NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 F 4.6370 8.3243 115.8528 56.4000 39.0054 177.0198 *-1 L 4.2415 8.4766 118.1394 54.4586 43.3417 175.9880 -3 E 4.3670 8.4443 115.7528 55.3000 29.3053 177.8198 *2 E 4.1755 8.5866 127.1027 57.2603 31.0490 174.1685 3 I 4.9920 8.4553 127.2796 59.7931 39.2565 174.8048 4 K 4.5423 9.2314 128.6175 54.5010 34.2331 175.0909 5 I 4.3960 8.5410 129.6372 61.8080 36.9436 175.9714 6 T 4.4325 8.8654 118.0403 63.2415 70.4676 175.0056 7 E 4.8168 7.8700 120.0509 55.0849 33.1501 174.2138 8 V 5.0362 8.5894 125.7527 61.0846 34.6138 174.3833 9 K 4.6937 9.3183 127.1699 54.6384 35.1367 175.0992 10 E 4.6479 8.9101 124.6767 55.5658 30.3748 175.8375 11 N 4.6624 9.4664 126.2044 52.0732 39.0620 175.8352 12 K 4.1211 8.7161 127.1016 59.2302 32.6814 179.0824 13 L 4.1855 8.0797 117.9272 57.3105 41.8181 177.9838 14 I 4.0297 8.6107 118.5980 61.2849 38.2836 175.6906 15 G 3.8713 9.7490 107.9067 45.1279 0.0000 172.3152 16 R 4.3492 7.2720 112.9554 54.5840 33.5525 175.2126 17 K 4.8165 8.6637 120.2041 55.4549 34.3769 175.6899 18 E 4.9725 9.2852 124.2945 54.8686 31.9356 175.0699 19 I 5.0830 8.8176 126.4632 59.7281 40.4172 174.3346 20 Y 5.2933 9.3289 125.7724 56.4260 40.4512 174.9649 21 F 5.5181 8.4969 117.0272 55.9736 42.1859 172.6887 22 E 5.1417 9.7242 119.7007 55.0756 32.0445 175.0834 23 I 5.0435 8.9024 124.4905 59.8418 39.9815 173.7806 24 Y 5.3028 9.1706 129.7745 55.9883 39.7853 175.7289 25 H 4.8251 8.7497 123.4847 52.6158 28.2891 170.9946 26 P 3.1622 0.0000 0.0000 64.3732 31.9130 176.9702 27 G 3.7325 6.3389 107.8186 45.9886 0.0000 172.6396 28 E 4.7523 7.3335 116.5526 53.3680 33.5899 173.5682 29 P 4.6274 0.0000 0.0000 62.1513 32.3047 175.9566 30 T 3.4564 8.2728 113.5244 61.6635 67.4989 171.9032 31 P 4.5794 0.0000 0.0000 61.7391 32.7244 176.5104 32 S 4.3589 8.2796 113.9433 58.2831 64.8588 175.3667 33 R 3.9451 8.4992 121.8055 59.2807 29.9278 179.0023 34 K 3.8458 8.0975 118.8983 59.9412 32.2396 178.3652 35 D 4.3919 8.1054 118.8360 57.0190 40.7653 178.9845 36 V 3.5820 7.9418 118.9035 65.8585 31.5454 177.7647 37 K 3.8729 8.5020 119.9845 59.5849 31.9523 178.7575 38 G 3.5947 7.9628 105.4794 47.8571 0.0000 175.8538 39 K 3.9793 7.6745 119.7124 58.8353 32.1226 179.0008 40 L 3.8445 7.5494 119.6092 58.0311 42.2142 178.8258 41 V 3.6401 7.8344 118.0465 65.8083 31.4117 178.0897 42 A 4.2151 7.7201 116.1598 53.1340 17.6756 178.5921 *44 L 4.0707 7.7174 118.1623 54.4384 43.9302 175.9264 45 D 4.2820 7.4340 115.5028 55.3548 39.4902 172.8135 46 L 4.4206 7.6910 118.4682 52.4574 44.5308 176.7258 47 N 4.5329 8.4927 120.8397 52.8289 39.1897 174.4896 48 P 4.3868 0.0000 0.0000 65.4597 31.7221 178.2281 49 E 4.1012 8.8386 118.7661 58.6997 29.6263 177.2393 50 T 4.6660 7.9153 109.1599 61.4975 70.2658 173.1470 51 T 5.0717 7.8716 119.0024 62.7232 70.6423 174.3589 52 V 4.2303 8.9490 126.8075 60.7188 33.9502 174.3957 53 I 3.9494 7.8464 129.4967 61.7295 36.9685 176.0228 54 Q 4.3026 8.8879 129.6618 58.2491 29.6368 174.9529 55 Y 5.0187 7.0491 114.6002 56.0504 41.8132 173.5807 56 I 4.9770 8.3513 119.9104 59.9967 40.6768 174.9818 57 R 4.3966 9.4326 127.4538 55.1023 31.7650 176.1523 58 S 5.0821 8.1129 117.8525 56.8907 67.2725 173.0532 59 Y 4.4612 8.0518 117.0987 56.2671 41.3319 176.7694 60 F 4.3466 8.8697 123.8340 60.5173 39.1769 176.4621 61 G 3.9226 8.2048 106.8396 46.2033 0.0000 172.7943 62 S 4.5137 7.7710 112.9522 57.7228 66.1886 173.2641 63 Y 4.6732 8.5697 116.4021 57.9496 38.8229 174.7757 64 K 5.3100 7.9124 119.4818 54.9681 34.1889 175.9590 65 S 5.3004 9.5268 120.1012 56.7526 67.3398 173.1128 66 K 4.9677 9.6117 120.5443 54.8099 35.5683 176.0009 67 G 3.8613 8.7600 111.6580 44.1261 0.0000 170.8249 68 Y 5.0956 8.1060 120.8614 55.3946 41.9142 174.0646 69 A 4.8415 9.0464 127.4283 49.9594 23.3211 174.5262 70 K 4.7278 8.7683 119.4863 54.5878 35.3428 174.6377 71 Y 5.0074 8.8067 125.8710 56.0177 41.0683 173.7404 72 Y 4.3335 7.9064 125.0083 56.6964 38.3943 175.8507 73 Y 4.2112 7.9348 123.0395 60.0034 38.6979 176.1233 74 D 4.8965 7.8982 118.9830 51.7368 43.8287 175.7115 75 K 3.8978 9.0150 127.9293 59.7898 32.6186 177.5262 76 D 4.4484 8.2896 118.0972 57.2162 41.0924 179.1798 77 R 4.1582 7.8187 117.1916 56.5253 29.2925 178.0973 *79 L 4.1207 7.9765 117.8410 54.4214 43.4907 178.1342 80 Y 4.1888 7.8090 115.1283 60.4241 38.1656 177.0105 81 I 4.1566 7.4949 119.0638 63.1157 38.0466 176.2054 82 E 4.1948 7.6558 118.7140 54.7618 30.3658 175.4243 83 P 4.3534 0.0000 0.0000 62.6549 33.1972 177.3728 84 E 3.9628 8.9288 121.4831 59.7728 29.4046 179.3500 85 Y 4.2255 8.0700 117.3112 60.1241 37.5354 178.4503 86 I 3.4101 6.6438 121.0453 63.9029 37.2502 178.1774 87 L 3.9287 7.5312 119.3635 57.8479 41.3283 179.4388 88 I 3.7866 8.2261 120.2407 64.3272 36.9057 178.3560 89 R 3.8452 7.6707 119.6401 59.2166 30.0649 176.7341 90 D 4.6846 7.6161 114.3886 53.6999 40.8966 177.3732 91 G 3.8988 8.4886 107.5847 45.6254 0.0000 174.3529 92 I 3.9407 7.5465 122.6805 61.0114 38.2512 176.7465 *93 I 3.9715 8.0700 118.4314 60.3346 36.0004 176.1860 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 -3 F 8.32 4.64 0.00 3.20 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 4.24 0.00 1.61 1.60 0.78 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 -3 E 8.44 4.37 0.00 2.12 1.40 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 2.17 2.28 0.00 *2 E 8.59 4.18 0.00 2.18 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 0.00 2.39 2.43 0.00 3 I 8.46 4.99 1.86 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 0.92 0.00 0.00 4 K 9.23 4.54 0.00 1.82 1.75 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.42 7.81 5 I 8.54 4.40 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 0.98 0.00 0.00 6 T 8.87 4.43 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 1.34 0.00 0.00 7 E 7.87 4.82 0.00 2.08 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 0.00 2.37 2.32 0.00 8 V 8.59 5.04 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 0.92 0.00 0.00 0.97 0.00 0.00 9 K 9.32 4.69 0.00 1.75 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.60 7.81 10 E 8.91 4.65 0.00 1.91 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 2.35 2.31 0.00 11 N 9.47 4.66 0.00 2.83 2.83 0.00 0.00 6.85 7.10 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 12 K 8.72 4.12 0.00 1.81 1.87 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.42 7.81 13 L 8.08 4.19 0.00 1.78 1.75 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.61 4.03 2.01 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 1.29 0.56 1.01 0.00 0.00 15 G 9.75 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 0.00 0.00 0.00 16 R 7.27 4.35 0.00 1.04 0.98 0.00 2.41 0.00 0.00 2.93 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 17 K 8.66 4.82 0.00 1.63 1.74 0.00 1.45 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.64 1.26 7.81 18 E 9.29 4.97 0.00 2.08 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 2.39 2.26 0.00 19 I 8.82 5.08 1.87 0.00 0.00 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 1.21 0.78 0.98 0.00 0.00 20 Y 9.33 5.29 0.00 2.93 2.89 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 0.00 0.00 0.00 0.00 21 F 8.50 5.52 0.00 3.33 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 22 E 9.72 5.14 0.00 1.98 1.98 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 2.30 2.33 0.00 23 I 8.90 5.04 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 1.09 0.00 0.00 24 Y 9.17 5.30 0.00 2.87 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 25 H 8.75 4.83 0.00 3.22 3.40 0.00 5.33 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 3.16 0.00 1.80 1.38 0.00 3.70 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 27 G 6.34 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 0.00 0.00 0.00 28 E 7.33 4.75 0.00 2.01 1.81 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 2.33 2.32 0.00 29 P 0.00 4.63 0.00 2.21 2.13 0.00 3.82 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 2.01 1.98 0.00 30 T 8.27 3.46 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 1.19 0.00 0.00 31 P 0.00 4.58 0.00 2.24 2.05 0.00 3.74 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 32 S 8.28 4.36 0.00 4.08 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 33 R 8.50 3.95 0.00 1.89 2.04 0.00 3.19 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 34 K 8.10 3.85 0.00 1.82 1.82 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.54 7.81 35 D 8.11 4.39 0.00 2.77 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 36 V 7.94 3.58 2.32 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 1.17 0.00 0.00 1.04 0.00 0.00 37 K 8.50 3.87 0.00 1.90 1.98 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 G 7.96 3.59 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 0.00 0.00 0.00 39 K 7.67 3.98 0.00 1.88 1.83 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.47 7.81 40 L 7.55 3.84 0.00 1.32 1.70 0.23 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.83 3.64 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 1.03 0.00 0.00 0.93 0.00 0.00 42 A 7.72 4.22 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 *44 L 7.72 4.07 0.00 1.59 1.59 0.77 1.00 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 45 D 7.43 4.28 0.00 2.80 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 46 L 7.69 4.42 0.00 1.44 1.08 0.62 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.49 4.53 0.00 2.85 2.92 0.00 0.00 7.13 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 48 P 0.00 4.39 0.00 2.26 2.29 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 49 E 8.84 4.10 0.00 2.06 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 0.00 2.34 2.34 0.00 50 T 7.92 4.67 4.13 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 1.14 0.00 0.00 51 T 7.87 5.07 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 1.19 0.00 0.00 52 V 8.95 4.23 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 0.78 0.00 0.00 0.90 0.00 0.00 53 I 7.85 3.95 2.01 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 1.16 0.63 0.93 0.00 0.00 54 Q 8.89 4.30 0.00 1.55 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.66 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 55 Y 7.05 5.02 0.00 3.06 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 56 I 8.35 4.98 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.97 0.00 0.00 57 R 9.43 4.40 0.00 1.65 1.47 0.00 2.99 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 58 S 8.11 5.08 0.00 3.49 3.66 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 59 Y 8.05 4.46 0.00 2.91 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 60 F 8.87 4.35 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.20 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 62 S 7.77 4.51 0.00 4.01 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 63 Y 8.57 4.67 0.00 3.05 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 64 K 7.91 5.31 0.00 1.64 1.80 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.38 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.69 1.54 7.81 65 S 9.53 5.30 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 66 K 9.61 4.97 0.00 1.82 1.78 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.53 7.81 67 G 8.76 3.86 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 0.00 0.00 0.00 68 Y 8.11 5.10 0.00 2.13 1.43 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 69 A 9.05 4.84 1.15 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 0.00 0.00 0.00 70 K 8.77 4.73 0.00 1.52 1.32 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.43 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.15 0.74 7.81 71 Y 8.81 5.01 0.00 2.83 2.56 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 72 Y 7.91 4.33 0.00 2.66 2.89 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 0.00 0.00 0.00 0.00 73 Y 7.93 4.21 0.00 2.98 2.98 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 74 D 7.90 4.90 0.00 2.70 2.55 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 0.00 0.00 0.00 0.00 75 K 9.02 3.90 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 76 D 8.29 4.45 0.00 3.00 2.85 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 77 R 7.82 4.16 0.00 2.06 2.20 0.00 3.39 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 *79 L 7.98 4.12 0.00 1.59 1.48 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.81 4.19 0.00 3.14 2.96 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 81 I 7.49 4.16 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.97 1.04 0.00 0.00 82 E 7.66 4.19 0.00 1.73 1.72 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 1.93 2.02 0.00 83 P 0.00 4.35 0.00 1.92 2.16 0.00 3.50 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 84 E 8.93 3.96 0.00 2.08 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 2.38 2.39 0.00 85 Y 8.07 4.23 0.00 3.22 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 86 I 6.64 3.41 1.65 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.36 0.73 0.00 0.00 87 L 7.53 3.93 0.00 1.74 1.62 0.76 0.66 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 88 I 8.23 3.79 1.89 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 1.62 0.96 0.92 0.00 0.00 89 R 7.67 3.85 0.00 2.02 2.15 0.00 3.30 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 90 D 7.62 4.68 0.00 2.72 2.61 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 91 G 8.49 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 0.00 0.00 0.00 92 I 7.55 3.94 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 1.11 0.79 0.84 0.00 0.00 *93 I 8.07 3.97 1.87 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 1.27 0.49 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.