NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3007 0.0000 0.0000 62.8243 32.6902 179.1330 8 A 4.3922 8.7819 115.5559 49.5716 17.8775 176.0455 9 T 3.8328 8.0876 119.2897 63.1166 70.4990 173.1348 10 A 4.1959 8.4700 128.8248 52.0560 19.2163 176.6218 11 L 4.8902 8.0760 120.9259 52.9794 43.6336 176.3294 12 N 4.7020 9.1663 120.5085 53.8660 39.1809 174.8383 13 T 4.8494 8.3308 119.5374 61.5106 72.7458 173.2415 14 V 4.0135 8.7830 126.2857 63.4213 31.2723 175.6981 15 T 4.1924 9.0066 126.4862 66.3738 69.0362 174.8824 16 A 4.4665 7.3909 120.2451 51.0332 23.0048 174.4965 17 Y 4.8945 8.7120 115.7188 56.4396 41.9203 175.3638 18 G 2.9935 8.5366 110.6860 43.2783 0.0000 171.4711 19 D 4.3880 8.2841 118.6596 57.1287 40.3062 175.8851 20 G 4.1183 10.4717 115.3370 44.8860 0.0000 170.9538 21 Y 5.1560 7.4534 115.9071 56.0780 41.7316 173.3907 22 I 4.8237 8.7026 121.2541 59.5706 40.8723 174.0032 23 E 5.1408 9.4858 127.8168 54.6145 31.6407 174.5050 24 V 4.3626 9.0895 127.4475 61.5973 34.3521 175.2325 25 N 4.2595 9.9051 125.2910 54.5925 36.6343 174.5202 26 Q 4.0566 8.2028 111.8633 56.7321 26.9444 173.4963 27 V 4.3676 7.7879 117.8137 61.0363 34.5088 174.8430 28 R 4.7781 8.4271 126.7513 55.9752 31.3236 175.7902 29 F 4.8721 9.5646 121.9784 55.6539 42.2575 175.7853 30 S 4.8228 9.1667 116.2015 58.0071 63.7397 173.0363 31 H 5.0626 7.9470 115.2858 53.2316 31.3219 173.2325 32 A 5.1751 8.7201 121.9716 52.0422 19.5421 176.4981 33 I 5.3655 8.4016 112.9141 59.5591 42.1250 173.5348 34 A 4.8741 8.8397 123.1362 50.5717 22.7824 175.2104 35 F 4.7913 7.6558 113.2425 56.5632 41.6698 172.5365 36 A 5.2701 8.5974 121.2554 49.4901 21.7138 174.8222 37 P 4.9971 0.0000 0.0000 64.8676 31.5487 177.0059 38 E 4.7615 8.0821 115.4158 55.4512 31.4825 175.6994 39 G 3.8222 8.6533 106.7304 44.0764 0.0000 171.1738 40 P 4.4635 0.0000 0.0000 61.6484 32.3202 176.4711 41 V 3.9986 7.9659 119.9464 61.9295 31.3249 175.2000 42 A 4.6793 8.7443 130.7592 50.9822 20.5003 176.2591 43 S 4.9380 8.6372 114.4866 57.7245 64.6073 173.3826 44 W 4.8405 8.7848 132.8121 54.4618 32.2244 174.7552 45 P 4.5693 0.0000 0.0000 62.2956 28.6527 175.6831 46 V 4.2575 6.7308 116.9436 61.6226 34.9231 173.5432 47 Q 4.4605 8.4974 123.7335 56.4450 32.0913 175.8196 48 R 4.6459 8.2331 116.2639 53.3812 33.1163 178.7100 49 P 3.6316 0.0000 0.0000 64.5138 31.1624 177.3313 50 A 4.1092 7.8559 121.3890 54.4174 18.5127 177.3116 51 D 4.8000 8.6145 115.4001 53.2888 39.9373 176.1769 52 I 4.0783 7.6136 121.1679 61.4164 38.2015 175.9688 53 T 4.8768 8.0842 114.8501 59.1507 72.9997 174.5147 54 A 4.3461 8.6116 125.2455 54.9896 17.8632 180.1487 55 S 4.0738 8.0603 110.9670 61.5211 62.6276 176.2666 56 L 4.1980 7.8926 121.6382 57.6950 41.4396 179.3484 57 L 4.2368 8.5774 119.4980 57.9949 41.5558 179.5826 58 Q 4.0667 8.4467 118.1192 58.7080 28.4216 178.3414 59 Q 4.1146 7.8298 119.5275 58.7958 29.1389 177.7350 60 A 3.9513 7.8453 120.7957 55.0793 18.6997 179.2384 61 A 4.1033 8.1791 119.5010 54.8202 18.2695 179.5795 62 G 4.0573 8.3465 105.3396 46.3955 0.0000 174.7643 63 L 4.2031 7.6116 121.6124 52.7120 39.7348 176.4830 64 A 3.4438 8.1377 130.6170 51.2956 15.3188 178.0967 *88 A 4.2789 8.2017 122.7736 51.7698 20.5885 174.6612 89 P 4.8920 0.0000 0.0000 60.3952 33.7315 175.0861 90 E 4.1069 9.3496 123.4959 58.9267 30.3434 176.5046 91 V 4.7041 7.6204 118.3948 60.8282 35.6622 173.2745 92 L 4.7065 8.9365 129.7248 53.3479 43.8289 175.0145 93 L 4.7572 8.6161 127.7170 54.0897 43.5412 176.3329 94 V 4.4966 9.2032 123.4081 61.0413 34.5017 174.7069 95 G 4.1722 9.6742 118.4537 44.8879 0.0000 173.0753 96 T 4.7743 8.4626 118.3969 61.3897 70.0162 175.3983 97 G 4.3842 8.2281 109.4718 45.8427 0.0000 176.2941 98 R 3.9915 7.7692 118.2215 58.9012 30.2807 177.0682 99 R 4.7376 7.4385 113.7935 53.8647 34.3464 174.2633 100 Q 4.1910 8.3478 119.4097 55.9596 29.6541 174.9231 101 H 4.7401 8.3715 121.8493 54.0550 32.5988 172.7413 102 L 4.0778 8.4165 129.2249 54.9378 42.5663 175.6892 103 L 4.5468 8.4095 126.0277 53.3683 43.1551 176.8341 104 G 3.9977 8.3719 112.2708 43.5022 0.0000 172.4457 105 P 4.1845 0.0000 0.0000 66.6221 30.8301 178.6897 106 E 4.2021 8.1015 111.7780 57.1000 30.2601 179.8419 107 Q 4.3786 8.5752 117.5598 59.0970 29.3943 177.7147 108 V 3.9405 7.5665 117.2402 64.1729 31.8642 178.0147 109 R 3.8839 8.2203 118.4126 59.0917 29.7492 176.6192 110 P 4.2253 0.0000 0.0000 65.8591 31.5973 178.0580 111 L 4.1441 7.9245 116.7632 58.0051 41.3983 179.5380 112 L 4.2617 7.8015 118.4778 56.7822 41.5910 180.1201 113 A 4.2431 8.1899 121.2854 51.7865 18.6079 178.2909 *115 G 3.7478 7.9004 107.6760 46.4295 0.0000 173.2522 116 V 4.0559 8.0027 121.4669 61.5176 33.0107 174.9820 117 G 4.3427 8.5155 116.0325 44.8120 0.0000 172.7685 118 V 5.1256 8.3360 123.0947 59.7979 34.5614 174.9416 119 E 4.6724 9.0194 121.0547 54.8977 33.0840 174.6927 120 A 5.8833 8.9096 126.2404 49.6770 21.4659 175.7717 *122 D 4.4881 8.3471 117.8957 53.1719 40.9530 176.7986 123 T 3.8946 9.5734 118.7201 67.2665 68.4264 177.0640 124 Q 4.1139 8.1357 118.9678 58.7154 28.6060 178.5836 125 A 4.0092 7.9222 120.5951 54.6879 18.4705 179.3169 126 A 3.9622 8.0528 119.1468 55.3495 18.5185 179.5633 127 A 4.0271 8.1553 119.1021 55.6266 18.3958 179.9353 128 R 4.1213 8.0860 116.7091 59.9443 30.1755 178.8302 129 T 3.9721 8.7257 116.2290 66.2260 68.4406 176.3635 130 Y 3.9261 8.2580 122.1081 60.7195 38.6592 177.3825 131 N 4.2310 8.0723 115.9931 56.4604 38.9448 177.2390 132 I 3.8803 7.4849 120.9605 64.2587 37.1737 180.0061 133 L 3.6899 7.6758 117.4849 55.2330 41.3453 179.0466 *135 A 4.1774 8.0028 124.0484 51.9216 20.2850 178.0387 136 E 4.3945 8.1867 112.0899 55.6971 29.7868 176.2800 137 G 3.9113 7.8180 105.3640 47.2598 0.0000 174.3118 138 R 4.3510 8.0550 119.5213 55.5277 32.1607 178.9174 139 R 4.4285 8.4376 121.8987 56.0290 29.0848 176.3343 140 V 4.9219 8.0631 123.9062 59.1092 34.4473 175.2949 141 V 4.7237 8.4603 122.2984 61.0780 35.1758 174.5051 142 V 4.6912 8.1083 124.3748 59.6720 34.8778 173.9592 143 A 4.6075 8.5715 125.1450 49.8468 21.6966 174.9746 144 L 5.2355 8.8229 122.0428 52.9479 46.0626 175.4908 145 L 5.0376 8.9060 124.1629 52.6092 43.5208 175.1646 146 P 4.5890 0.0000 0.0000 63.1612 32.0106 176.9127 147 D 4.8351 8.6941 117.0372 53.9812 39.7690 169.7199 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 7 P 0.00 4.30 0.00 2.20 1.49 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 8 A 8.78 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 9 T 8.09 3.83 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 10 A 8.47 4.20 1.24 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 0.00 0.00 11 L 8.08 4.89 0.00 1.68 1.67 1.00 1.05 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 12 N 9.17 4.70 0.00 2.92 2.52 0.00 0.00 6.73 8.17 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 13 T 8.33 4.85 4.27 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 1.27 0.00 0.00 14 V 8.78 4.01 2.35 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 0.42 0.00 0.00 1.04 0.00 0.00 15 T 9.01 4.19 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 1.30 0.00 0.00 16 A 7.39 4.47 1.36 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 0.00 0.00 17 Y 8.71 4.89 0.00 2.72 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 18 G 8.54 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 0.00 0.00 0.00 19 D 8.28 4.39 0.00 2.65 2.68 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 0.00 0.00 0.00 0.00 20 G 10.47 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 21 Y 7.45 5.16 0.00 3.24 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 22 I 8.70 4.82 1.98 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 1.19 1.17 0.93 0.00 0.00 23 E 9.49 5.14 0.00 2.19 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 0.00 2.23 2.18 0.00 24 V 9.09 4.36 1.86 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 0.35 0.00 0.00 0.62 0.00 0.00 25 N 9.91 4.26 0.00 2.82 2.84 0.00 0.00 7.13 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 26 Q 8.20 4.06 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 27 V 7.79 4.37 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 0.57 0.00 0.00 0.90 0.00 0.00 28 R 8.43 4.78 0.00 1.51 1.67 0.00 2.75 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.38 0.00 29 F 9.56 4.87 0.00 2.98 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 30 S 9.17 4.82 0.00 4.02 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 0.00 31 H 7.95 5.06 0.00 3.32 3.35 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.72 5.18 1.64 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 33 I 8.40 5.37 1.79 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 0.69 0.00 0.00 34 A 8.84 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.66 4.79 0.00 3.02 2.93 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 36 A 8.60 5.27 1.33 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 0.00 0.00 0.00 37 P 0.00 5.00 0.00 2.24 2.17 0.00 3.92 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 38 E 8.08 4.76 0.00 1.97 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 2.26 2.31 0.00 39 G 8.65 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 0.00 0.00 0.00 40 P 0.00 4.46 0.00 2.07 2.00 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 41 V 7.97 4.00 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 -0.03 0.00 0.00 0.42 0.00 0.00 42 A 8.74 4.68 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 43 S 8.64 4.94 0.00 4.06 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 44 W 8.78 4.84 0.00 3.21 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 45 P 0.00 4.57 0.00 1.95 1.96 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 46 V 6.73 4.26 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 0.37 0.00 0.00 -0.29 0.00 0.00 47 Q 8.50 4.46 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.46 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 48 R 8.23 4.65 0.00 1.73 1.70 0.00 3.36 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 49 P 0.00 3.63 0.00 1.69 2.17 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 50 A 7.86 4.11 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 51 D 8.61 4.80 0.00 2.57 2.68 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 0.00 0.00 0.00 0.00 52 I 7.61 4.08 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 1.03 0.00 0.00 53 T 8.08 4.88 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 A 8.61 4.35 1.49 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 0.00 0.00 55 S 8.06 4.07 0.00 3.92 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 56 L 7.89 4.20 0.00 2.07 1.78 0.73 0.40 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 57 L 8.58 4.24 0.00 1.94 1.78 1.20 0.98 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 58 Q 8.45 4.07 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 59 Q 7.83 4.11 0.00 2.13 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 60 A 7.85 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.18 4.10 1.36 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 0.00 0.00 62 G 8.35 4.06 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 0.00 63 L 7.61 4.20 0.00 1.69 1.50 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.14 3.44 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 *88 A 8.20 4.28 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 89 P 0.00 4.89 0.00 2.00 1.93 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 90 E 9.35 4.11 0.00 2.17 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 2.29 2.24 0.00 91 V 7.62 4.70 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 0.97 0.00 0.00 0.90 0.00 0.00 92 L 8.94 4.71 0.00 1.68 1.46 0.75 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.62 4.76 0.00 1.74 1.50 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 94 V 9.20 4.50 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 1.09 0.00 0.00 0.89 0.00 0.00 95 G 9.67 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 0.00 0.00 0.00 96 T 8.46 4.77 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 97 G 8.23 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 0.00 0.00 0.00 0.00 98 R 7.77 3.99 0.00 1.77 1.99 0.00 3.21 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 99 R 7.44 4.74 0.00 1.79 1.78 0.00 3.27 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 100 Q 8.35 4.19 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 101 H 8.37 4.74 0.00 3.08 3.14 0.00 5.98 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.42 4.08 0.00 1.59 1.49 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.41 4.55 0.00 1.70 1.62 0.97 1.02 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 0.00 104 G 8.37 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 0.00 0.00 0.00 105 P 0.00 4.18 0.00 2.23 2.35 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 106 E 8.10 4.20 0.00 2.01 1.90 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 2.23 1.90 0.00 107 Q 8.58 4.38 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.72 0.00 108 V 7.57 3.94 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 1.09 0.00 0.00 0.95 0.00 0.00 109 R 8.22 3.88 0.00 2.04 1.96 0.00 3.22 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 110 P 0.00 4.23 0.00 2.21 2.13 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 111 L 7.92 4.14 0.00 1.86 1.86 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.80 4.26 0.00 1.65 1.73 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.19 4.24 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 *115 G 7.90 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 0.00 116 V 8.00 4.06 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 0.90 0.00 0.00 0.92 0.00 0.00 117 G 8.52 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 0.00 0.00 0.00 0.00 118 V 8.34 5.13 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 0.78 0.00 0.00 0.94 0.00 0.00 119 E 9.02 4.67 0.00 1.88 1.83 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 2.20 2.23 0.00 120 A 8.91 5.88 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 *122 D 8.35 4.49 0.00 3.07 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 0.00 123 T 9.57 3.89 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 1.30 0.00 0.00 124 Q 8.14 4.11 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 125 A 7.92 4.01 1.45 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 0.00 0.00 126 A 8.05 3.96 1.38 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 0.00 0.00 0.00 127 A 8.16 4.03 1.61 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 0.00 128 R 8.09 4.12 0.00 1.99 2.22 0.00 3.06 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 129 T 8.73 3.97 4.40 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 1.21 0.00 0.00 130 Y 8.26 3.93 0.00 3.02 3.25 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 0.00 131 N 8.07 4.23 0.00 3.03 2.94 0.00 0.00 7.14 7.45 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 0.00 132 I 7.48 3.88 1.99 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 0.68 0.89 0.00 0.00 133 L 7.68 3.69 0.00 1.53 1.58 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 *135 A 8.00 4.18 1.33 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 0.00 0.00 0.00 136 E 8.19 4.39 0.00 2.07 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 2.47 2.20 0.00 137 G 7.82 3.91 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 0.00 0.00 0.00 138 R 8.05 4.35 0.00 1.80 1.81 0.00 3.25 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.53 0.00 139 R 8.44 4.43 0.00 1.53 1.85 0.00 3.20 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 140 V 8.06 4.92 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 0.70 0.00 0.00 0.97 0.00 0.00 141 V 8.46 4.72 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 0.93 0.00 0.00 0.92 0.00 0.00 142 V 8.11 4.69 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 -0.81 0.00 0.00 0.69 0.00 0.00 143 A 8.57 4.61 -0.15 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 0.00 144 L 8.82 5.24 0.00 1.57 1.56 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.91 5.04 0.00 1.72 1.65 0.96 0.75 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 0.00 146 P 0.00 4.59 0.00 2.17 2.20 0.00 3.99 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 147 D 8.69 4.84 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.