NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3541 8.4449 120.2334 55.6487 31.7596 175.6249 4 Q 4.5151 7.7168 116.0470 52.6807 31.0001 172.8081 5 P 4.4788 0.0000 0.0000 62.1706 33.0882 176.5001 6 I 3.8723 7.5371 119.9162 64.5582 37.3227 176.6053 7 F 4.9711 7.6578 119.9204 57.3006 42.7306 172.7155 8 T 4.8600 7.1234 118.2071 61.1225 70.7391 172.2848 9 T 4.5693 8.7182 121.3545 61.4029 71.6519 171.7783 10 R 5.1855 8.2709 119.8159 54.6642 33.8426 174.7880 11 A 4.2943 8.5750 123.3357 51.7794 23.6828 174.2649 12 H 4.7756 8.7315 116.1496 54.7838 30.7396 175.0532 13 V 4.7628 8.1878 122.6111 61.2811 33.6137 174.5352 14 F 5.4680 9.4380 125.4951 56.0218 43.5398 173.7428 15 Q 5.3569 9.6018 118.6274 54.7043 33.4434 174.1525 16 I 4.3487 7.7678 120.8078 59.6379 39.2344 175.0906 *23 N 4.2747 8.4909 122.4226 52.6550 39.7738 174.0630 24 W 4.7278 8.3180 120.8570 57.1321 29.8792 175.9620 25 V 4.8575 9.0025 120.5253 60.4508 34.7769 172.7734 26 P 4.3456 0.0000 0.0000 62.9447 31.5008 175.7760 27 A 4.7348 8.9963 124.4433 51.8381 20.4874 176.9575 28 S 4.5380 7.4470 110.0915 55.9780 65.4216 175.2611 29 K 4.0090 8.7032 124.3784 58.6953 31.9846 175.7009 30 Q 4.5851 7.1423 114.2165 54.9177 31.8866 173.6197 31 A 3.9811 8.3321 121.4148 52.2465 18.9491 177.2822 32 V 4.4841 8.7055 115.1243 59.4100 36.3792 174.7338 33 T 4.6583 8.3116 117.9779 63.3960 69.4098 174.9845 34 V 4.5201 9.1493 125.2220 61.3665 34.7897 174.4723 35 S 5.1958 8.9083 122.2113 57.1617 67.8303 172.2146 36 Y 5.0055 8.6860 119.5685 56.7069 39.6969 175.0686 37 F 5.1524 9.4334 122.3370 55.8218 43.6317 173.5587 38 Y 4.5372 8.7622 122.9659 56.2447 39.5598 175.2101 39 D 4.2900 9.0227 128.6649 53.2399 40.0593 176.7141 40 V 2.8094 7.7093 125.5816 65.8929 31.7159 177.4265 41 T 3.9171 7.6665 108.7211 64.5679 68.5740 175.2464 42 R 4.0804 7.9295 118.3141 55.8929 30.9223 175.5044 43 N 4.2748 7.7699 114.7193 53.4213 36.3375 172.8634 44 S 4.7436 7.4080 110.4599 58.1729 66.9611 173.6073 45 Y 5.1596 8.6754 117.2312 56.6729 40.3219 175.0308 46 R 5.1393 9.2639 122.2796 54.7990 34.2412 173.7820 47 I 4.5937 9.2334 127.7900 60.2745 38.9520 174.7341 48 I 5.1508 9.0514 128.2471 59.5518 40.8882 174.7019 49 S 4.9973 9.0803 120.5441 56.8512 65.5589 173.0497 50 V 4.8977 8.5321 119.3876 59.8359 35.1795 175.5599 51 D 4.3996 9.2691 122.9006 53.8901 43.2604 175.9416 52 G 3.9578 8.2640 119.3669 46.7825 0.0000 173.1118 53 A 4.4288 8.7341 127.5259 51.6664 19.2562 177.2249 54 K 4.5657 7.7710 116.8356 54.3097 34.4427 175.8010 55 V 4.5467 8.2455 122.5360 60.2040 32.0020 175.5154 56 I 4.2651 8.2443 119.2592 61.8876 38.9283 176.1731 57 I 4.2781 7.5501 123.5232 59.0117 40.8593 175.0571 58 N 5.5857 8.3998 125.4396 52.4050 38.3812 173.0468 59 S 5.1142 8.8862 116.2676 56.9370 65.0545 173.5985 60 T 4.8004 8.7286 124.3727 63.2256 69.3950 174.2400 61 I 4.2466 8.6978 128.5818 60.4594 37.9590 175.6591 62 T 4.6572 8.3542 116.8743 58.8277 71.4388 173.5195 63 P 4.2221 0.0000 0.0000 65.9115 31.2839 177.4597 64 N 4.7391 8.1627 111.4795 53.4387 37.4485 174.5448 65 M 4.7463 7.8228 118.9691 54.9303 33.2512 175.5292 66 T 4.9477 8.3805 110.1428 60.1758 72.7235 172.0472 67 F 5.0559 8.7245 126.4684 56.8820 40.9257 174.5394 68 T 4.4560 8.4457 123.1628 61.5774 71.1996 173.7081 69 K 4.5772 8.6006 126.4389 55.4813 32.2362 176.3141 70 T 4.3130 8.0421 114.8258 60.8267 68.9301 174.1405 71 S 4.5152 7.2528 115.1966 59.0534 64.9837 175.8062 72 Q 4.5388 8.1088 118.7700 56.0483 28.5839 177.1127 73 K 4.8199 8.0708 113.6512 56.0288 35.6114 175.3736 74 F 5.3075 8.2971 122.6518 56.7041 43.1557 173.3555 75 G 4.0923 8.0332 110.8130 45.1737 0.0000 171.0029 76 Q 5.4586 8.2034 117.6826 55.0120 32.7035 173.3083 77 W 5.7365 9.1136 114.9039 55.8632 31.8102 173.3984 78 A 4.7013 8.9326 124.0611 51.2209 20.1454 176.5336 79 D 4.8357 8.8651 120.6816 52.6129 43.1454 176.5641 80 S 4.1685 9.0448 122.7501 61.7774 63.2804 176.4103 81 R 4.0571 8.3718 117.4156 59.4921 29.7952 178.0455 82 A 4.0699 8.3414 118.3541 52.8106 18.9779 176.6145 83 N 4.0986 7.6903 113.7092 52.7374 37.2906 172.4981 84 T 3.9367 6.5779 113.1956 61.3394 71.5938 171.4209 85 V 4.4713 7.4136 125.0870 61.0703 34.3354 174.1301 86 F 5.3671 8.2666 125.9084 55.6841 41.6863 174.8360 87 G 4.0084 9.3764 109.4524 44.2100 0.0000 171.2788 88 L 5.1089 8.2166 123.9213 52.5176 44.9695 175.5515 89 G 4.5426 9.0653 111.1343 44.7350 0.0000 172.6998 90 F 5.2868 9.6215 125.1810 56.0352 40.9603 176.4912 91 S 4.6028 8.9631 114.3050 59.2802 63.8158 174.7846 92 S 4.7304 7.8435 115.4431 56.1573 67.0652 174.8262 93 E 4.7442 8.8241 124.9896 59.0752 29.2316 179.3440 94 L 3.9469 7.9258 119.8501 58.2190 42.0551 178.9270 95 Q 4.0206 7.9110 117.3836 58.9806 28.7001 178.3299 96 L 2.5825 7.0521 121.1136 58.2625 41.9218 179.2305 97 T 3.8192 8.1488 115.8145 66.6158 68.3620 176.8795 98 K 3.8961 8.2265 120.4915 58.9610 32.0647 179.3625 99 F 3.6066 8.3776 121.2784 61.0933 39.4953 177.2150 100 A 3.5690 8.1001 120.4851 54.5762 18.0921 179.3346 101 E 3.6772 7.6796 117.7011 59.4774 29.7453 179.0919 102 K 3.3468 7.2093 118.4362 59.0321 31.8091 178.9730 103 F 3.5975 7.5278 120.7761 61.1063 39.1273 176.9155 104 Q 3.9561 7.8345 118.5882 59.3155 28.8896 177.7453 105 E 3.7295 7.7950 119.3967 59.5818 29.3035 179.3320 106 V 2.8356 7.2675 117.1411 66.1560 31.7135 177.8215 107 R 3.8837 7.7478 118.0757 59.3838 29.7059 178.3670 108 E 3.9840 8.3690 118.3991 58.7859 29.2056 178.4872 109 A 4.2174 7.6880 118.9275 53.3592 18.8477 178.3884 110 A 4.3428 7.4939 117.8443 53.0629 19.1766 177.5273 111 R 4.0509 7.3998 119.7428 56.5193 30.1063 176.4757 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 E 8.44 4.35 0.00 2.00 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 2.23 2.36 0.00 4 Q 7.72 4.52 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 5 P 0.00 4.48 0.00 1.92 1.22 0.00 3.66 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 1.94 2.16 0.00 6 I 7.54 3.87 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 0.82 0.00 0.00 7 F 7.66 4.97 0.00 2.89 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 8 T 7.12 4.86 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 1.03 0.00 0.00 9 T 8.72 4.57 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 1.61 0.00 0.00 10 R 8.27 5.19 0.00 1.67 1.72 0.00 3.27 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 11 A 8.58 4.29 0.40 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 12 H 8.73 4.78 0.00 3.34 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.19 4.76 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 1.00 0.00 0.00 0.83 0.00 0.00 14 F 9.44 5.47 0.00 2.88 3.23 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 0.00 15 Q 9.60 5.36 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 16 I 7.77 4.35 1.52 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.02 0.61 0.00 0.00 *23 N 8.49 4.27 0.00 2.64 2.75 0.00 0.00 7.06 7.95 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 24 W 8.32 4.73 0.00 3.31 3.20 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 0.00 25 V 9.00 4.86 2.19 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 1.14 0.00 0.00 1.04 0.00 0.00 26 P 0.00 4.35 0.00 1.98 2.00 0.00 3.89 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 27 A 9.00 4.73 1.28 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 28 S 7.45 4.54 0.00 3.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.70 4.01 0.00 1.74 1.90 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.53 7.81 30 Q 7.14 4.59 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 31 A 8.33 3.98 1.09 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 32 V 8.71 4.48 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 0.71 0.00 0.00 0.88 0.00 0.00 33 T 8.31 4.66 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 1.26 0.00 0.00 34 V 9.15 4.52 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 1.19 0.00 0.00 0.85 0.00 0.00 35 S 8.91 5.20 0.00 3.56 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 36 Y 8.69 5.01 0.00 2.86 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.43 5.15 0.00 2.97 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 38 Y 8.76 4.54 0.00 2.64 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 39 D 9.02 4.29 0.00 2.66 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 40 V 7.71 2.81 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 0.67 0.00 0.00 0.68 0.00 0.00 41 T 7.67 3.92 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 1.13 0.00 0.00 42 R 7.93 4.08 0.00 1.78 2.01 0.00 3.57 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 43 N 7.77 4.27 0.00 2.92 2.95 0.00 0.00 6.76 7.72 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 44 S 7.41 4.74 0.00 3.95 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 45 Y 8.68 5.16 0.00 2.98 3.01 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 46 R 9.26 5.14 0.00 1.88 1.81 0.00 3.12 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 47 I 9.23 4.59 1.83 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.06 0.91 0.00 0.00 48 I 9.05 5.15 2.19 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 1.19 1.41 0.95 0.00 0.00 49 S 9.08 5.00 0.00 3.86 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 50 V 8.53 4.90 2.17 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 0.76 0.00 0.00 0.94 0.00 0.00 51 D 9.27 4.40 0.00 2.61 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 52 G 8.26 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 0.00 0.00 0.00 53 A 8.73 4.43 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 54 K 7.77 4.57 0.00 1.75 1.70 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.33 7.81 55 V 8.25 4.55 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 0.79 0.00 0.00 1.03 0.00 0.00 56 I 8.24 4.27 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 1.30 0.67 1.00 0.00 0.00 57 I 7.55 4.28 1.86 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 0.58 0.89 0.74 0.00 0.00 58 N 8.40 5.59 0.00 2.73 2.75 0.00 0.00 7.00 7.63 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 59 S 8.89 5.11 0.00 4.22 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 60 T 8.73 4.80 4.34 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 1.28 0.00 0.00 61 I 8.70 4.25 1.70 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.22 0.20 0.00 0.00 62 T 8.35 4.66 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 1.28 0.00 0.00 63 P 0.00 4.22 0.00 2.09 2.19 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 64 N 8.16 4.74 0.00 2.89 2.97 0.00 0.00 5.98 7.66 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 65 M 7.82 4.75 0.00 2.44 2.41 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.72 0.00 66 T 8.38 4.95 4.33 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 0.00 0.00 0.00 1.32 0.00 0.00 67 F 8.72 5.06 0.00 1.51 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 68 T 8.45 4.46 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 1.18 0.00 0.00 69 K 8.60 4.58 0.00 1.65 2.05 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.53 7.81 70 T 8.04 4.31 4.32 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 1.33 0.00 0.00 71 S 7.25 4.52 0.00 3.82 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 72 Q 8.11 4.54 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 73 K 8.07 4.82 0.00 1.79 1.99 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.44 7.81 74 F 8.30 5.31 0.00 3.05 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 75 G 8.03 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 76 Q 8.20 5.46 0.00 2.45 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 77 W 9.11 5.74 0.00 3.79 3.44 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 0.00 78 A 8.93 4.70 1.31 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 0.00 0.00 79 D 8.87 4.84 0.00 3.05 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 80 S 9.04 4.17 0.00 3.97 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 81 R 8.37 4.06 0.00 2.03 2.09 0.00 3.41 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 82 A 8.34 4.07 1.41 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 0.00 0.00 0.00 83 N 7.69 4.10 0.00 2.92 2.79 0.00 0.00 6.96 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 84 T 6.58 3.94 4.02 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 0.00 0.00 0.80 0.00 0.00 85 V 7.41 4.47 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 1.04 0.00 0.00 0.76 0.00 0.00 86 F 8.27 5.37 0.00 1.51 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 0.00 0.00 0.00 0.00 87 G 9.38 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 0.00 0.00 0.00 88 L 8.22 5.11 0.00 1.45 0.87 0.36 0.49 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 89 G 9.07 4.54 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 0.00 0.00 0.00 90 F 9.62 5.29 0.00 2.90 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 91 S 8.96 4.60 0.00 4.04 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 92 S 7.84 4.73 0.00 4.20 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 93 E 8.82 4.74 0.00 2.05 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 2.60 2.26 0.00 94 L 7.93 3.95 0.00 1.69 1.69 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.91 4.02 0.00 2.42 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 96 L 7.05 2.58 0.00 1.26 1.67 1.14 1.21 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 97 T 8.15 3.82 4.36 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 1.17 0.00 0.00 98 K 8.23 3.90 0.00 2.04 1.82 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.60 7.81 99 F 8.38 3.61 0.00 3.31 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 0.00 100 A 8.10 3.57 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 0.00 101 E 7.68 3.68 0.00 2.10 1.66 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 2.17 2.24 0.00 102 K 7.21 3.35 0.00 0.79 0.74 0.00 1.14 0.00 0.00 1.21 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.55 0.43 7.81 103 F 7.53 3.60 0.00 2.63 2.84 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 0.00 0.00 0.00 0.00 104 Q 7.83 3.96 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.65 0.00 105 E 7.80 3.73 0.00 1.83 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 2.15 2.29 0.00 106 V 7.27 2.84 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 0.41 0.00 0.00 0.13 0.00 0.00 107 R 7.75 3.88 0.00 1.92 2.00 0.00 3.50 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 108 E 8.37 3.98 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 2.28 2.56 0.00 109 A 7.69 4.22 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 0.00 110 A 7.49 4.34 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 0.00 111 R 7.40 4.05 0.00 1.95 1.86 0.00 3.19 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 * Residues marked with a * may have inaccurate shift predictions.