NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4166 8.1933 115.2925 58.5229 63.5731 173.4857 3 Q 4.4747 8.5487 125.2231 55.0795 30.2723 173.2031 4 Q 4.5681 9.0646 124.5188 56.2861 30.4500 175.1039 5 V 4.9580 9.1384 119.6162 60.0374 36.3575 174.6195 6 T 5.3287 8.2566 117.1891 61.0548 72.0443 173.6671 *8 S 5.0037 8.3082 116.2238 58.8967 64.7952 172.5915 9 F 5.5721 8.8758 114.9651 56.3246 41.5233 172.9565 10 S 4.5889 9.2102 113.3207 56.8780 66.7917 173.0722 11 V 4.8067 8.2458 113.6440 59.7177 34.6337 175.5853 12 V 4.3705 9.0113 125.9928 60.4290 32.9135 172.6412 13 P 5.0374 0.0000 0.0000 62.1847 33.0933 175.2983 14 Q 4.6348 8.8887 120.4908 54.3103 31.0196 175.1333 15 A 4.7923 8.3886 126.8121 50.4569 20.3256 176.1735 16 K 3.9152 9.4698 123.2049 60.0820 32.2608 178.7292 17 T 4.5004 7.7664 105.5686 61.0758 69.1810 174.1194 18 K 4.6830 7.5960 120.5482 54.7046 36.6038 175.6132 19 D 4.5498 8.4598 121.2084 52.9096 40.4978 177.8471 20 V 3.6448 8.3871 116.0937 64.8538 31.5283 178.1914 21 Y 4.4797 7.8747 115.9396 61.5217 37.4611 178.9392 22 S 4.2248 8.0886 114.8374 61.3209 63.2742 176.6615 23 V 3.7409 7.7253 120.6230 66.1039 31.4124 178.1856 24 V 3.6644 8.2262 118.3182 65.8783 31.1819 177.2983 25 D 4.3422 8.1550 118.0655 57.3990 40.8174 178.5112 26 K 3.9976 8.1571 118.4783 58.9657 31.4848 179.3391 27 A 4.0586 7.8627 120.9013 55.3124 18.4171 179.5825 28 I 3.7130 8.1709 118.7880 64.3509 37.1204 178.1242 29 E 3.9009 8.4836 120.6043 59.2731 29.1427 179.0061 30 V 3.5526 7.2817 117.2645 65.9817 31.8396 177.9084 31 V 3.6065 7.3755 116.7566 66.1887 31.1755 177.9761 32 Q 3.8039 7.9237 116.6982 58.7120 28.6258 178.1612 33 Q 4.3328 7.8626 116.4929 56.6435 29.1581 177.6030 34 S 4.3018 7.7459 116.0978 59.4432 63.4216 175.3910 35 G 4.0278 8.4339 109.4311 44.9584 0.0000 173.7975 36 V 4.0344 7.1039 112.3060 60.3310 32.7062 175.9586 37 R 4.2491 8.4273 123.3183 57.0890 30.9426 174.8445 38 Y 5.4213 7.9651 122.4548 56.0958 41.6425 173.5465 39 E 4.5982 9.3854 120.7520 54.6578 33.3469 174.1087 40 V 4.1849 8.8335 127.5851 62.5023 32.2801 175.5767 41 G 4.0474 8.4185 116.6476 43.3899 0.0000 173.3066 42 A 3.9523 8.3492 119.8032 53.6805 18.3879 177.1053 *44 E 4.1425 7.8006 114.4512 56.6221 31.6936 174.6157 45 T 4.9619 8.2691 117.4271 62.3030 71.0881 173.6680 46 T 4.9024 9.0577 123.1842 62.2024 70.6830 173.8492 47 L 5.4430 8.6072 124.3496 52.9842 45.9454 174.8944 48 E 4.8019 9.9956 122.0344 53.7329 32.7188 176.5804 49 G 3.8147 7.9706 112.3246 45.0950 0.0000 170.6197 50 E 4.4378 8.2681 120.9807 55.7357 31.0003 177.5694 51 L 3.8914 8.7036 129.1682 58.9330 42.1530 179.2627 52 D 4.2891 8.0135 117.8145 57.1646 40.8084 178.7878 53 V 3.5564 7.7045 118.2870 66.0484 31.6140 177.9719 54 L 3.9564 8.1493 118.8860 57.7604 41.3777 179.4271 55 L 3.9029 8.1130 119.1764 57.8292 41.4366 179.1392 56 D 4.2181 8.1121 117.9953 57.0722 41.0540 178.2823 57 V 3.4496 7.7713 118.8497 66.0628 31.4079 178.2083 58 V 2.8240 7.5355 117.7305 65.5761 31.3207 177.7623 59 K 3.8295 8.0799 119.5377 59.7432 31.9287 178.9942 60 R 3.9504 8.2761 118.2115 58.7904 29.7922 178.8642 61 A 3.9707 8.1236 121.2545 55.0663 18.1901 179.3308 62 Q 3.9291 8.3158 118.4026 59.5286 29.0700 178.3915 63 Q 4.0269 8.2128 120.2407 59.1527 29.0430 177.9756 64 A 3.9817 8.3346 122.0347 55.3036 18.2756 179.3860 65 C 4.0667 7.9050 115.2288 63.0428 28.2100 176.5432 66 V 3.8532 7.3345 119.6488 65.6974 30.9476 177.8529 67 D 4.3745 8.2989 117.3010 56.6516 40.7014 177.6507 68 A 4.4392 7.7292 119.2486 51.5373 19.1910 176.9995 69 G 3.7218 7.7403 104.6302 44.8321 0.0000 174.5502 70 A 4.2953 8.3861 125.1562 51.9772 18.9543 178.9474 71 E 4.0581 9.0104 123.3769 59.0860 29.9480 176.7049 72 E 4.8160 7.6527 114.3844 55.4580 33.2456 174.3319 73 V 4.8027 8.1181 118.9412 61.5494 35.0393 173.7554 74 I 4.4396 8.8130 128.5767 60.1256 39.0053 174.5315 75 T 5.1220 8.5873 124.0003 61.8874 70.5994 173.9651 76 S 4.9749 9.1676 122.6435 56.8835 65.8632 173.3627 77 I 5.2448 8.2658 122.9340 59.6332 41.1159 174.5333 78 K 4.6875 9.3126 126.5518 54.8077 35.1536 175.3282 79 I 4.7556 8.5328 127.0420 59.7547 40.5476 174.2103 80 H 4.8831 9.3374 127.1334 54.8095 31.4577 172.5742 81 Y 5.0014 8.7425 127.1081 55.9866 40.8102 176.1650 82 R 4.4057 7.8209 126.6256 54.3243 30.8391 173.0279 83 P 5.0208 0.0000 0.0000 63.6240 32.0031 178.8136 84 S 4.2534 7.9742 114.0596 60.9806 62.9432 174.9927 85 T 4.3994 7.3790 106.4785 59.4085 69.9977 174.6479 86 G 4.0675 8.5487 108.1035 45.4084 0.0000 172.8502 87 V 4.6141 8.1599 118.0559 60.4503 34.2443 175.3611 88 T 4.8761 8.0771 116.1335 59.2947 73.3570 175.0633 89 I 3.9099 9.0211 123.4539 64.9169 37.2248 178.6999 90 D 4.5399 8.2148 119.4172 57.2494 40.4828 178.4818 91 E 4.2192 7.9153 117.6860 59.2478 29.6019 178.8970 92 K 4.2714 7.9698 117.9425 57.8942 32.6217 178.4704 93 V 4.3340 7.5557 110.4589 60.9050 32.6614 177.4565 94 W 2.8813 7.5419 116.5083 59.2253 27.7598 178.1170 95 K 3.1564 6.1253 116.9776 57.5429 31.3430 176.9277 96 Y 4.8588 7.3109 114.4750 57.3123 39.5059 175.4901 97 R 4.7888 7.5664 119.2813 54.0983 33.6107 175.9904 98 D 4.4926 9.0884 122.5351 57.4228 40.9616 177.7611 99 E 4.0586 8.3019 115.2771 58.5324 29.5610 176.7588 100 Y 4.4897 7.9448 116.6270 57.8260 38.1234 175.4490 101 A 4.2714 7.9903 128.8313 52.5544 18.6155 178.1901 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 2 S 8.19 4.42 0.00 3.87 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 3 Q 8.55 4.47 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 4 Q 9.06 4.57 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 5 V 9.14 4.96 2.31 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 1.04 0.00 0.00 1.04 0.00 0.00 6 T 8.26 5.33 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 1.33 0.00 0.00 *8 S 8.31 5.00 0.00 3.96 4.10 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 9 F 8.88 5.57 0.00 3.32 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 10 S 9.21 4.59 0.00 3.77 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 11 V 8.25 4.81 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.99 0.00 0.00 12 V 9.01 4.37 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 1.08 0.00 0.00 0.94 0.00 0.00 13 P 0.00 5.04 0.00 2.12 2.05 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 14 Q 8.89 4.63 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.62 0.00 15 A 8.39 4.79 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 16 K 9.47 3.92 0.00 1.74 1.89 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.54 7.81 17 T 7.77 4.50 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 18 K 7.60 4.68 0.00 1.65 1.69 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.28 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.63 7.81 19 D 8.46 4.55 0.00 2.76 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 20 V 8.39 3.64 2.07 0.00 0.00 0.00 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 0.75 0.00 0.00 21 Y 7.87 4.48 0.00 3.16 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 22 S 8.09 4.22 0.00 4.12 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 23 V 7.73 3.74 2.25 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 1.10 0.00 0.00 0.95 0.00 0.00 24 V 8.23 3.66 2.17 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 1.02 0.00 0.00 1.05 0.00 0.00 25 D 8.16 4.34 0.00 3.03 2.86 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 26 K 8.16 4.00 0.00 2.00 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.61 7.81 27 A 7.86 4.06 1.46 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 0.00 0.00 28 I 8.17 3.71 1.97 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 1.35 0.71 0.86 0.00 0.00 29 E 8.48 3.90 0.00 2.13 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 0.00 2.44 2.32 0.00 30 V 7.28 3.55 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 0.86 0.00 0.00 1.00 0.00 0.00 31 V 7.38 3.61 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 0.46 0.00 0.00 1.16 0.00 0.00 32 Q 7.92 3.80 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 33 Q 7.86 4.33 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 34 S 7.75 4.30 0.00 4.03 4.11 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 35 G 8.43 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 36 V 7.10 4.03 2.35 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 0.69 0.00 0.00 1.02 0.00 0.00 37 R 8.43 4.25 0.00 1.92 1.85 0.00 3.19 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 38 Y 7.97 5.42 0.00 3.17 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 39 E 9.39 4.60 0.00 2.00 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 2.22 2.23 0.00 40 V 8.83 4.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.08 0.00 0.00 41 G 8.42 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 42 A 8.35 3.95 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 *44 E 7.80 4.14 0.00 2.12 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 2.24 2.30 0.00 45 T 8.27 4.96 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 1.39 0.00 0.00 46 T 9.06 4.90 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 1.29 0.00 0.00 47 L 8.61 5.44 0.00 1.64 1.60 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 48 E 10.00 4.80 0.00 2.00 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 2.28 0.00 49 G 7.97 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 0.00 0.00 0.00 50 E 8.27 4.44 0.00 2.11 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 2.38 2.43 0.00 51 L 8.70 3.89 0.00 1.87 1.64 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.01 4.29 0.00 2.71 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 53 V 7.70 3.56 2.22 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 1.07 0.00 0.00 0.93 0.00 0.00 54 L 8.15 3.96 0.00 1.99 1.67 1.05 0.97 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 55 L 8.11 3.90 0.00 1.77 1.66 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.11 4.22 0.00 2.76 2.79 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 57 V 7.77 3.45 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 0.87 0.00 0.00 0.94 0.00 0.00 58 V 7.54 2.82 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 0.82 0.00 0.00 0.33 0.00 0.00 59 K 8.08 3.83 0.00 1.79 1.87 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 60 R 8.28 3.95 0.00 1.89 1.92 0.00 3.15 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 61 A 8.12 3.97 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 62 Q 8.32 3.93 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 63 Q 8.21 4.03 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 64 A 8.33 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.91 4.07 0.00 3.16 3.02 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 66 V 7.33 3.85 2.22 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 1.25 0.00 0.00 0.94 0.00 0.00 67 D 8.30 4.37 0.00 2.82 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 68 A 7.73 4.44 1.37 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 69 G 7.74 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 0.00 0.00 0.00 70 A 8.39 4.30 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 71 E 9.01 4.06 0.00 1.94 2.02 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 2.34 2.29 0.00 72 E 7.65 4.82 0.00 2.00 2.00 0.00 0.00 0.00 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 2.31 0.00 73 V 8.12 4.80 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 0.95 0.00 0.00 74 I 8.81 4.44 1.88 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 0.86 0.92 0.00 0.00 75 T 8.59 5.12 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 1.35 0.00 0.00 76 S 9.17 4.97 0.00 3.76 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 77 I 8.27 5.24 1.90 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 1.30 0.66 0.95 0.00 0.00 78 K 9.31 4.69 0.00 1.70 1.66 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 79 I 8.53 4.76 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.95 0.00 0.00 80 H 9.34 4.88 0.00 3.24 3.20 0.00 5.55 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.74 5.00 0.00 2.84 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 82 R 7.82 4.41 0.00 1.78 1.64 0.00 3.34 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 83 P 0.00 5.02 0.00 2.09 1.96 0.00 2.93 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.38 0.00 84 S 7.97 4.25 0.00 3.96 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 85 T 7.38 4.40 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 1.19 0.00 0.00 86 G 8.55 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 4.61 2.04 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 0.74 0.00 0.00 0.85 0.00 0.00 88 T 8.08 4.88 4.40 0.00 0.00 0.00 0.00 0.00 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 89 I 9.02 3.91 1.95 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 1.59 1.07 1.01 0.00 0.00 90 D 8.21 4.54 0.00 2.82 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 91 E 7.92 4.22 0.00 2.15 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 0.00 2.59 2.43 0.00 92 K 7.97 4.27 0.00 1.95 1.98 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.52 1.76 7.81 93 V 7.56 4.33 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 1.02 0.00 0.00 0.90 0.00 0.00 94 W 7.54 2.88 0.00 3.33 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 95 K 6.13 3.16 0.00 0.79 0.74 0.00 0.91 0.00 0.00 1.01 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.21 7.81 96 Y 7.31 4.86 0.00 2.93 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 97 R 7.57 4.79 0.00 2.15 2.01 0.00 3.43 0.00 0.00 3.62 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 98 D 9.09 4.49 0.00 2.71 2.78 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 99 E 8.30 4.06 0.00 1.94 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 0.00 2.39 2.02 0.00 100 Y 7.94 4.49 0.00 3.31 3.18 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 0.00 101 A 7.99 4.27 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 * Residues marked with a * may have inaccurate shift predictions.