NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2367 8.2985 120.2468 56.2543 30.7436 176.2813 2 A 4.0302 8.5390 126.1049 53.3477 18.8781 176.5369 3 A 4.1064 7.9217 118.0584 53.7457 20.6385 175.7096 4 V 4.6346 7.5791 115.8479 61.8222 32.5004 175.5384 5 T 4.7245 9.0372 119.1267 60.0574 71.2671 173.2604 6 Q 5.3018 8.8422 124.1721 54.4670 31.9788 174.9315 7 S 4.7094 9.0253 115.6394 56.5413 66.0993 172.3575 8 P 4.8814 0.0000 0.0000 61.5726 33.5206 175.1229 9 R 4.2753 8.4033 117.1846 58.3748 31.2639 175.9090 10 N 5.5590 8.0218 114.6835 51.2333 42.1878 174.1701 11 K 4.6112 9.0211 123.8504 54.8509 36.2468 174.6507 12 V 4.8653 8.5393 126.2830 61.0594 33.7896 174.2688 13 A 5.0303 9.3135 129.0614 50.2484 22.5510 175.4292 14 V 4.5587 8.3785 112.7249 59.9630 34.1544 176.3129 15 T 4.1015 8.1613 120.3192 65.4769 68.8575 175.3219 16 G 4.2866 9.4233 115.2544 44.4488 0.0000 173.0935 17 E 4.0396 8.0444 121.0236 56.4328 30.9100 176.0195 18 K 4.9221 8.4834 127.3654 54.9657 32.9188 175.5758 19 V 4.3218 8.4754 128.3105 61.4714 34.0857 174.8771 20 T 4.8343 8.1305 122.5901 61.6695 71.3435 173.2773 21 L 4.2127 8.2461 127.5677 54.2566 43.1895 176.4379 22 S 5.2842 8.9766 119.0162 56.9030 66.1760 172.2877 23 C 5.5293 9.0396 123.4715 54.8409 45.9317 172.0703 24 N 5.8469 9.2471 123.8923 51.8411 42.0509 172.8388 25 Q 5.6942 9.3250 123.4997 53.1868 31.5791 175.3714 26 T 4.6464 8.4450 114.4412 61.7244 68.7979 175.0538 27 N 4.3456 8.5236 119.6698 54.0962 39.3190 175.1041 28 N 4.2471 8.0509 114.9656 54.7631 37.2021 173.2139 29 H 4.8566 8.0090 112.1742 54.6728 30.0381 175.6068 30 N 4.6635 8.7421 120.1790 55.8733 39.1905 175.0833 31 N 5.5179 7.7905 116.1703 52.2493 40.0349 174.6993 32 M 5.3060 7.8259 121.5333 53.8856 36.7930 173.8019 33 Y 5.5690 9.3165 118.0962 56.3929 43.4471 174.4699 34 W 5.3805 9.5760 120.6997 55.6694 32.5956 174.3613 35 Y 5.5013 10.3299 123.6543 56.1717 41.4407 175.0673 36 R 4.9997 9.0271 116.5249 54.6271 33.1496 173.8231 37 Q 4.9705 9.4189 124.1490 53.7153 32.1799 175.1767 38 D 5.1709 8.3116 127.7137 52.8134 39.4357 175.7498 39 T 4.2118 8.3879 104.6376 62.9775 70.1043 174.2154 40 G 4.0356 8.5143 108.1655 46.9122 0.0000 174.5895 41 H 4.7921 7.4184 117.4460 54.5272 29.0429 174.2783 42 E 3.9897 8.9032 125.5281 58.0844 29.9069 177.4549 43 L 4.7403 8.4755 126.5140 54.2147 43.2059 176.1672 44 R 4.8611 9.0167 122.3016 53.9525 33.5830 175.0170 45 L 3.6465 8.5894 125.7427 55.6470 42.9510 176.2569 46 I 4.1468 9.0302 127.1549 62.8644 38.8142 175.0547 47 Y 5.2891 7.7994 118.0669 56.8811 42.7428 173.0250 48 Y 5.5918 9.0509 119.7671 55.9805 42.6606 173.6135 49 S 4.3724 8.3308 113.4200 57.0789 65.4176 174.3366 50 Y 4.4264 8.7067 124.0468 58.4270 38.3281 175.4315 51 G 4.0323 7.0865 107.5780 44.0816 0.0000 171.2009 52 A 4.1860 8.0951 122.3226 54.0185 18.4089 178.0587 53 G 3.9822 9.0377 112.1262 44.8131 0.0000 173.2826 54 S 4.7081 7.7722 114.6864 57.4750 63.7349 174.0050 55 T 4.6181 8.3151 122.8126 62.4957 71.8963 172.8649 56 E 4.5381 8.9348 126.6926 53.8030 32.7943 176.0062 57 K 2.9726 8.5252 124.0472 55.6859 32.5004 177.3560 58 G 4.1920 8.5144 118.3054 47.1137 0.0000 175.2417 59 D 4.7924 9.0550 122.7579 54.8296 41.6721 177.1268 60 I 4.7015 7.0969 110.4590 58.9036 37.1259 173.3755 61 P 4.6457 0.0000 0.0000 64.1881 32.3854 177.0098 62 D 4.3809 7.9849 120.5677 55.9500 41.1884 176.5715 63 G 3.6296 8.7587 112.7728 45.4540 0.0000 172.0905 *65 Y 5.2391 7.2268 115.4620 58.0290 39.3210 174.3306 66 K 4.5366 8.7299 121.4154 54.7178 36.1836 174.7402 67 A 4.8572 7.6859 125.2172 50.3528 22.9478 175.3149 68 S 4.4330 8.6495 113.0757 56.9384 66.2873 173.7195 69 R 5.4773 8.7139 127.6739 53.0767 28.5922 173.8612 70 P 4.2843 0.0000 0.0000 64.9567 31.9279 176.7927 71 S 4.6532 7.5131 110.2131 56.3966 66.1507 172.9378 72 Q 4.0431 8.8874 120.4664 59.5086 28.8288 177.2465 73 E 4.3956 8.1186 113.2009 56.4176 30.7031 174.6215 74 N 5.6258 7.8707 118.0018 51.6675 42.0093 173.2361 75 F 5.4105 9.3082 125.7317 56.7779 42.8070 173.1849 76 S 5.0946 9.1720 121.4002 56.4393 65.9227 172.6160 77 L 4.4519 7.6510 124.7150 53.4017 44.1050 174.9212 78 T 4.8751 8.8579 122.7278 61.7163 71.8591 173.1933 79 L 4.5802 8.8851 127.2965 53.2878 41.8596 176.6779 80 E 3.7990 8.7565 126.4608 58.9780 31.0163 176.2175 81 S 4.9300 8.0544 115.4549 55.2754 64.9472 172.3140 82 A 4.4152 9.0322 129.2234 53.0810 19.3265 176.0697 83 T 4.8204 8.5824 115.5728 59.5685 70.9396 173.1091 84 P 4.5552 0.0000 0.0000 65.4135 31.5940 178.6783 85 S 4.2517 7.5490 110.5849 60.6612 63.0230 175.0830 86 Q 4.4127 8.2294 118.8720 56.6346 28.9313 175.7658 87 T 4.2358 7.7148 114.4753 62.2934 68.0420 173.4059 88 S 4.5354 8.4128 122.1862 58.5069 67.7428 174.7965 89 V 4.6332 7.8245 121.2724 61.4824 32.9402 174.1703 90 Y 5.0697 9.0954 126.8949 56.9864 39.6908 174.7469 91 F 5.6455 9.9840 122.6629 55.9369 42.8370 173.3298 92 C 4.9878 9.5454 122.3876 54.7129 45.7710 172.3924 93 A 5.1730 8.6509 125.7377 50.3600 22.6078 174.9412 94 S 5.3230 8.8462 113.7580 56.9829 67.0474 173.2093 95 G 4.2709 9.1484 105.1098 45.2416 0.0000 174.3135 96 G 4.0510 8.6388 112.5710 44.8333 0.0000 174.1248 97 G 3.9338 8.2501 107.0099 46.8573 0.0000 173.0567 98 G 3.7819 8.2478 113.4505 46.2159 0.0000 176.7779 *105 T 3.8828 8.5614 116.5619 62.9077 69.4093 172.4711 106 L 4.6220 7.9183 124.6019 53.0791 43.9667 175.2597 107 Y 4.8072 8.7251 121.2912 56.3643 40.3495 175.2675 108 F 5.0771 9.2373 122.9564 56.3294 40.9925 175.7682 109 G 4.1801 9.2130 109.1448 44.9691 0.0000 174.7334 110 A 3.9418 8.7351 122.1029 53.5795 18.5636 178.9635 111 G 3.7664 8.3779 100.7036 45.5877 0.0000 173.2786 112 T 4.6474 8.5574 115.8599 61.4457 72.1817 173.5586 113 R 4.5265 9.3007 129.2726 55.6693 31.2931 174.7494 114 L 5.2614 9.0098 129.6671 53.4722 44.5502 175.1221 115 S 5.1670 9.0325 122.3216 56.6797 66.2259 173.1455 116 V 4.7267 8.3687 123.0366 61.1178 33.4991 174.2219 117 L 4.6546 9.0889 131.0880 53.4188 43.8171 176.6123 118 S 5.0662 8.5216 119.0789 58.0634 63.2848 173.8579 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 4.24 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 1.82 1.47 0.00 2 A 8.54 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 3 A 7.92 4.11 1.19 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 4 V 7.58 4.63 2.13 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 0.88 0.00 0.00 1.00 0.00 0.00 5 T 9.04 4.72 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 1.23 0.00 0.00 6 Q 8.84 5.30 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 7 S 9.03 4.71 0.00 3.89 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 4.88 0.00 2.35 2.07 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 9 R 8.40 4.28 0.00 2.00 1.98 0.00 3.38 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 10 N 8.02 5.56 0.00 2.60 2.67 0.00 0.00 6.58 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 9.02 4.61 0.00 1.82 1.56 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.39 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 0.86 0.00 0.00 0.94 0.00 0.00 13 A 9.31 5.03 1.16 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 14 V 8.38 4.56 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 0.68 0.00 0.00 0.99 0.00 0.00 15 T 8.16 4.10 4.23 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 1.22 0.00 0.00 16 G 9.42 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 17 E 8.04 4.04 0.00 2.11 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 2.26 2.23 0.00 18 K 8.48 4.92 0.00 1.75 1.67 0.00 1.57 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.32 7.81 19 V 8.48 4.32 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 0.56 0.00 0.00 0.85 0.00 0.00 20 T 8.13 4.83 4.15 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 0.00 0.00 0.00 1.11 0.00 0.00 21 L 8.25 4.21 0.00 0.62 1.27 0.02 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.98 5.28 0.00 3.82 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 23 C 9.04 5.53 0.00 2.82 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 24 N 9.25 5.85 0.00 2.98 2.62 0.00 0.00 6.45 6.67 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 25 Q 9.33 5.69 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.22 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 26 T 8.44 4.65 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 1.20 0.00 0.00 27 N 8.52 4.35 0.00 2.59 2.12 0.00 0.00 7.12 8.00 0.00 0.00 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 8.05 4.25 0.00 2.81 2.90 0.00 0.00 7.02 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 8.01 4.86 0.00 3.37 3.38 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.74 4.66 0.00 2.82 3.09 0.00 0.00 7.05 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 7.79 5.52 0.00 2.85 2.50 0.00 0.00 6.39 7.55 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 32 M 7.83 5.31 0.00 1.87 1.32 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 33 Y 9.32 5.57 0.00 3.02 2.84 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 34 W 9.58 5.38 0.00 3.45 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 35 Y 10.33 5.50 0.00 3.18 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 36 R 9.03 5.00 0.00 1.29 1.52 0.00 2.67 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 37 Q 9.42 4.97 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 38 D 8.31 5.17 0.00 2.76 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 39 T 8.39 4.21 4.37 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 1.22 0.00 0.00 40 G 8.51 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 41 H 7.42 4.79 0.00 3.16 3.17 0.00 5.88 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 42 E 8.90 3.99 0.00 2.00 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 2.38 0.00 43 L 8.48 4.74 0.00 1.47 1.71 0.62 0.35 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 44 R 9.02 4.86 0.00 1.79 1.85 0.00 3.17 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 1.72 1.59 0.00 45 L 8.59 3.65 0.00 1.38 1.41 0.54 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.03 4.15 2.02 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.82 0.54 0.00 0.00 47 Y 7.80 5.29 0.00 2.90 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 48 Y 9.05 5.59 0.00 2.50 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 49 S 8.33 4.37 0.00 2.99 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 8.71 4.43 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 7.09 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 52 A 8.10 4.19 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 9.04 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 54 S 7.77 4.71 0.00 3.93 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 55 T 8.32 4.62 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 1.35 0.00 0.00 56 E 8.93 4.54 0.00 1.16 1.13 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 1.67 1.65 0.00 57 K 8.53 2.97 0.00 1.45 1.44 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.09 1.35 7.81 58 G 8.51 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 59 D 9.05 4.79 0.00 2.61 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 7.10 4.70 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.71 0.96 0.00 0.00 61 P 0.00 4.65 0.00 2.09 1.90 0.00 3.78 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 1.98 1.88 0.00 62 D 7.98 4.38 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 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 7.23 5.24 0.00 3.30 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 66 K 8.73 4.54 0.00 1.71 1.44 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.14 1.28 7.81 67 A 7.69 4.86 0.57 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 0.00 0.00 68 S 8.65 4.43 0.00 3.85 3.64 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 0.00 0.00 0.00 0.00 69 R 8.71 5.48 0.00 2.04 1.78 0.00 3.63 0.00 0.00 2.89 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 70 P 0.00 4.28 0.00 2.24 2.21 0.00 4.17 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 2.05 2.02 0.00 71 S 7.51 4.65 0.00 4.03 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 72 Q 8.89 4.04 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 73 E 8.12 4.40 0.00 2.24 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 2.34 2.28 0.00 74 N 7.87 5.63 0.00 2.79 2.81 0.00 0.00 6.32 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 75 F 9.31 5.41 0.00 3.00 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 76 S 9.17 5.09 0.00 3.91 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 77 L 7.65 4.45 0.00 0.27 0.13 0.65 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.86 4.88 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 1.16 0.00 0.00 79 L 8.89 4.58 0.00 1.44 1.48 0.75 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.76 3.80 0.00 2.02 1.88 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 2.34 2.34 0.00 81 S 8.05 4.93 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 9.03 4.42 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 83 T 8.58 4.82 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 1.21 0.00 0.00 84 P 0.00 4.56 0.00 2.22 2.11 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 85 S 7.55 4.25 0.00 4.04 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 86 Q 8.23 4.41 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 87 T 7.71 4.24 4.37 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 1.22 0.00 0.00 88 S 8.41 4.54 0.00 3.97 3.43 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 89 V 7.82 4.63 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 0.52 0.00 0.00 0.94 0.00 0.00 90 Y 9.10 5.07 0.00 3.03 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 91 F 9.98 5.65 0.00 3.30 3.24 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 0.00 92 C 9.55 4.99 0.00 1.23 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 5.17 0.12 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 94 S 8.85 5.32 0.00 3.96 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 9.15 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 96 G 8.64 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 97 G 8.25 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 98 G 8.25 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 0.00 0.00 0.00 *105 T 8.56 3.88 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 0.26 0.00 0.00 106 L 7.92 4.62 0.00 1.22 1.19 0.61 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.73 4.81 0.00 2.85 2.84 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 0.00 108 F 9.24 5.08 0.00 2.79 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 0.00 109 G 9.21 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 0.00 110 A 8.74 3.94 1.39 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 0.00 0.00 111 G 8.38 3.77 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 0.00 0.00 0.00 112 T 8.56 4.65 4.38 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 1.25 0.00 0.00 113 R 9.30 4.53 0.00 1.85 2.10 0.00 3.20 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 114 L 9.01 5.26 0.00 1.81 1.73 0.89 0.59 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 0.00 115 S 9.03 5.17 0.00 3.80 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 0.00 116 V 8.37 4.73 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 0.81 0.00 0.00 1.02 0.00 0.00 117 L 9.09 4.65 0.00 1.76 1.64 0.92 0.60 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 0.00 118 S 8.52 5.07 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.