.5893 57.1805 42.5946 173.0704 48 Y 5.3974 9.1147 120.4725 55.9711 42.6713 173.5170 49 S 4.3885 8.1221 112.9031 57.1737 65.6987 174.0540 50 Y 4.7824 8.3928 122.6750 56.9120 38.4344 175.7158 51 G 4.1403 7.4707 110.5790 43.5267 0.0000 171.3371 52 A 4.1011 7.9241 121.5206 53.5466 18.5317 178.3844 53 G 4.0106 9.4837 111.8121 45.1935 0.0000 173.3946 54 S 4.7786 7.9085 114.5898 57.4946 63.8687 173.9285 55 T 4.6879 8.2234 122.2365 62.5074 72.2653 172.8919 56 E 4.5364 9.4122 126.1672 54.0295 33.2090 175.4393 57 K 3.1920 8.4971 124.0013 56.0843 32.6103 177.8360 58 G 4.0343 8.1997 116.4740 46.4961 0.0000 173.5050 59 D 4.6792 8.3871 119.8503 55.8877 41.3938 177.4982 60 I 4.6769 7.0643 109.7966 58.8381 37.1286 173.5396 61 P 4.4525 0.0000 0.0000 64.9848 32.3924 177.4010 62 D 4.3810 8.0141 119.9705 55.9702 41.2686 176.6133 63 G 3.6305 8.7757 112.1435 45.4844 0.0000 172.1776 *65 Y 5.2305 7.1832 115.4769 58.0421 39.2581 174.5973 66 K 4.5385 8.9657 120.0968 54.5426 36.4688 175.2026 67 A 4.6870 7.5702 123.1963 50.1850 22.6469 175.4088 68 S 4.4657 8.4918 113.0933 57.0363 66.3685 173.0988 69 R 5.4888 8.7313 127.2918 54.0670 29.7257 173.4821 70 P 4.3681 0.0000 0.0000 64.0986 32.2725 176.5823 71 S 4.6513 7.5459 111.3740 56.5868 66.1304 173.4633 72 Q 4.0773 8.6668 120.9494 59.0952 28.9813 176.7209 73 E 4.4080 8.1587 115.1437 57.8664 31.1545 176.1940 74 N 6.2015 7.6105 117.8381 50.4578 41.4989 174.0793 75 F 5.4148 8.8660 124.9014 57.0539 42.7378 173.1883 76 S 5.1893 9.0807 121.2184 56.5773 66.2635 172.7162 77 L 4.5344 8.0340 122.7584 53.3712 44.6220 174.9974 78 T 4.7654 9.1688 124.1426 61.7756 71.2922 173.4716 79 L 4.5168 8.8137 127.7453 53.2683 42.0149 176.9545 80 E 3.7837 8.7105 126.3942 58.7162 31.1242 175.9047 81 S 4.8231 7.8095 115.6653 55.6058 64.6414 172.0328 82 A 4.5228 9.1428 129.0506 52.6713 19.2313 176.2084 83 T 4.8493 8.8572 112.1667 59.0098 71.7882 173.8439 84 P 4.2302 0.0000 0.0000 65.5478 31.5383 178.1460 85 S 4.4267 7.5233 110.4233 59.3817 62.9848 174.5345 86 Q 4.6205 7.9287 119.4766 56.0369 29.1236 175.6863 87 T 4.2123 7.7510 116.4709 64.2485 68.9068 173.6461 88 S 4.5295 8.5258 120.3899 58.3203 67.4115 175.0499 89 V 4.6421 7.7486 122.0298 61.4298 33.2062 173.8161 90 Y 5.1580 9.0345 125.9512 56.3558 40.4773 174.5442 91 F 5.4559 9.9434 123.3633 55.9531 42.1654 173.8545 92 C 4.8453 9.4782 123.9917 55.6681 46.1232 172.0870 93 A 5.3562 8.9316 125.0422 50.6356 22.7370 175.1461 94 S 5.2817 9.0735 113.8309 56.9832 66.9891 173.2023 95 G 4.3202 9.1023 106.8720 45.1664 0.0000 173.6208 96 G 4.1910 8.8822 109.1489 44.2161 0.0000 171.3448 97 G 3.6045 9.6060 105.7106 44.5532 0.0000 174.4417 98 G 3.6480 8.8658 117.1186 46.9715 0.0000 176.3210 *105 T 3.9504 8.8420 113.4244 63.1039 69.9146 172.7381 106 L 4.6619 7.7965 124.0542 53.0184 44.4416 175.2857 107 Y 4.5733 8.5240 119.9146 56.2524 40.6693 174.8591 108 F 5.2419 8.9208 122.6218 55.7682 40.2052 175.8807 109 G 4.1608 9.4026 109.5859 45.4222 0.0000 174.6114 110 A 4.2621 8.7415 122.1584 53.2957 18.6979 178.7062 111 G 3.5633 7.9508 101.7446 45.1632 0.0000 173.2285 112 T 4.7357 8.5199 116.7514 61.4599 72.0966 173.0818 113 R 4.7519 8.8843 128.1768 55.3295 31.6430 174.6174 114 L 5.3499 9.1044 129.0005 53.3853 44.9454 174.9999 115 S 5.1480 8.9692 121.8753 56.6340 66.2114 173.1427 116 V 4.7148 8.1959 123.9513 61.0087 33.1072 175.2574 117 L 4.3107 9.3349 129.3068 54.2601 43.1619 176.5387 118 S 4.1692 9.0524 117.3563 60.1626 62.9336 174.2179 119 S 4.1307 8.0053 122.5284 58.4109 62.2296 172.5328 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 E 8.30 4.31 0.00 2.20 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 2.13 2.41 0.00 2 A 8.59 3.89 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 3 A 8.05 4.13 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 4 V 7.31 4.59 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 0.87 0.00 0.00 1.00 0.00 0.00 5 T 9.47 4.74 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 1.25 0.00 0.00 6 Q 8.87 5.42 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 7 S 8.95 4.86 0.00 3.88 3.94 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 8 P 0.00 4.86 0.00 2.39 2.12 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 9 R 8.47 4.21 0.00 1.99 1.98 0.00 3.20 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 10 N 7.92 5.57 0.00 2.59 2.65 0.00 0.00 6.61 7.61 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 11 K 8.94 4.53 0.00 1.83 1.57 0.00 1.45 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.40 7.81 12 V 8.54 4.87 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 0.85 0.00 0.00 0.94 0.00 0.00 13 A 9.55 5.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 4.55 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 0.97 0.00 0.00 0.92 0.00 0.00 15 T 8.23 4.11 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 1.22 0.00 0.00 16 G 8.99 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 0.00 0.00 0.00 17 E 7.99 4.01 0.00 2.05 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 2.26 2.22 0.00 18 K 8.46 4.98 0.00 1.86 1.65 0.00 1.54 0.00 0.00 0.62 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.20 7.81 19 V 8.88 4.38 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 0.60 0.00 0.00 0.85 0.00 0.00 20 T 8.44 4.85 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 1.12 0.00 0.00 21 L 8.56 4.58 0.00 0.60 1.23 0.06 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.16 5.23 0.00 3.93 3.83 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 23 C 8.88 5.55 0.00 2.86 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 9.51 5.75 0.00 2.85 2.62 0.00 0.00 6.38 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 25 Q 9.57 5.69 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 26 T 8.37 4.59 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 27 N 8.34 4.29 0.00 2.49 2.27 0.00 0.00 6.80 7.90 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 28 N 7.87 4.24 0.00 2.78 2.83 0.00 0.00 7.03 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 29 H 8.20 4.90 0.00 3.17 3.36 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.72 4.62 0.00 2.72 3.11 0.00 0.00 6.94 6.92 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 31 N 8.03 5.58 0.00 2.94 2.59 0.00 0.00 6.49 8.04 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 32 M 7.57 5.04 0.00 1.77 1.28 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 33 Y 9.14 5.47 0.00 3.12 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 34 W 9.88 5.48 0.00 3.31 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 35 Y 10.17 5.53 0.00 3.13 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 36 R 9.06 5.12 0.00 1.26 1.44 0.00 2.65 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 37 Q 9.14 5.09 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 38 D 9.16 4.39 0.00 2.72 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 39 T 7.49 4.59 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 1.22 0.00 0.00 40 G 8.57 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 0.00 0.00 0.00 41 H 7.51 4.81 0.00 3.08 2.44 0.00 5.90 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.18 3.74 0.00 2.02 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 2.44 2.35 0.00 43 L 8.45 4.91 0.00 1.52 1.54 0.52 0.56 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 44 R 9.01 4.83 0.00 1.75 1.84 0.00 3.16 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 45 L 8.53 3.70 0.00 1.39 1.42 0.45 0.69 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 46 I 8.93 4.05 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.57 0.52 0.00 0.00 47 Y 7.75 5.36 0.00 2.91 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 48 Y 9.11 5.40 0.00 2.40 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 49 S 8.12 4.39 0.00 3.22 2.63 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 0.00 0.00 0.00 50 Y 8.39 4.78 0.00 3.00 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 51 G 7.47 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 0.00 0.00 0.00 0.00 52 A 7.92 4.10 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 53 G 9.48 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 0.00 0.00 0.00 54 S 7.91 4.78 0.00 3.94 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 55 T 8.22 4.69 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 1.33 0.00 0.00 56 E 9.41 4.54 0.00 1.16 1.12 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 1.65 1.64 0.00 57 K 8.50 3.19 0.00 1.48 1.47 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.03 1.35 7.81 58 G 8.20 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.39 4.68 0.00 2.58 2.75 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 60 I 7.06 4.68 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.95 0.00 0.00 61 P 0.00 4.45 0.00 2.09 1.72 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 62 D 8.01 4.38 0.00 2.75 2.70 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 63 G 8.78 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 *65 Y 7.18 5.23 0.00 3.33 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 66 K 8.97 4.54 0.00 1.47 1.47 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.45 7.81 67 A 7.57 4.69 0.51 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 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.49 4.47 0.00 3.83 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.73 5.49 0.00 2.05 1.86 0.00 3.49 0.00 0.00 2.85 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 70 P 0.00 4.37 0.00 2.24 2.19 0.00 4.14 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 71 S 7.55 4.65 0.00 4.09 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 72 Q 8.67 4.08 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.15 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 73 E 8.16 4.41 0.00 2.23 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 0.00 2.37 2.29 0.00 74 N 7.61 6.20 0.00 2.79 2.81 0.00 0.00 6.63 7.33 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 75 F 8.87 5.41 0.00 2.96 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 76 S 9.08 5.19 0.00 3.90 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 77 L 8.03 4.53 0.00 0.27 0.13 0.59 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 78 T 9.17 4.77 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 1.10 0.00 0.00 79 L 8.81 4.52 0.00 1.41 1.43 0.74 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.71 3.78 0.00 2.02 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 2.33 2.32 0.00 81 S 7.81 4.82 0.00 3.83 3.61 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 82 A 9.14 4.52 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 83 T 8.86 4.85 4.21 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 1.22 0.00 0.00 84 P 0.00 4.23 0.00 2.20 2.15 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 85 S 7.52 4.43 0.00 3.83 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 86 Q 7.93 4.62 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 87 T 7.75 4.21 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 88 S 8.53 4.53 0.00 3.87 3.22 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 89 V 7.75 4.64 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 0.35 0.00 0.00 0.94 0.00 0.00 90 Y 9.03 5.16 0.00 3.05 3.19 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 91 F 9.94 5.46 0.00 3.17 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.48 4.85 0.00 1.53 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 93 A 8.93 5.36 0.76 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 0.00 0.00 94 S 9.07 5.28 0.00 3.95 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 95 G 9.10 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.88 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 97 G 9.61 3.60 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 0.00 0.00 0.00 98 G 8.87 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 *105 T 8.84 3.95 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 0.64 0.00 0.00 106 L 7.80 4.66 0.00 1.04 0.64 0.60 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.52 4.57 0.00 2.81 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 0.00 108 F 8.92 5.24 0.00 2.85 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 0.00 109 G 9.40 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 0.00 0.00 0.00 0.00 110 A 8.74 4.26 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.95 3.56 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 0.00 112 T 8.52 4.74 4.39 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 1.28 0.00 0.00 113 R 8.88 4.75 0.00 1.90 2.00 0.00 3.05 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 114 L 9.10 5.35 0.00 1.83 1.85 0.87 1.11 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 0.00 115 S 8.97 5.15 0.00 3.80 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 0.00 116 V 8.20 4.71 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 0.73 0.00 0.00 0.94 0.00 0.00 117 L 9.33 4.31 0.00 1.64 1.56 1.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 118 S 9.05 4.17 0.00 3.88 3.79 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 0.00 0.00 0.00 119 S 8.01 4.13 0.00 3.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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.