NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4562 8.3344 116.7959 58.0277 64.3229 172.8533 -1 N 4.0912 8.0706 122.8676 56.4072 39.5426 175.0984 0 A 3.6777 8.1174 116.5819 53.4015 19.3123 178.0442 0 R 3.6977 8.1074 113.2819 56.9015 31.1123 176.5442 3 G 3.6166 8.1205 104.4429 48.2369 0.0000 175.2257 4 Y 4.3212 7.5296 119.0361 60.7723 37.8832 177.7781 5 Y 4.0246 8.2371 120.0095 60.9158 39.0174 177.6960 6 D 4.6091 8.2665 120.6218 56.9317 40.8988 178.4673 7 E 4.0627 8.3067 119.0795 59.4431 29.4432 179.5180 8 I 3.6298 7.6652 119.9025 64.3164 36.8400 178.5503 9 S 4.1027 8.1890 115.4724 61.4216 62.6863 176.3456 10 F 4.1682 8.3383 124.2017 61.2185 39.1242 176.9343 11 D 4.3280 8.4041 120.0149 56.6476 40.5891 178.8901 12 V 3.4742 8.1439 119.3409 65.8922 31.5790 177.7113 13 N 4.2563 7.7774 117.0948 56.7851 38.5409 177.0830 14 T 3.6885 7.5544 111.2536 65.0523 68.5166 176.7009 15 T 3.8437 7.8114 117.6781 66.0469 68.4971 176.1633 16 A 4.1252 7.7524 121.8585 55.1837 18.6902 179.5207 17 K 4.1384 7.8867 116.6424 59.3521 32.1223 180.6314 18 K 4.0092 7.8715 118.1798 56.7203 31.7300 178.7464 *20 H 4.7410 8.1826 120.3307 56.3172 31.5881 175.0337 21 L 3.9914 7.9434 117.9150 57.8380 41.8372 178.4590 22 F 4.3114 8.6957 120.7732 61.4079 38.8611 178.5017 23 L 4.0701 7.4752 118.7896 55.0848 40.8926 179.2905 *25 R 4.3291 8.1005 120.3952 56.1850 31.9289 178.2054 26 S 4.0021 7.4582 112.0791 60.1964 63.2116 175.0174 27 I 4.4166 7.0206 109.6673 60.2505 37.5177 177.0117 28 A 3.9965 7.6842 126.0387 55.7957 18.1089 179.5596 29 S 4.3395 7.9238 108.8515 59.5092 63.4237 174.0121 30 Y 4.2491 7.6571 118.4617 56.8187 38.6724 175.2527 31 D 4.3965 8.6734 121.4170 57.1347 41.6147 177.2037 32 V 3.9585 7.7309 119.3814 62.6557 32.0727 176.2177 33 T 4.3259 8.8122 118.3709 60.4867 71.0372 173.7557 34 P 4.4099 0.0000 0.0000 66.0934 31.2485 178.8137 35 E 4.0976 8.2317 115.6574 59.5221 29.5517 179.0068 36 Q 4.0498 7.9747 118.4082 58.3759 28.7645 178.4136 37 W 4.4227 8.7339 129.9885 60.5665 30.8736 178.0075 38 S 3.8931 8.2385 115.1774 61.6953 62.2273 177.1097 39 V 3.5378 7.5177 120.6485 65.8659 31.3071 177.8517 40 L 3.8819 8.0547 119.0698 57.8942 41.5328 179.0482 41 E 3.4884 7.9234 119.4019 59.1104 28.8853 179.1654 42 G 3.0972 7.6904 105.2608 47.5308 0.0000 175.7487 43 I 3.5272 7.7311 122.5631 64.0117 36.9265 177.9647 44 E 3.8160 8.1055 118.8663 59.4008 29.5081 178.5587 45 A 4.0709 7.6669 118.8281 53.8713 18.5077 177.4864 46 N 4.7078 7.0085 110.4135 52.0071 40.5987 174.5636 47 E 4.1428 7.8511 117.3662 55.8831 30.1672 175.3501 48 P 4.7259 0.0000 0.0000 62.0673 32.4946 175.5354 49 I 4.7318 8.5486 123.1405 59.0056 41.8559 174.9541 50 S 4.8246 8.4932 121.6832 57.2060 64.0795 174.9405 51 Q 3.9536 8.6197 122.4701 59.0486 28.5611 178.4306 52 K 3.8660 8.0432 120.3076 59.8337 32.2286 178.5347 53 E 4.0552 8.1755 118.3825 59.1978 29.2211 179.4434 54 I 3.7394 7.9160 120.1128 64.0124 37.0465 177.9927 55 A 4.0276 7.8292 121.5132 55.3400 18.0019 179.6642 56 L 3.9336 7.4314 115.7570 57.6986 41.8034 179.2278 57 W 4.1902 8.2932 127.3448 60.4573 30.7971 177.4248 58 T 4.2266 8.3735 107.2575 60.9140 69.4127 174.3816 59 K 3.8480 8.0860 120.2920 57.9620 29.8944 175.0979 60 K 4.6804 7.7938 115.7844 54.2578 35.5197 176.8001 61 D 4.6975 8.2474 120.8815 52.8069 41.8082 177.3546 62 T 3.8727 8.4632 116.6600 66.8238 68.4481 174.7195 63 P 4.2658 0.0000 0.0000 65.8718 31.3801 178.8864 64 T 3.8750 8.4922 114.7290 66.6199 68.4160 176.9770 65 V 3.6003 7.9892 120.2427 66.0358 31.5801 177.5824 66 N 4.3028 8.4798 116.6571 56.3977 38.5113 177.2954 67 R 3.8739 8.0542 119.7410 59.5848 30.1870 178.6994 68 I 3.7412 7.8602 119.5794 64.2986 37.0169 178.4377 69 V 3.5753 8.2582 119.5185 66.2651 31.3009 177.7044 70 D 4.3474 8.1511 118.4410 57.4454 40.5715 179.0680 71 V 3.6188 7.7058 118.1632 66.0557 31.5277 178.1654 72 L 4.0201 8.2137 118.8665 57.5444 41.4115 179.5156 73 L 3.9748 8.2364 119.4390 57.8549 41.3756 179.5176 74 R 3.9565 7.8285 117.3941 59.1568 30.1266 177.9494 75 K 4.2035 8.2067 115.6436 56.0498 32.2729 176.5450 76 E 3.8922 7.9359 117.8267 57.6056 27.6546 175.2600 77 L 4.6519 8.0876 119.7998 55.4577 43.5218 176.6550 78 I 5.2168 7.6788 110.4070 58.9783 41.3415 174.8657 79 V 4.5261 8.9431 121.6516 59.8264 34.7973 174.4465 80 R 4.9626 8.6438 122.9963 54.8714 31.7238 174.4635 81 E 4.7970 9.0182 125.2758 54.3220 34.2960 176.3782 82 I 3.8414 8.0118 121.4367 61.1592 39.5706 173.6695 *87 R 4.1698 8.1027 119.7195 56.6966 31.3932 175.4616 88 R 4.5481 8.3085 114.0909 55.5977 29.2471 173.8838 89 I 4.5747 7.2978 111.9110 58.7524 41.0077 175.1615 90 S 4.9236 8.3705 114.3937 56.7165 64.9186 172.9694 91 L 4.9517 8.9439 125.1355 52.8572 44.3465 175.3361 92 L 5.1938 8.8192 122.8077 53.4624 44.4614 175.7796 93 S 4.9458 8.6443 117.4543 56.9611 68.0908 173.1990 94 L 4.6985 9.1232 122.0612 54.7566 42.4481 177.4980 95 T 4.2651 8.4679 112.9824 60.9640 70.5581 175.3392 96 D 4.3810 8.8698 121.1797 57.6150 40.5977 179.2204 97 K 4.0410 8.0837 119.5126 59.3904 32.2123 178.8612 98 G 3.6395 8.3050 106.1921 47.8372 0.0000 175.6139 99 R 3.8947 8.4228 121.6590 58.8476 30.1068 178.4248 100 K 3.9139 8.2259 119.4950 59.7862 32.1765 178.6788 101 E 4.0165 8.4848 119.0273 59.6977 29.3824 179.5382 102 T 4.1780 8.3549 116.1632 66.8847 68.5247 176.8868 103 T 3.8872 8.0864 117.7092 66.5448 68.5949 176.1907 104 E 3.8604 8.1241 121.0890 59.3056 29.5926 178.9051 105 L 3.3275 7.8588 119.0627 57.6144 41.4623 179.6106 106 R 4.0602 8.3967 118.3281 59.5408 30.0408 178.8760 107 D 4.3496 8.1300 118.5142 57.2969 40.8046 178.9535 108 I 3.6110 7.4010 119.7926 64.3205 37.0443 178.6110 109 V 3.5057 7.7506 119.2898 65.9440 31.3321 177.5863 110 E 3.9711 8.5717 119.1555 59.2855 29.4665 178.6743 111 A 4.0382 8.1351 120.7626 55.3629 18.2283 179.8489 112 S 4.2214 7.9590 112.6979 61.7709 62.9257 176.0614 113 C 4.4282 8.3954 121.0703 62.6352 31.3911 175.1219 114 E 4.3157 8.2632 119.1490 59.2683 29.3782 180.3911 115 K 4.2285 7.8260 116.4867 56.6528 31.9859 178.3107 *117 F 4.6308 7.9529 115.7260 56.5773 40.5989 174.5945 118 A 4.0559 7.5469 124.0269 54.1372 18.2163 178.9048 119 G 3.9413 9.0125 110.8714 45.3717 0.0000 173.0826 120 V 4.3191 7.8809 120.1001 61.1661 32.8488 174.9942 121 T 4.6686 8.5690 116.5404 59.4268 71.4998 175.1112 122 R 3.8428 8.6248 122.3138 60.1866 29.9017 178.6655 123 T 3.8718 7.9480 114.7233 66.9436 68.1495 175.8186 124 D 4.4219 7.9105 120.4813 57.5303 40.8501 179.1072 125 L 4.2466 7.7147 118.8689 57.8315 41.7819 179.3334 126 E 4.0771 8.4214 118.4435 59.3215 29.1395 179.4597 127 Q 4.0429 8.1733 118.5369 58.8435 28.7679 178.3961 128 F 4.3026 7.9219 122.0065 61.3671 39.4480 177.3792 129 T 3.7952 8.1851 115.3225 66.6105 68.1146 176.2706 130 A 3.9637 7.9912 122.5809 55.1471 18.3744 179.7458 131 I 3.5815 7.2808 118.3371 64.4661 37.0544 178.6815 132 L 3.8688 7.5406 119.7987 57.5449 41.3133 179.4307 133 K 3.8702 8.1210 119.6353 59.3889 32.0031 178.4253 134 N 4.2714 8.3096 116.9179 56.4645 38.4069 177.2895 135 I 3.6289 7.7637 120.7920 64.6434 37.0287 178.4913 136 S 4.1059 7.9925 114.6546 62.0698 62.7172 176.8223 137 T 3.9943 7.9680 117.3985 66.8465 68.3277 176.0573 138 N 4.4169 8.1311 117.0628 54.7374 38.7642 175.3974 139 I 4.3494 6.9248 120.7412 59.8378 38.5461 175.5871 140 E 4.2212 8.4625 123.5735 56.8367 30.3776 174.9297 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 8.33 4.46 0.00 3.89 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 -1 N 8.07 4.09 0.00 2.86 2.81 0.00 0.00 6.93 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.12 3.68 1.29 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 R 8.11 3.70 0.00 1.62 1.71 0.00 2.21 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 3 G 8.12 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 0.00 0.00 0.00 4 Y 7.53 4.32 0.00 3.12 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 5 Y 8.24 4.02 0.00 3.23 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 6 D 8.27 4.61 0.00 2.95 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 7 E 8.31 4.06 0.00 2.28 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 2.34 2.48 0.00 8 I 7.67 3.63 1.80 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 1.40 0.52 0.66 0.00 0.00 9 S 8.19 4.10 0.00 4.10 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 0.00 10 F 8.34 4.17 0.00 3.18 3.27 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 11 D 8.40 4.33 0.00 2.87 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 12 V 8.14 3.47 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 0.98 0.00 0.00 0.92 0.00 0.00 13 N 7.78 4.26 0.00 2.77 2.73 0.00 0.00 6.98 7.11 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 14 T 7.55 3.69 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 0.18 0.00 0.00 15 T 7.81 3.84 4.17 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 1.09 0.00 0.00 16 A 7.75 4.13 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 17 K 7.89 4.14 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.61 7.81 18 K 7.87 4.01 0.00 1.86 1.77 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.54 7.81 *20 H 8.18 4.74 0.00 3.27 3.54 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.94 3.99 0.00 1.90 1.76 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.70 4.31 0.00 3.13 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 23 L 7.48 4.07 0.00 1.81 1.70 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *25 R 8.10 4.33 0.00 1.88 1.90 0.00 3.11 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 26 S 7.46 4.00 0.00 3.71 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 27 I 7.02 4.42 1.51 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.60 0.38 0.00 0.00 28 A 7.68 4.00 1.32 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 29 S 7.92 4.34 0.00 3.60 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 30 Y 7.66 4.25 0.00 3.05 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 31 D 8.67 4.40 0.00 2.63 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 32 V 7.73 3.96 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 1.05 0.00 0.00 1.05 0.00 0.00 33 T 8.81 4.33 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 1.29 0.00 0.00 34 P 0.00 4.41 0.00 2.25 2.24 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 35 E 8.23 4.10 0.00 2.24 2.26 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 2.41 2.45 0.00 36 Q 7.97 4.05 0.00 2.42 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 37 W 8.73 4.42 0.00 3.33 3.31 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 0.00 38 S 8.24 3.89 0.00 4.10 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 39 V 7.52 3.54 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 1.10 0.00 0.00 0.94 0.00 0.00 40 L 8.05 3.88 0.00 1.99 1.69 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.92 3.49 0.00 1.16 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 2.14 2.02 0.00 42 G 7.69 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 0.00 0.00 0.00 43 I 7.73 3.53 1.89 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 1.30 0.93 0.82 0.00 0.00 44 E 8.11 3.82 0.00 1.93 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 2.29 2.48 0.00 45 A 7.67 4.07 1.06 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 0.00 0.00 46 N 7.01 4.71 0.00 2.40 2.52 0.00 0.00 6.99 7.54 0.00 0.00 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 E 7.85 4.14 0.00 1.92 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 0.00 2.48 2.23 0.00 48 P 0.00 4.73 0.00 1.92 1.98 0.00 3.63 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 49 I 8.55 4.73 1.89 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.01 0.83 0.00 0.00 50 S 8.49 4.82 0.00 4.03 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 51 Q 8.62 3.95 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 52 K 8.04 3.87 0.00 1.86 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.55 7.81 53 E 8.18 4.06 0.00 2.17 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 2.34 2.50 0.00 54 I 7.92 3.74 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 0.92 0.00 0.00 55 A 7.83 4.03 1.42 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 0.00 0.00 56 L 7.43 3.93 0.00 1.82 1.81 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 W 8.29 4.19 0.00 3.50 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 58 T 8.37 4.23 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 1.40 0.00 0.00 59 K 8.09 3.85 0.00 1.89 1.91 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.50 7.81 60 K 7.79 4.68 0.00 1.72 1.70 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.55 7.81 61 D 8.25 4.70 0.00 2.95 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 62 T 8.46 3.87 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 63 P 0.00 4.27 0.00 2.16 2.11 0.00 3.74 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 2.12 2.18 0.00 64 T 8.49 3.87 4.42 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 1.23 0.00 0.00 65 V 7.99 3.60 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 0.98 0.00 0.00 0.99 0.00 0.00 66 N 8.48 4.30 0.00 2.91 2.87 0.00 0.00 6.69 7.31 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 67 R 8.05 3.87 0.00 1.90 2.12 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 68 I 7.86 3.74 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.94 0.00 0.00 69 V 8.26 3.58 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 1.11 0.00 0.00 0.98 0.00 0.00 70 D 8.15 4.35 0.00 2.92 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 71 V 7.71 3.62 2.23 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 1.14 0.00 0.00 0.98 0.00 0.00 72 L 8.21 4.02 0.00 1.86 1.71 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.24 3.97 0.00 1.85 1.72 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.83 3.96 0.00 1.98 2.07 0.00 3.26 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 75 K 8.21 4.20 0.00 1.78 1.86 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.68 7.81 76 E 7.94 3.89 0.00 2.14 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 2.25 2.39 0.00 77 L 8.09 4.65 0.00 1.62 1.73 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.68 5.22 1.95 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 1.45 0.65 0.90 0.00 0.00 79 V 8.94 4.53 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 0.73 0.00 0.00 1.00 0.00 0.00 80 R 8.64 4.96 0.00 1.80 1.84 0.00 3.17 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 81 E 9.02 4.80 0.00 1.89 1.75 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 2.20 2.21 0.00 82 I 8.01 3.84 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 1.34 0.61 0.90 0.00 0.00 *87 R 8.10 4.17 0.00 1.86 1.94 0.00 3.22 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 88 R 8.31 4.55 0.00 1.76 1.86 0.00 3.14 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 89 I 7.30 4.57 1.87 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 1.46 0.66 0.91 0.00 0.00 90 S 8.37 4.92 0.00 3.89 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 91 L 8.94 4.95 0.00 1.55 1.56 0.90 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.82 5.19 0.00 1.47 1.51 0.89 0.76 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 93 S 8.64 4.95 0.00 3.71 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 94 L 9.12 4.70 0.00 1.47 1.58 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.47 4.27 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 1.23 0.00 0.00 96 D 8.87 4.38 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 97 K 8.08 4.04 0.00 1.83 1.97 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.52 7.81 98 G 8.31 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 0.00 0.00 0.00 99 R 8.42 3.89 0.00 1.98 2.08 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 100 K 8.23 3.91 0.00 1.94 1.99 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.50 7.81 101 E 8.48 4.02 0.00 2.09 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 2.36 2.56 0.00 102 T 8.35 4.18 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 1.40 0.00 0.00 103 T 8.09 3.89 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 104 E 8.12 3.86 0.00 2.14 2.03 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 2.19 2.35 0.00 105 L 7.86 3.33 0.00 1.01 0.29 0.77 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.40 4.06 0.00 2.11 2.10 0.00 3.24 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 107 D 8.13 4.35 0.00 2.81 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 0.00 108 I 7.40 3.61 1.66 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.80 0.00 0.00 109 V 7.75 3.51 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 1.19 0.00 0.00 0.64 0.00 0.00 110 E 8.57 3.97 0.00 2.24 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 0.00 2.34 2.38 0.00 111 A 8.14 4.04 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 0.00 0.00 0.00 0.00 0.00 112 S 7.96 4.22 0.00 3.95 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 0.00 113 C 8.40 4.43 0.00 3.21 3.27 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 0.00 114 E 8.26 4.32 0.00 2.24 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 0.00 2.41 2.59 0.00 115 K 7.83 4.23 0.00 2.18 1.91 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.77 7.81 *117 F 7.95 4.63 0.00 3.15 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 0.00 118 A 7.55 4.06 1.32 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 0.00 119 G 9.01 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 0.00 0.00 0.00 120 V 7.88 4.32 2.43 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 0.95 0.00 0.00 0.99 0.00 0.00 121 T 8.57 4.67 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 1.22 0.00 0.00 122 R 8.62 3.84 0.00 1.85 1.96 0.00 3.17 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 123 T 7.95 3.87 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 124 D 7.91 4.42 0.00 2.87 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 0.00 125 L 7.71 4.25 0.00 1.85 1.75 0.89 0.90 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 0.00 126 E 8.42 4.08 0.00 2.03 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 2.33 2.56 0.00 127 Q 8.17 4.04 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 128 F 7.92 4.30 0.00 3.20 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 0.00 129 T 8.19 3.80 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 1.20 0.00 0.00 130 A 7.99 3.96 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 0.00 131 I 7.28 3.58 1.64 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 1.76 0.97 0.88 0.00 0.00 132 L 7.54 3.87 0.00 1.70 1.63 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.12 3.87 0.00 1.79 1.92 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 134 N 8.31 4.27 0.00 2.94 2.84 0.00 0.00 7.03 7.87 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 0.00 135 I 7.76 3.63 1.81 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 1.48 1.51 0.78 0.00 0.00 136 S 7.99 4.11 0.00 3.93 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 0.00 137 T 7.97 3.99 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 1.20 0.00 0.00 138 N 8.13 4.42 0.00 2.84 2.87 0.00 0.00 7.06 7.92 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 0.00 139 I 6.92 4.35 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.48 0.88 0.00 0.00 140 E 8.46 4.22 0.00 1.87 1.76 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 2.20 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.