NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1598 8.0093 120.7568 60.3112 39.7600 176.8744 6 E 4.4962 7.5878 113.7353 55.0969 30.8035 174.6438 7 D 4.2973 8.9021 122.1095 57.0601 42.6916 179.0891 8 H 4.4261 7.9542 116.4455 58.7855 28.7750 177.6618 9 I 3.7711 7.7527 121.2682 64.5409 36.9970 178.5440 10 S 4.1731 7.7384 115.7867 61.3709 62.6522 176.5077 11 F 4.2532 8.5882 123.6895 61.1982 39.1721 176.9765 12 L 3.7446 8.3322 120.2587 58.0321 41.8121 178.5151 13 E 3.9053 8.2722 118.5564 59.6101 29.5260 179.3819 14 K 3.8461 8.1991 119.3980 59.4205 32.1564 178.6339 15 F 3.8689 8.2260 121.3986 61.1150 39.2280 177.3565 16 I 3.6511 8.3915 119.8535 64.2153 36.8107 178.0888 17 N 4.2493 8.3370 117.6423 56.5376 38.4159 177.1338 18 D 4.2356 7.9480 120.1210 57.4042 40.8845 179.1429 19 V 3.4491 7.4600 118.6386 65.6815 31.3160 177.9519 20 N 4.3242 7.9463 116.5805 56.4295 38.1295 177.4880 21 T 3.8116 8.0667 117.4198 66.4336 68.4830 176.5146 22 L 3.9308 7.8883 122.2427 58.4040 42.1618 179.0666 23 T 3.8035 7.9235 115.4751 66.4883 68.1310 176.1353 24 A 3.9514 7.9429 121.6865 55.2732 18.8042 179.4003 25 K 4.0232 7.7015 116.0390 59.8276 32.0434 179.7409 26 L 4.0880 7.8997 117.3166 56.8912 41.7844 178.5413 27 L 4.5396 7.6235 117.1049 54.1563 41.9624 177.9451 28 K 3.8659 7.7027 121.5645 59.8785 32.0303 178.2307 29 D 4.3294 8.0583 118.3355 57.2749 40.6835 177.9596 30 L 4.0652 8.0268 119.2874 58.6712 42.3428 178.7514 31 Q 4.2123 8.1681 117.4145 59.4355 28.7131 178.9998 32 T 3.9004 7.9329 116.6063 66.7421 68.2978 176.2704 33 E 4.0330 8.9119 120.3818 58.9495 29.7925 177.4801 34 Y 4.3266 8.1804 114.6267 57.1926 38.2164 177.3425 35 G 4.0291 8.1148 108.4957 45.4557 0.0000 174.5291 36 I 3.7875 7.2053 120.6760 61.3863 37.7127 176.0310 37 S 4.7838 8.1645 117.4658 56.4065 66.6145 174.6953 38 A 3.9824 8.4704 123.5550 55.6606 17.9531 179.5784 39 E 3.9085 8.2187 114.7207 59.9395 29.3475 179.3512 40 Q 3.9354 8.0272 118.3094 58.5368 28.7363 178.4307 41 S 3.9363 8.2434 114.6555 61.5207 62.0355 175.6364 42 H 4.1161 8.4306 121.1009 59.4297 29.7076 177.0317 43 V 3.6927 8.0134 120.1649 66.4444 31.0324 178.0328 44 L 4.2956 8.0951 117.0982 57.0058 41.6817 178.0327 45 N 4.6850 7.8903 116.1234 55.1978 38.9761 176.5650 46 M 4.1057 9.2110 121.0944 58.3304 32.4755 177.2874 47 L 4.5391 8.2671 116.3896 55.4293 41.9789 177.6016 48 S 4.3150 8.0080 113.9590 59.8045 62.6861 174.5531 49 I 4.2843 7.3478 111.8106 62.0894 38.6149 175.8838 50 E 4.6561 7.6659 115.7889 53.9547 32.2256 174.3346 51 A 4.6101 8.4291 123.3755 51.8880 19.3153 176.6246 52 L 4.9102 8.4887 120.5305 53.3428 46.8179 175.4868 53 T 4.6858 8.1429 116.0397 61.9136 71.3824 176.0007 54 V 3.5930 8.6306 123.3366 66.3979 31.4657 178.6690 55 G 3.5674 8.0408 104.5776 47.9925 0.0000 175.3877 56 Q 4.0124 7.9542 120.9206 58.8207 28.5375 179.2824 57 I 3.7130 7.6471 118.9138 64.3099 37.0206 178.2479 58 T 4.0889 7.7730 116.8911 66.5050 68.4106 176.6194 59 E 4.0320 8.7294 120.7472 59.4071 29.3767 179.2813 60 K 4.1827 8.0569 114.7312 57.7901 32.0645 177.2570 61 Q 4.3666 8.0144 118.9771 54.5298 30.7459 175.4571 62 G 4.1886 8.4508 105.8456 45.6896 0.0000 174.6678 63 V 3.8258 7.2831 111.1733 60.4137 32.6488 175.4086 64 N 4.3153 8.6723 121.1194 53.6358 39.5025 175.6015 65 K 3.9194 9.1961 127.4048 59.3330 32.1252 177.7161 66 A 3.9162 8.1593 120.0327 55.4239 18.0801 179.0795 67 A 3.9084 7.9095 117.8671 55.4936 18.3219 180.1122 68 V 3.5632 7.7251 114.5941 65.9496 31.9616 177.8454 69 S 4.3189 8.0027 115.1796 60.9957 62.5939 176.2987 70 R 3.8832 7.6866 120.5826 59.6261 30.0014 178.4296 71 R 4.1537 7.5897 115.0158 57.5948 30.5592 178.4190 72 V 3.9830 7.5920 119.4048 63.3437 31.9956 177.4171 73 K 4.3531 7.6831 116.6125 56.2269 32.2381 177.8287 74 K 4.3265 7.7774 120.6661 57.9169 32.7117 178.3576 75 L 4.1666 7.4860 118.1368 56.7917 41.6148 179.2668 76 L 4.1755 7.7445 118.9466 57.7239 41.5960 178.6002 77 N 4.1799 7.6770 114.5119 56.1019 38.9589 175.1058 78 A 4.3894 7.6350 118.4525 51.2076 19.3135 176.3572 79 E 3.8531 7.8552 114.6475 57.6642 27.9779 175.3820 80 L 4.7936 8.6062 118.3628 54.3422 44.0011 177.3021 81 V 5.0871 7.6324 116.5463 60.1439 34.9595 174.4086 82 K 4.7217 8.7488 119.0368 55.3964 36.2503 175.1793 83 L 5.1151 8.5163 121.5814 55.3454 42.4677 177.0742 84 E 3.2106 8.8460 122.0250 56.8439 29.8637 173.5618 *95 K 4.1907 8.0865 117.7622 56.8672 34.0568 175.5545 96 I 4.4232 7.6288 113.1416 60.4503 41.1396 173.0864 97 I 4.6479 7.9975 115.3001 60.1693 40.1727 174.9968 98 K 4.9276 8.6826 129.4343 55.0151 35.1276 175.8273 99 L 5.0644 8.4815 119.5187 53.5525 44.6458 176.3687 100 S 4.8755 8.0988 114.7805 56.2778 66.7037 174.6758 101 N 4.3448 8.7219 120.3931 57.0268 38.3740 177.6890 102 K 3.9340 8.2446 118.9385 59.4167 32.0951 179.5361 103 G 4.1212 7.9022 107.0615 46.9271 0.0000 175.9229 104 K 3.9946 8.8032 121.5280 59.4239 32.1533 179.3205 105 K 3.8518 9.1080 119.8180 59.9608 31.8949 178.4533 106 Y 3.8204 8.0077 118.8572 60.8337 38.7558 178.0114 107 I 3.5010 7.5449 120.1676 64.4152 37.1343 178.5114 108 K 3.8653 8.2410 119.1311 59.7041 31.8707 179.3199 109 E 3.8683 8.2424 118.7343 59.1307 29.2583 179.6727 110 R 3.6418 7.7421 119.2142 59.2106 30.1452 178.5269 111 K 3.8774 8.3782 118.4533 59.4256 32.1101 179.0973 112 A 3.9580 8.1431 121.1093 55.3461 17.8370 179.8225 113 I 3.8464 7.4963 118.3745 64.4121 37.0525 178.7127 114 M 3.9130 7.9662 119.9230 58.4455 31.9812 178.8643 115 S 4.1933 8.6894 113.8174 60.8312 62.7277 175.6022 116 H 4.3227 7.9403 121.5139 58.5413 29.4517 176.7281 117 I 3.8217 7.2955 114.2692 63.0584 37.7867 177.6818 118 A 3.9486 7.9391 121.8989 55.1181 18.6095 179.1009 119 S 4.0993 8.1086 111.2674 62.6048 62.4227 175.7645 120 D 3.9952 7.9461 115.9427 58.4401 40.3385 178.2993 121 M 4.1935 7.3434 117.3177 56.7721 31.7501 177.0338 122 T 3.1833 7.8880 107.3996 61.0499 70.3658 175.7685 123 S 4.1256 7.5515 117.0422 60.7714 63.0812 174.6606 124 D 4.8506 7.6567 118.9632 52.9685 39.4081 176.1547 125 F 4.9120 7.6613 117.8377 57.5205 40.1931 175.3402 126 D 4.7749 8.4192 121.9705 52.9099 42.1865 176.8864 127 S 4.1713 8.8598 123.4446 62.0315 62.6932 176.8144 128 K 4.0036 8.1851 121.1387 59.2088 32.0401 179.0716 129 E 3.9647 9.2919 119.5371 59.4212 29.2677 179.4724 130 I 3.6893 7.8797 119.8942 64.1494 37.1225 178.0934 131 E 3.9347 8.2722 119.5267 59.5263 29.5152 179.3252 132 K 4.1308 7.7941 120.1320 58.8319 32.2101 178.7580 133 V 3.5177 7.5730 117.9636 66.1398 31.2881 177.9324 134 R 3.8791 8.2165 118.5090 59.4856 29.9553 178.1408 135 Q 4.0980 8.0769 117.8526 59.1268 28.6981 179.4504 136 V 3.6663 7.6219 118.4145 66.0169 31.5352 178.0312 137 L 3.9695 7.8737 118.6274 57.9015 41.4764 179.2097 138 E 3.9286 9.1269 119.6177 59.7949 29.2873 179.6909 139 I 3.9072 7.9310 119.5550 64.3163 37.0295 178.5093 140 I 3.9090 8.0026 120.8919 63.8021 36.9417 177.8828 141 D 4.2938 8.7989 119.9446 57.5094 41.1815 177.3112 142 Y 4.1297 8.4501 120.4766 61.2657 38.7246 178.7302 143 R 3.9265 8.0358 118.5175 58.9591 30.1768 179.1928 144 I 3.7482 7.9584 120.0801 64.3984 36.9036 178.3823 145 Q 3.9420 7.9110 117.6135 58.9634 28.7301 178.3554 146 S 4.0775 7.6388 113.9455 61.7885 62.1748 175.7787 147 Y 3.8379 8.0716 121.8744 60.8484 38.2880 177.9218 148 T 3.8810 7.7108 115.6560 66.1566 68.5055 176.5532 149 S 4.2467 7.4944 117.1051 60.2730 63.0421 175.8661 150 K 3.9911 7.6049 119.4415 57.1194 30.9379 176.9837 151 L 4.1438 8.2504 126.6164 56.6140 40.2372 176.5693 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 5 I 8.01 4.16 1.83 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 1.33 0.88 0.00 0.00 6 E 7.59 4.50 0.00 2.22 2.05 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 2.25 2.36 0.00 7 D 8.90 4.30 0.00 2.66 2.52 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 0.00 0.00 0.00 0.00 8 H 7.95 4.43 0.00 3.24 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.75 3.77 1.90 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 1.67 0.88 0.97 0.00 0.00 10 S 7.74 4.17 0.00 3.92 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 11 F 8.59 4.25 0.00 3.21 3.29 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 12 L 8.33 3.74 0.00 2.00 1.66 0.85 1.19 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 13 E 8.27 3.91 0.00 2.28 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 0.00 2.34 2.48 0.00 14 K 8.20 3.85 0.00 1.83 2.01 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.45 7.81 15 F 8.23 3.87 0.00 2.22 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 16 I 8.39 3.65 1.98 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 1.59 0.62 0.89 0.00 0.00 17 N 8.34 4.25 0.00 2.83 2.82 0.00 0.00 7.04 8.78 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 18 D 7.95 4.24 0.00 2.63 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 19 V 7.46 3.45 1.95 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 0.90 0.00 0.00 0.27 0.00 0.00 20 N 7.95 4.32 0.00 2.93 2.80 0.00 0.00 6.92 7.19 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 21 T 8.07 3.81 4.30 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 1.18 0.00 0.00 22 L 7.89 3.93 0.00 1.70 1.57 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.92 3.80 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 1.17 0.00 0.00 24 A 7.94 3.95 1.34 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 0.00 0.00 0.00 25 K 7.70 4.02 0.00 1.93 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.67 7.81 26 L 7.90 4.09 0.00 1.60 1.72 0.89 0.87 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 27 L 7.62 4.54 0.00 1.78 1.71 0.91 0.44 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 28 K 7.70 3.87 0.00 1.90 1.83 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 29 D 8.06 4.33 0.00 2.83 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 30 L 8.03 4.07 0.00 1.65 1.84 1.05 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.17 4.21 0.00 2.53 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 32 T 7.93 3.90 4.43 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 1.24 0.00 0.00 33 E 8.91 4.03 0.00 2.10 2.45 0.00 0.00 0.00 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 2.38 0.00 34 Y 8.18 4.33 0.00 3.21 2.87 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 35 G 8.11 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 I 7.21 3.79 1.92 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 0.76 0.00 0.00 37 S 8.16 4.78 0.00 4.01 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 38 A 8.47 3.98 1.34 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 0.00 0.00 0.00 39 E 8.22 3.91 0.00 2.16 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 0.00 2.36 2.36 0.00 40 Q 8.03 3.94 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 41 S 8.24 3.94 0.00 3.91 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 42 H 8.43 4.12 0.00 3.23 3.44 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.01 3.69 2.21 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 0.90 0.00 0.00 0.94 0.00 0.00 44 L 8.10 4.30 0.00 1.89 1.77 0.59 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.89 4.69 0.00 2.89 2.97 0.00 0.00 6.66 8.37 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 46 M 9.21 4.11 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 47 L 8.27 4.54 0.00 1.69 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.01 4.32 0.00 3.86 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 49 I 7.35 4.28 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.80 0.93 0.00 0.00 50 E 7.67 4.66 0.00 2.05 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 2.18 2.31 0.00 51 A 8.43 4.61 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 52 L 8.49 4.91 0.00 1.55 1.51 0.92 0.74 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 53 T 8.14 4.69 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 54 V 8.63 3.59 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 1.04 0.00 0.00 0.92 0.00 0.00 55 G 8.04 3.57 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 0.00 56 Q 7.95 4.01 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 57 I 7.65 3.71 1.98 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 1.63 0.62 0.88 0.00 0.00 58 T 7.77 4.09 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 1.31 0.00 0.00 59 E 8.73 4.03 0.00 2.11 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 0.00 2.32 2.46 0.00 60 K 8.06 4.18 0.00 1.71 1.85 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.72 7.81 61 Q 8.01 4.37 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 62 G 8.45 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 63 V 7.28 3.83 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 0.69 0.00 0.00 0.92 0.00 0.00 64 N 8.67 4.32 0.00 2.75 2.70 0.00 0.00 6.58 5.97 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 65 K 9.20 3.92 0.00 1.85 1.83 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.41 7.81 66 A 8.16 3.92 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 67 A 7.91 3.91 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 68 V 7.73 3.56 2.20 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 0.89 0.00 0.00 0.91 0.00 0.00 69 S 8.00 4.32 0.00 4.09 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 70 R 7.69 3.88 0.00 1.82 2.08 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 71 R 7.59 4.15 0.00 1.75 1.95 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 72 V 7.59 3.98 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 0.90 0.00 0.00 0.92 0.00 0.00 73 K 7.68 4.35 0.00 1.83 1.84 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.44 7.81 74 K 7.78 4.33 0.00 1.93 1.82 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.82 7.81 75 L 7.49 4.17 0.00 1.94 1.69 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.74 4.18 0.00 1.68 1.70 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 77 N 7.68 4.18 0.00 2.84 3.02 0.00 0.00 7.19 7.84 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 78 A 7.63 4.39 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 79 E 7.86 3.85 0.00 2.10 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 2.26 2.26 0.00 80 L 8.61 4.79 0.00 1.67 1.68 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.63 5.09 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 0.80 0.00 0.00 1.07 0.00 0.00 82 K 8.75 4.72 0.00 1.82 1.90 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.43 7.81 83 L 8.52 5.12 0.00 1.56 1.64 0.92 1.14 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 84 E 8.85 3.21 0.00 2.00 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 2.22 2.28 0.00 *95 K 8.09 4.19 0.00 1.91 1.84 0.00 1.54 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.50 7.81 96 I 7.63 4.42 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 1.40 0.29 0.91 0.00 0.00 97 I 8.00 4.65 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 1.46 0.88 0.91 0.00 0.00 98 K 8.68 4.93 0.00 1.75 1.81 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.41 7.81 99 L 8.48 5.06 0.00 1.62 1.58 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.10 4.88 0.00 4.04 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 0.00 101 N 8.72 4.34 0.00 2.78 2.98 0.00 0.00 6.85 7.68 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 0.00 102 K 8.24 3.93 0.00 2.04 1.97 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.54 7.81 103 G 7.90 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 0.00 0.00 0.00 104 K 8.80 3.99 0.00 2.02 1.90 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 105 K 9.11 3.85 0.00 1.83 2.04 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.69 7.81 106 Y 8.01 3.82 0.00 2.76 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 0.00 107 I 7.54 3.50 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.21 0.89 0.00 0.00 108 K 8.24 3.87 0.00 1.88 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 109 E 8.24 3.87 0.00 1.96 1.92 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 2.34 2.48 0.00 110 R 7.74 3.64 0.00 1.14 1.77 0.00 2.99 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 111 K 8.38 3.88 0.00 1.87 1.81 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.63 7.81 112 A 8.14 3.96 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 0.00 113 I 7.50 3.85 1.81 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 1.49 0.94 0.94 0.00 0.00 114 M 7.97 3.91 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.80 0.00 115 S 8.69 4.19 0.00 4.00 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 0.00 116 H 7.94 4.32 0.00 3.33 3.32 0.00 5.57 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.30 3.82 1.82 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 1.50 0.86 0.96 0.00 0.00 118 A 7.94 3.95 1.34 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 0.00 0.00 0.00 119 S 8.11 4.10 0.00 4.18 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 0.00 120 D 7.95 4.00 0.00 2.91 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 M 7.34 4.19 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 122 T 7.89 3.18 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 1.14 0.00 0.00 123 S 7.55 4.13 0.00 4.02 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 0.00 124 D 7.66 4.85 0.00 2.82 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 F 7.66 4.91 0.00 3.14 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 0.00 126 D 8.42 4.77 0.00 2.72 2.54 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 0.00 0.00 0.00 0.00 127 S 8.86 4.17 0.00 4.10 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 0.00 128 K 8.19 4.00 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.47 7.81 129 E 9.29 3.96 0.00 2.10 1.89 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 2.28 2.45 0.00 130 I 7.88 3.69 2.01 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.08 0.94 0.00 0.00 131 E 8.27 3.93 0.00 2.28 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 2.34 2.40 0.00 132 K 7.79 4.13 0.00 1.82 1.77 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.29 7.81 133 V 7.57 3.52 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 0.88 0.00 0.00 0.88 0.00 0.00 134 R 8.22 3.88 0.00 1.91 2.06 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 135 Q 8.08 4.10 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 136 V 7.62 3.67 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 1.08 0.00 0.00 0.97 0.00 0.00 137 L 7.87 3.97 0.00 1.88 1.71 0.90 0.94 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 0.00 138 E 9.13 3.93 0.00 2.11 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 2.36 2.49 0.00 139 I 7.93 3.91 2.03 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 1.48 1.47 0.93 0.00 0.00 140 I 8.00 3.91 1.99 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 1.42 0.79 0.92 0.00 0.00 141 D 8.80 4.29 0.00 2.89 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 0.00 142 Y 8.45 4.13 0.00 3.08 3.19 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 0.00 143 R 8.04 3.93 0.00 2.02 2.01 0.00 3.25 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.13 0.00 144 I 7.96 3.75 2.04 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 1.52 1.23 0.93 0.00 0.00 145 Q 7.91 3.94 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 146 S 7.64 4.08 0.00 3.51 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 0.00 147 Y 8.07 3.84 0.00 3.15 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 0.00 148 T 7.71 3.88 4.41 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 1.23 0.00 0.00 149 S 7.49 4.25 0.00 3.86 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 0.00 150 K 7.60 3.99 0.00 1.53 1.44 0.00 1.26 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.19 7.81 151 L 8.25 4.14 0.00 1.64 1.51 0.91 0.45 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 * Residues marked with a * may have inaccurate shift predictions.