NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4362 8.3193 116.7884 58.2515 64.2759 173.7759 3 V 3.3990 8.3920 124.8578 63.3762 31.6460 174.7603 4 Y 4.9703 8.3040 117.0345 56.3780 42.2246 175.7716 5 H 4.7788 10.2188 119.9843 57.1857 31.3301 174.3024 6 H 5.1781 9.2050 118.6203 55.0083 32.8979 172.1668 7 I 4.6920 9.0806 128.2401 59.5591 39.5041 174.6390 8 L 4.8420 8.9359 130.2083 53.5111 43.6002 174.8224 9 L 4.6584 8.8280 129.6400 54.2512 43.5383 174.9264 10 A 5.1613 8.7414 128.9412 50.5918 20.2083 176.3968 11 V 4.5126 8.2036 116.1943 59.6192 34.1043 175.8818 12 D 4.4750 8.6449 121.6182 52.3739 40.2043 175.7865 13 F 4.8295 8.3619 116.3750 58.8483 35.9470 174.8092 14 S 4.7454 8.0559 114.5983 56.5673 64.9370 175.0123 15 S 4.2440 8.5393 114.6904 60.7915 62.5724 174.8662 16 E 4.3690 7.8578 118.4915 56.6564 29.9671 177.5240 17 D 4.4486 8.2181 120.6608 57.8851 40.9897 178.9032 18 S 4.1178 8.0513 112.7043 61.2275 62.4054 176.0309 19 Q 3.9675 7.8163 120.6732 58.9705 28.4709 178.9354 20 V 3.5277 7.7147 118.5695 65.9269 31.6323 177.5981 21 V 3.5951 8.2614 118.3320 66.5308 31.2154 178.0822 22 Q 4.0051 7.9740 116.9576 58.6446 28.4856 178.4720 23 K 3.8543 7.9895 120.7299 59.7593 32.1674 179.0192 24 V 3.6040 8.1757 118.7560 65.7308 31.5080 177.8626 25 R 3.8773 8.4427 119.0160 59.6231 29.9581 178.2745 26 N 4.3503 8.5193 116.5946 56.2028 38.5172 176.8079 27 L 3.9045 8.3522 121.8780 58.4314 42.0986 178.9690 28 A 4.0591 8.3502 120.5056 55.3139 17.5741 179.8259 29 S 4.0944 8.0618 113.4494 61.8815 62.6750 176.9650 30 Q 4.3159 8.1192 120.1506 58.0292 28.5781 177.6564 31 I 4.2780 7.8726 111.8869 60.2951 38.3757 176.0857 32 G 3.7547 7.6406 108.9256 46.2751 0.0000 173.0746 33 A 4.9723 7.9988 120.7783 50.0591 20.9799 178.1986 34 R 4.4249 8.7606 116.8730 55.5875 31.6875 175.2496 35 L 5.3695 8.4125 119.4386 53.2905 44.5900 175.7846 36 S 5.1331 9.0469 117.6528 56.7011 67.4339 172.5275 37 L 5.3020 9.0691 121.7747 53.7303 45.8152 174.8859 38 I 5.3514 8.8249 124.3334 59.8521 42.2586 172.9489 39 H 4.9675 9.2869 127.6670 54.3285 32.9383 171.9323 40 V 4.4562 7.9454 125.5791 61.3019 32.7049 175.1624 41 L 3.8441 8.2703 128.8295 54.9488 41.8781 176.4936 42 D 4.3054 8.6482 124.3266 55.5876 39.4461 174.5000 *53 T 4.2505 8.0300 108.2865 60.7906 70.7021 173.7630 54 A 4.2422 7.8503 124.9919 51.3103 19.1600 176.6049 55 I 4.1355 8.2340 124.8878 59.7665 38.0674 174.1595 56 P 4.4213 0.0000 0.0000 62.8139 31.7643 176.2676 57 L 4.3739 8.4557 121.8192 55.7403 42.3928 177.0694 58 D 4.6636 8.0311 116.2600 53.8768 40.1400 176.1297 59 T 4.6755 7.3207 108.9816 59.3147 71.8684 173.1020 60 E 4.0438 8.6350 124.3748 56.3567 30.2547 176.7741 61 T 4.2530 8.3006 116.3307 61.5511 68.9659 174.0031 62 T 4.6771 7.6638 111.3082 61.3890 69.5665 175.8268 63 Y 4.3950 8.4073 121.2977 62.6903 38.4259 178.1265 64 D 4.5160 8.5038 118.6014 57.5997 41.4036 179.2882 65 A 4.0894 7.4408 115.8991 53.1029 18.1929 179.0246 *67 L 4.3075 8.0201 120.8034 56.3723 43.8474 178.9629 68 D 4.4272 8.5344 118.7628 57.5088 40.6256 179.2704 69 V 3.5278 7.6998 118.1706 66.0051 31.4998 178.0207 70 E 3.8671 8.0514 117.8264 59.2658 29.3698 179.1811 71 K 3.9114 8.4413 118.9457 59.6118 32.1226 179.3713 72 Q 3.9184 8.1085 118.1428 58.9320 28.4735 179.0365 73 K 3.6517 7.6516 119.4588 58.9884 31.8519 179.1864 74 L 4.1292 7.7908 120.6914 58.3806 42.0314 179.0677 75 S 4.1895 8.4283 113.4601 61.2301 62.2458 175.8414 76 Q 3.9633 8.4409 121.3627 59.1613 28.5572 179.3234 77 I 3.8707 7.5640 120.5591 64.3027 37.3130 178.5199 78 G 3.7593 8.6215 106.9006 48.0431 0.0000 175.4494 79 N 4.3615 8.5439 119.0477 56.3950 38.3779 177.4760 80 T 3.8907 7.4749 115.4772 66.5564 68.7038 175.7796 81 L 4.4163 7.6520 117.2598 54.0401 42.0560 177.1992 82 G 3.8843 7.5747 106.3290 46.3994 0.0000 173.5874 83 I 4.0840 7.6684 121.0142 59.6242 37.9283 175.7833 84 D 4.3970 8.7516 125.2033 53.6962 41.7655 175.1847 85 P 4.2522 0.0000 0.0000 65.8247 31.0702 178.0853 86 A 3.7563 8.5284 121.1392 54.5047 18.4424 177.4843 87 H 5.0439 8.3944 112.2671 55.4726 30.5660 173.4259 88 R 5.0481 7.4010 117.8511 54.2005 32.1420 175.6699 89 W 4.7442 9.2724 123.3544 54.7462 32.5507 174.1137 90 L 5.0897 8.8711 126.9319 53.5465 43.2373 175.4556 91 V 4.6293 8.2054 119.2663 59.0247 35.2099 175.3829 92 W 4.5923 8.8759 124.0378 55.9054 29.8975 177.2690 93 G 3.8941 8.6265 112.8968 45.0705 0.0000 172.3283 94 E 4.2818 8.3718 120.0327 56.7913 30.8707 170.5371 95 P 4.4088 0.0000 0.0000 65.6702 31.5082 178.9978 96 R 3.8968 8.0400 118.3002 61.8476 29.1404 180.5191 97 E 4.1442 8.0501 118.7172 59.2635 29.5739 179.3323 98 E 3.9178 8.3184 118.6279 59.2780 29.5360 179.1484 99 I 3.5955 8.1420 120.2010 64.7457 37.2551 178.4599 100 I 3.6813 7.7752 120.4697 64.2711 36.9053 178.7833 101 R 3.8572 8.2635 117.3573 59.2250 29.2725 179.0528 102 I 3.1652 7.6855 120.3442 63.7313 37.0495 177.8823 103 A 3.9009 7.8788 124.0435 56.0911 18.1458 179.9979 104 E 3.8500 8.0614 116.3078 61.2571 29.6104 180.5030 105 Q 4.1423 7.7295 119.7119 59.0062 29.1011 178.1972 106 E 4.4404 8.2147 116.0278 54.9437 30.4783 175.7849 107 N 4.1544 7.8140 114.7628 54.2477 36.6329 174.9072 108 V 3.8415 7.7672 116.7492 62.7530 32.5130 174.9054 109 D 5.0365 8.8051 124.3428 52.9902 40.8055 175.5481 110 L 4.5209 7.4912 121.8969 53.7866 45.5440 174.3904 111 I 4.6797 8.4396 127.4390 59.9576 39.3177 174.7187 112 V 4.8392 8.8630 127.2203 61.0757 33.6713 174.7748 113 V 4.7013 8.8547 127.0286 59.7640 35.0539 174.8343 114 G 4.2101 8.6760 109.9579 45.7309 0.0000 172.9290 115 S 4.2539 8.6445 118.8318 60.1472 65.1885 176.8165 116 H 3.4346 8.6438 120.9039 56.6899 31.6208 176.8112 *127 S 4.4968 9.0264 123.9466 58.5395 64.3910 178.3749 128 T 3.8846 9.3693 116.7921 67.3855 68.8434 174.4088 129 A 4.0150 8.2434 124.5028 56.3382 18.0919 180.0892 130 N 4.4678 8.2438 117.5001 57.7295 37.8591 179.5326 131 S 4.5719 7.7091 118.8742 63.3912 62.6687 181.1847 132 V 3.7553 8.1368 122.5969 65.8095 30.9869 177.9335 133 L 4.0347 7.9765 121.6317 58.7490 42.0232 178.6579 *134 H 4.6352 7.8310 119.4944 58.3913 28.2963 178.5370 *135 Y 4.7597 7.5180 113.7048 56.5527 39.0358 181.1371 136 A 4.1769 8.0657 124.7763 53.8219 18.9435 178.2701 137 K 4.4774 8.5012 121.7708 54.3368 32.0899 174.9540 138 C 5.0734 7.4367 112.9341 57.1615 33.4187 173.3157 139 D 4.6089 8.7200 118.1719 54.6119 41.6978 175.8467 140 V 4.7722 8.1914 120.5278 61.0005 34.5772 174.2367 141 L 4.5654 9.1891 130.0010 53.4599 43.7518 174.6714 142 A 4.9882 8.5485 128.9390 50.4799 20.5960 175.8541 143 V 4.1344 9.1432 126.8210 61.9652 33.1477 176.0981 144 R 4.4972 8.6380 129.2453 57.1022 29.9448 172.9967 145 L 4.3074 8.5823 124.1700 53.8574 41.4325 176.6494 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 8.32 4.44 0.00 3.70 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 3 V 8.39 3.40 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 0.60 0.00 0.00 0.55 0.00 0.00 4 Y 8.30 4.97 0.00 2.94 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 5 H 10.22 4.78 0.00 3.11 3.37 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 9.21 5.18 0.00 3.17 3.24 0.00 5.57 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.08 4.69 1.88 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 0.99 0.52 0.86 0.00 0.00 8 L 8.94 4.84 0.00 1.60 1.46 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.83 4.66 0.00 1.82 1.54 0.97 0.68 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 10 A 8.74 5.16 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 0.00 0.00 0.00 0.00 0.00 11 V 8.20 4.51 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 0.78 0.00 0.00 1.01 0.00 0.00 12 D 8.64 4.48 0.00 2.69 2.67 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 0.00 0.00 0.00 0.00 13 F 8.36 4.83 0.00 3.21 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 14 S 8.06 4.75 0.00 4.16 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 0.00 15 S 8.54 4.24 0.00 4.02 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 16 E 7.86 4.37 0.00 2.16 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 2.30 2.33 0.00 17 D 8.22 4.45 0.00 2.83 2.82 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 18 S 8.05 4.12 0.00 3.90 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 19 Q 7.82 3.97 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 20 V 7.71 3.53 2.18 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 1.09 0.00 0.00 0.97 0.00 0.00 21 V 8.26 3.60 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 1.01 0.00 0.00 0.99 0.00 0.00 22 Q 7.97 4.01 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.54 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 23 K 7.99 3.85 0.00 1.89 2.07 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 24 V 8.18 3.60 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 1.02 0.00 0.00 0.95 0.00 0.00 25 R 8.44 3.88 0.00 2.01 2.04 0.00 3.16 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 1.69 0.00 26 N 8.52 4.35 0.00 2.89 2.86 0.00 0.00 6.70 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.35 3.90 0.00 1.87 1.87 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.35 4.06 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 29 S 8.06 4.09 0.00 3.98 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 30 Q 8.12 4.32 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 31 I 7.87 4.28 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.64 0.96 0.00 0.00 32 G 7.64 3.75 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 0.00 0.00 0.00 33 A 8.00 4.97 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 34 R 8.76 4.42 0.00 1.88 2.06 0.00 2.64 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.42 0.00 35 L 8.41 5.37 0.00 1.55 1.63 0.94 0.88 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 36 S 9.05 5.13 0.00 3.91 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 0.00 37 L 9.07 5.30 0.00 1.79 1.53 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.82 5.35 1.97 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 1.11 1.52 0.95 0.00 0.00 39 H 9.29 4.97 0.00 2.95 3.05 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.95 4.46 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 0.91 0.00 0.00 0.86 0.00 0.00 41 L 8.27 3.84 0.00 1.02 1.13 -0.26 0.73 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 42 D 8.65 4.31 0.00 2.77 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 *53 T 8.03 4.25 4.22 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 1.19 0.00 0.00 54 A 7.85 4.24 1.27 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 55 I 8.23 4.14 1.90 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 1.49 0.88 0.98 0.00 0.00 56 P 0.00 4.42 0.00 2.17 2.06 0.00 3.80 0.00 0.00 3.68 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 57 L 8.46 4.37 0.00 1.66 1.76 0.93 1.13 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 58 D 8.03 4.66 0.00 2.78 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 59 T 7.32 4.68 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 1.20 0.00 0.00 60 E 8.64 4.04 0.00 1.93 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 2.30 2.36 0.00 61 T 8.30 4.25 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 1.25 0.00 0.00 62 T 7.66 4.68 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 1.18 0.00 0.00 63 Y 8.41 4.40 0.00 3.09 3.16 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 64 D 8.50 4.52 0.00 2.77 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 65 A 7.44 4.09 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 *67 L 8.02 4.31 0.00 2.03 1.81 1.22 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.53 4.43 0.00 2.84 2.72 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 69 V 7.70 3.53 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 0.97 0.00 0.00 0.98 0.00 0.00 70 E 8.05 3.87 0.00 2.19 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 2.42 2.35 0.00 71 K 8.44 3.91 0.00 1.96 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.60 7.81 72 Q 8.11 3.92 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.69 0.00 73 K 7.65 3.65 0.00 0.79 0.74 0.00 0.84 0.00 0.00 1.09 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.07 1.23 7.81 74 L 7.79 4.13 0.00 2.07 1.87 1.11 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.43 4.19 0.00 3.90 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 76 Q 8.44 3.96 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 77 I 7.56 3.87 2.08 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.95 0.97 0.00 0.00 78 G 8.62 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 0.00 0.00 0.00 0.00 79 N 8.54 4.36 0.00 2.77 2.86 0.00 0.00 7.02 6.65 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 80 T 7.47 3.89 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 1.22 0.00 0.00 81 L 7.65 4.42 0.00 1.66 1.73 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.57 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 0.00 0.00 0.00 83 I 7.67 4.08 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 1.05 0.00 0.00 84 D 8.75 4.40 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.14 2.24 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 86 A 8.53 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.39 5.04 0.00 3.14 3.37 0.00 5.58 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.40 5.05 0.00 1.68 1.79 0.00 3.04 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 89 W 9.27 4.74 0.00 3.29 3.09 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 90 L 8.87 5.09 0.00 1.63 1.56 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.21 4.63 2.16 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 0.88 0.00 0.00 0.94 0.00 0.00 92 W 8.88 4.59 0.00 3.22 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 93 G 8.63 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 94 E 8.37 4.28 0.00 1.99 1.85 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 2.30 1.96 0.00 95 P 0.00 4.41 0.00 2.11 2.10 0.00 3.58 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 96 R 8.04 3.90 0.00 1.81 1.96 0.00 3.25 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.32 0.00 97 E 8.05 4.14 0.00 1.99 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 2.39 2.39 0.00 98 E 8.32 3.92 0.00 1.95 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 2.54 2.62 0.00 99 I 8.14 3.60 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.90 0.84 0.00 0.00 100 I 7.78 3.68 1.91 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 1.53 0.72 0.87 0.00 0.00 101 R 8.26 3.86 0.00 1.95 2.25 0.00 2.73 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 102 I 7.69 3.17 1.54 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 1.43 0.34 -0.06 0.00 0.00 103 A 7.88 3.90 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 0.00 104 E 8.06 3.85 0.00 2.01 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 2.24 2.19 0.00 105 Q 7.73 4.14 0.00 1.93 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.08 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 106 E 8.21 4.44 0.00 1.95 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 2.10 2.43 0.00 107 N 7.81 4.15 0.00 2.92 2.90 0.00 0.00 6.85 8.14 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 0.00 108 V 7.77 3.84 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 0.75 0.00 0.00 0.66 0.00 0.00 109 D 8.81 5.04 0.00 2.84 2.81 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 0.00 110 L 7.49 4.52 0.00 0.49 1.06 0.57 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.44 4.68 1.79 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 1.03 0.53 0.85 0.00 0.00 112 V 8.86 4.84 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 1.09 0.00 0.00 0.85 0.00 0.00 113 V 8.85 4.70 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 0.69 0.00 0.00 0.89 0.00 0.00 114 G 8.68 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 0.00 0.00 0.00 0.00 115 S 8.64 4.25 0.00 3.83 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 0.00 116 H 8.64 3.43 0.00 3.24 3.48 0.00 5.75 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 *127 S 9.03 4.50 0.00 3.68 3.52 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 0.00 128 T 9.37 3.88 4.22 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 1.17 0.00 0.00 129 A 8.24 4.02 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 0.00 130 N 8.24 4.47 0.00 2.84 2.75 0.00 0.00 6.53 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 0.00 131 S 7.71 4.57 0.00 3.68 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 0.00 132 V 8.14 3.76 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 0.88 0.00 0.00 0.94 0.00 0.00 133 L 7.98 4.03 0.00 1.98 1.67 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *134 H 7.83 4.64 0.00 3.01 2.95 0.00 7.20 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *135 Y 7.52 4.76 0.00 2.27 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 0.00 0.00 0.00 0.00 136 A 8.07 4.18 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 0.00 137 K 8.50 4.48 0.00 1.78 1.69 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 0.98 7.81 138 C 7.44 5.07 0.00 3.05 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 0.00 139 D 8.72 4.61 0.00 2.69 2.67 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 0.00 0.00 0.00 0.00 140 V 8.19 4.77 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 0.73 0.00 0.00 0.93 0.00 0.00 141 L 9.19 4.57 0.00 1.64 1.42 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.55 4.99 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 0.00 143 V 9.14 4.13 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 0.95 0.00 0.00 0.91 0.00 0.00 144 R 8.64 4.50 0.00 1.64 1.72 0.00 3.30 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 145 L 8.58 4.31 0.00 1.37 1.49 0.64 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.