NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0744 8.0549 117.9084 60.3032 33.6714 175.3391 4 I 4.3859 8.0858 122.2634 57.9636 38.7316 174.0461 5 N 5.1408 8.3042 126.2233 51.4175 38.5222 173.5782 6 T 4.7498 7.8168 108.3406 60.7633 72.7022 173.5338 7 F 4.3059 8.5559 121.7826 61.5114 38.9840 177.9872 8 D 4.5855 8.3428 117.6900 57.0200 40.7160 178.9938 9 G 3.6090 8.0989 106.0565 47.7994 0.0000 175.9161 10 V 3.6128 8.5107 121.5058 65.5223 31.6619 177.5655 11 A 4.0785 8.0226 120.5011 55.5882 18.1774 179.3872 12 D 4.2474 7.9999 116.5780 57.7075 40.9719 178.2526 13 Y 4.0814 8.2087 120.0069 60.9089 38.7038 178.3009 14 L 4.0746 8.4444 120.1528 57.8415 41.4657 179.3955 15 Q 3.6476 7.7334 116.9217 58.4369 28.8107 178.3622 16 T 3.5731 7.8987 116.5999 65.8528 68.5625 175.0772 17 Y 4.3718 7.4602 114.8905 57.0172 39.4592 175.6674 18 H 3.4018 8.1628 115.9955 55.6725 26.5997 174.3403 19 K 4.6440 7.6062 115.3591 55.9517 34.7711 174.8608 20 L 4.1128 8.2756 119.7028 53.5278 42.4992 175.3783 21 P 3.4938 0.0000 0.0000 62.1799 31.7548 177.4174 22 D 4.4081 8.2829 119.2865 57.2094 40.8640 177.4511 23 N 4.5117 7.9972 114.8799 53.2932 37.7051 173.4501 24 Y 5.1005 7.4713 116.8164 56.6878 39.9334 175.1302 25 I 4.8912 8.7160 116.0249 59.2875 41.7384 174.8046 26 T 4.4960 8.9773 114.0303 61.1553 70.2118 175.6988 27 K 3.8809 9.0597 122.7524 60.0750 32.1266 179.8091 28 S 4.2166 8.1033 113.6495 61.5765 62.8486 176.1024 29 E 4.0968 8.1422 121.8654 58.6099 29.1521 179.1318 30 A 4.0916 8.5195 121.6655 55.0849 18.4729 179.4855 31 Q 4.3756 8.9041 118.0337 58.7680 28.6944 179.2210 32 A 4.1144 7.9089 119.8971 54.6605 18.4339 178.6281 33 L 4.4407 7.1526 113.7283 54.3837 42.1892 177.2556 34 G 4.0877 7.9005 106.4781 44.8525 0.0000 174.2455 35 W 4.4510 8.7906 131.8824 57.1723 31.2470 174.9317 36 V 3.8379 8.8021 125.3375 60.4808 32.4914 175.3232 37 A 3.4057 7.4512 131.2875 55.3047 18.0717 179.5946 38 S 4.4555 7.8202 109.2886 60.6538 63.0522 175.0839 39 K 4.2960 8.1649 118.6355 55.3190 32.2969 176.2998 40 G 3.1343 7.1157 107.6935 46.2670 0.0000 174.0082 41 N 4.8359 7.8726 112.0708 52.1977 38.2358 176.2612 42 L 4.0316 8.4970 122.7896 59.1863 41.9741 180.0588 43 C 4.3302 8.3311 113.6150 59.9972 40.2771 174.9302 44 D 4.2891 8.1235 118.6861 56.2643 40.5920 177.4816 45 V 4.2176 7.7469 110.1151 62.0040 33.7228 176.4165 46 A 4.7110 8.1892 122.6897 49.7501 19.9410 173.0846 47 P 4.4831 0.0000 0.0000 63.5958 32.0611 178.3223 48 G 3.8872 8.8413 109.1960 45.3614 0.0000 173.3899 49 K 4.5608 7.5510 118.5851 55.7299 33.6013 176.3157 50 S 4.4997 8.4543 117.1937 56.6384 67.8060 173.4484 51 I 4.2342 7.8487 122.7776 60.7195 38.1380 175.4783 52 G 4.3490 8.8752 114.0927 47.3663 0.0000 172.9768 53 G 4.2845 9.6677 111.0212 44.8720 0.0000 174.2483 54 D 4.7739 8.0973 119.7924 53.5524 42.6756 175.8019 55 I 4.2552 8.3168 121.9687 61.5815 37.8348 175.1360 56 F 4.7682 8.9821 129.9903 56.4246 40.0897 175.6399 57 S 3.8877 8.1933 121.1876 59.4413 62.8139 173.2792 58 N 3.8621 6.0710 116.9703 53.6743 37.1893 175.8501 59 R 3.7693 7.9244 116.6188 59.2658 30.2260 177.7191 60 E 4.3403 8.2115 114.8319 55.2580 29.4774 176.4373 61 G 4.5284 7.7623 105.9057 46.3148 0.0000 175.3494 62 K 4.0957 7.5098 119.2183 57.4971 32.3916 177.3921 63 L 3.9599 6.9539 118.0670 51.2920 43.5436 174.4719 64 P 4.1718 0.0000 0.0000 63.1191 31.4338 176.6539 65 G 4.1045 8.2637 112.3463 44.2298 0.0000 172.3754 66 K 4.1960 7.7704 116.9342 55.2982 34.6807 174.1608 67 S 4.3573 8.7376 121.2629 59.7366 63.2710 174.4892 68 G 3.8461 9.0512 113.8410 44.5763 0.0000 172.6005 69 R 4.2648 7.6476 121.0905 55.2823 30.9379 175.5455 70 T 4.6464 8.1060 116.2644 59.6218 71.8622 172.9772 71 W 5.1060 8.6920 123.5536 55.1167 32.1591 175.0365 72 R 5.1464 8.8256 122.0409 54.2383 33.8773 174.1448 73 E 5.4188 9.2386 118.0381 54.8651 33.5717 174.4422 74 A 4.9900 8.7316 121.0518 50.4344 22.9488 175.5227 75 D 4.9327 9.3668 121.9532 54.4457 40.3271 176.0871 76 I 4.4001 8.4151 122.3021 59.9441 40.9258 175.4234 77 N 4.1722 8.7313 120.8897 54.3557 36.5338 173.7881 78 Y 4.2782 7.4132 118.5003 57.4420 38.6800 173.9127 79 T 3.9983 7.1300 117.0852 61.8398 70.6003 175.4030 80 C 4.2568 7.0825 118.2418 56.0049 44.8883 174.9291 81 G 3.7425 8.5863 106.8714 46.1728 0.0000 173.4558 82 F 4.4815 8.6837 120.0456 57.0632 39.8094 175.4561 83 R 4.3799 8.7237 121.9180 56.4991 30.7927 177.1315 84 N 5.0157 8.5342 118.5303 52.3006 39.9032 175.6866 85 S 4.7768 8.6393 116.4577 58.7736 64.4573 172.6293 86 D 5.4532 8.3888 121.4684 53.5998 42.2875 175.8679 87 R 4.8879 9.4411 122.0405 54.4504 35.2278 173.8250 88 I 5.2016 8.8664 121.5376 59.3727 41.0667 174.1466 89 L 5.5853 9.7393 129.1726 53.1528 45.0023 175.0749 90 Y 5.6890 8.8537 121.2997 55.4376 41.7408 175.0613 91 S 4.7186 8.3577 116.7822 55.7548 65.0991 175.3142 92 S 3.4872 7.9256 114.5425 60.0681 62.8416 174.6379 93 D 4.5098 7.1688 119.1837 52.1876 39.3610 175.8055 94 W 3.8515 6.6944 116.8207 58.4168 27.2793 174.4736 95 L 4.6853 7.9935 117.6091 54.0433 42.6579 176.1580 96 I 5.5394 8.7341 122.1332 60.0423 40.6872 174.2373 97 Y 5.2119 10.2059 124.3576 56.0253 42.2304 174.5778 98 K 5.3010 9.4609 120.1218 55.6128 36.6941 174.8903 99 T 4.7648 9.1135 115.5414 60.5336 70.8503 174.0283 100 T 5.0241 8.7086 115.5853 60.1518 69.8633 173.4069 101 D 4.6413 7.6122 121.5454 53.6721 40.3070 174.3512 102 H 3.5603 8.3745 114.1371 58.9714 28.0217 173.6082 103 Y 3.2302 7.1092 110.1738 59.2008 36.1320 172.3790 104 Q 4.1685 7.7945 119.7922 58.4770 29.0100 176.5609 105 T 4.6895 7.9671 105.2776 59.5749 71.8189 172.8894 106 F 5.2482 8.5373 119.7774 56.1725 43.0552 174.3925 107 T 4.6905 8.8855 118.6654 61.2722 71.8947 173.3674 108 K 3.1230 8.5432 128.3259 56.1704 32.2921 176.2286 109 I 4.5052 9.0389 120.0616 60.5022 39.6854 175.8177 110 R 4.1828 7.5952 127.0700 56.7201 31.0906 174.5390 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 V 8.05 4.07 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 8.09 4.39 1.82 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 1.50 1.16 0.95 0.00 0.00 5 N 8.30 5.14 0.00 2.79 2.85 0.00 0.00 5.82 7.22 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 6 T 7.82 4.75 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 1.22 0.00 0.00 7 F 8.56 4.31 0.00 3.14 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 8 D 8.34 4.59 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 9 G 8.10 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 0.00 0.00 0.00 10 V 8.51 3.61 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 0.99 0.00 0.00 1.10 0.00 0.00 11 A 8.02 4.08 1.51 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 12 D 8.00 4.25 0.00 2.99 2.73 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 13 Y 8.21 4.08 0.00 3.24 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 14 L 8.44 4.07 0.00 1.91 1.68 0.56 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.73 3.65 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 16 T 7.90 3.57 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 -0.03 0.00 0.00 17 Y 7.46 4.37 0.00 2.50 2.64 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 18 H 8.16 3.40 0.00 3.22 3.39 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.61 4.64 0.00 1.94 1.87 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.66 7.81 20 L 8.28 4.11 0.00 1.65 1.48 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.49 0.00 2.24 1.22 0.00 3.49 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.51 0.00 22 D 8.28 4.41 0.00 2.59 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 23 N 8.00 4.51 0.00 2.76 2.87 0.00 0.00 6.19 7.57 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 24 Y 7.47 5.10 0.00 3.06 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 25 I 8.72 4.89 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.89 0.00 0.00 26 T 8.98 4.50 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 27 K 9.06 3.88 0.00 1.96 2.18 0.00 1.86 0.00 0.00 1.92 0.00 0.00 3.09 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.63 1.67 7.81 28 S 8.10 4.22 0.00 4.10 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 29 E 8.14 4.10 0.00 2.03 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 2.35 2.35 0.00 30 A 8.52 4.09 1.21 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 0.00 0.00 0.00 31 Q 8.90 4.38 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 32 A 7.91 4.11 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 33 L 7.15 4.44 0.00 2.02 1.76 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.90 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 0.00 0.00 0.00 35 W 8.79 4.45 0.00 3.33 3.17 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 36 V 8.80 3.84 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 0.82 0.00 0.00 0.88 0.00 0.00 37 A 7.45 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.82 4.46 0.00 3.87 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 39 K 8.16 4.30 0.00 1.72 1.78 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.32 7.81 40 G 7.12 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 0.00 0.00 0.00 41 N 7.87 4.84 0.00 3.02 2.99 0.00 0.00 5.71 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 42 L 8.50 4.03 0.00 1.52 1.78 0.52 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.33 4.33 0.00 3.02 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 44 D 8.12 4.29 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.75 4.22 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 0.82 0.00 0.00 1.14 0.00 0.00 46 A 8.19 4.71 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 47 P 0.00 4.48 0.00 2.17 2.12 0.00 3.80 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 1.98 1.97 0.00 48 G 8.84 3.89 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 0.00 0.00 0.00 49 K 7.55 4.56 0.00 1.73 1.60 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.70 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.49 7.81 50 S 8.45 4.50 0.00 2.94 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 4.23 1.79 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.04 0.80 0.00 0.00 52 G 8.88 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 53 G 9.67 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 0.00 0.00 0.00 0.00 54 D 8.10 4.77 0.00 2.69 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 55 I 8.32 4.26 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 1.24 0.73 0.90 0.00 0.00 56 F 8.98 4.77 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 57 S 8.19 3.89 0.00 3.60 3.37 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 58 N 6.07 3.86 0.00 2.81 2.66 0.00 0.00 7.20 7.65 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 59 R 7.92 3.77 0.00 1.97 1.91 0.00 3.36 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.25 0.00 60 E 8.21 4.34 0.00 2.05 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 2.35 2.27 0.00 61 G 7.76 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.51 4.10 0.00 1.79 2.00 0.00 2.09 0.00 0.00 2.08 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.61 7.81 63 L 6.95 3.96 0.00 0.59 0.13 -0.70 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.17 0.00 2.23 2.11 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 65 G 8.26 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 0.00 0.00 0.00 66 K 7.77 4.20 0.00 1.75 1.57 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 1.25 7.81 67 S 8.74 4.36 0.00 4.00 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 68 G 9.05 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 0.00 0.00 0.00 69 R 7.65 4.26 0.00 1.70 1.88 0.00 3.34 0.00 0.00 2.59 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.12 0.00 70 T 8.11 4.65 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 1.13 0.00 0.00 71 W 8.69 5.11 0.00 3.49 3.10 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 72 R 8.83 5.15 0.00 0.67 1.23 0.00 3.13 0.00 0.00 3.49 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.35 0.00 73 E 9.24 5.42 0.00 2.08 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 2.44 2.35 0.00 74 A 8.73 4.99 0.98 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 75 D 9.37 4.93 0.00 2.67 2.64 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 76 I 8.42 4.40 1.20 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 1.13 0.84 -0.28 0.00 0.00 77 N 8.73 4.17 0.00 2.78 2.85 0.00 0.00 6.92 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.41 4.28 0.00 2.85 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 79 T 7.13 4.00 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 1.09 0.00 0.00 80 C 7.08 4.26 0.00 2.78 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 81 G 8.59 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 4.48 0.00 3.16 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 83 R 8.72 4.38 0.00 1.99 1.96 0.00 3.28 0.00 0.00 3.53 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 84 N 8.53 5.02 0.00 2.87 2.97 0.00 0.00 5.92 7.64 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 85 S 8.64 4.78 0.00 3.99 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 0.00 86 D 8.39 5.45 0.00 2.90 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 87 R 9.44 4.89 0.00 1.46 1.74 0.00 3.41 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.81 0.00 88 I 8.87 5.20 2.13 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 1.50 1.97 1.06 0.00 0.00 89 L 9.74 5.59 0.00 1.68 1.52 1.08 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.85 5.69 0.00 3.15 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 91 S 8.36 4.72 0.00 3.01 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 92 S 7.93 3.49 0.00 3.68 3.70 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 93 D 7.17 4.51 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.69 3.85 0.00 3.56 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 4.69 0.00 1.84 1.98 1.15 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.73 5.54 2.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 1.18 0.00 0.00 97 Y 10.21 5.21 0.00 2.89 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 98 K 9.46 5.30 0.00 1.23 1.64 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.11 1.01 7.81 99 T 9.11 4.76 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 0.96 0.00 0.00 100 T 8.71 5.02 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 0.00 101 D 7.61 4.64 0.00 2.75 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 0.00 102 H 8.37 3.56 0.00 3.34 3.45 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.11 3.23 0.00 3.25 3.26 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 0.00 104 Q 7.79 4.17 0.00 2.59 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 105 T 7.97 4.69 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 1.18 0.00 0.00 106 F 8.54 5.25 0.00 2.93 3.07 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 0.00 107 T 8.89 4.69 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 1.14 0.00 0.00 108 K 8.54 3.12 0.00 1.18 1.44 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.09 0.66 7.81 109 I 9.04 4.51 1.83 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 1.21 0.88 0.82 0.00 0.00 110 R 7.60 4.18 0.00 1.90 1.96 0.00 3.51 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.