NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4831 8.1749 117.3743 63.4591 70.1556 172.8611 2 S 4.6466 9.9213 122.1838 54.9469 66.0330 171.6055 3 I 5.2285 8.1924 118.1624 59.5902 41.0942 173.9717 4 M 4.9039 8.7539 119.7305 54.4295 34.9578 173.1827 5 A 5.1563 8.4181 120.6829 50.3164 22.4931 175.6170 6 V 4.4842 9.0020 122.2717 61.1500 34.5312 175.2252 7 T 4.6792 8.7572 118.4245 61.5523 69.9618 173.5112 8 F 4.8767 8.7198 117.1585 55.4673 41.1413 174.6895 9 K 3.7365 9.0121 121.1836 60.0353 31.5822 176.8950 10 D 4.5853 7.6901 114.2686 53.6785 42.9161 176.0257 11 G 4.3371 5.5054 113.0159 44.6774 0.0000 176.1421 12 V 5.1379 8.0632 117.2594 60.5744 33.9955 172.6648 13 I 4.6966 8.7622 121.9730 59.6114 40.8931 174.2485 14 L 5.1728 8.5826 125.5922 53.0739 44.0151 175.9730 15 G 4.3470 9.0364 109.0846 44.9981 0.0000 170.9995 16 A 5.1523 8.1544 120.0560 50.9953 22.1102 176.0019 17 D 4.7541 8.4520 120.3765 52.3279 41.7981 176.3786 18 S 4.8545 8.3831 110.4976 58.1385 64.6004 172.8090 19 R 4.9625 8.6602 121.5089 55.6856 31.3057 175.5246 20 T 4.7425 8.8915 116.6517 60.0966 71.3261 173.0301 21 T 5.0823 8.6665 116.0885 59.9214 71.7856 174.3398 22 T 4.4407 8.7424 112.8389 60.6021 70.2292 174.2424 23 G 4.1859 8.4856 120.1301 46.7821 0.0000 172.7182 24 A 4.4166 8.6058 126.7242 52.1057 19.5130 176.3081 25 Y 4.4568 7.6474 118.3572 56.5437 39.6664 174.7804 26 I 4.2047 7.3244 127.8219 59.7471 36.5086 175.4241 27 A 4.0084 8.1465 130.1290 54.3841 18.6698 177.6306 28 N 4.8292 7.7793 114.5594 52.4487 41.8399 174.6360 29 R 4.5429 8.5954 120.7971 56.3461 30.4403 176.2952 30 V 4.5985 7.8286 112.3059 61.2957 32.3874 176.2602 31 T 3.9893 8.2612 116.6139 64.0686 69.3710 174.1873 32 D 4.8338 8.6086 123.9178 52.9117 42.1113 175.7657 33 K 4.3471 8.6938 125.2074 56.9854 33.6966 176.5193 34 L 4.5870 8.0996 120.9255 54.4256 42.1369 176.2560 35 T 4.5407 9.1102 122.1408 61.5365 71.1222 174.0219 36 R 3.2956 7.9411 126.7732 55.0783 30.5329 176.0773 37 V 4.1383 7.7980 118.2078 61.6980 33.2125 174.8466 38 H 4.6468 7.6653 117.5193 55.1105 32.3402 173.5559 39 D 4.4886 8.2184 122.5232 57.1797 40.8322 180.0058 40 K 5.0044 8.0476 117.2837 56.1349 33.6101 175.8463 41 I 5.0795 8.3694 121.4482 59.9529 40.7679 174.9855 42 W 5.3088 9.5553 127.2434 55.0097 33.0781 174.3971 43 C 5.2612 9.5399 114.6475 57.3605 33.0860 172.6093 44 C 5.3561 8.9752 118.0005 57.4403 30.3905 173.1478 45 R 5.1374 8.6030 121.9484 54.7004 31.9517 175.5612 46 S 4.4940 8.9246 115.7503 57.8688 66.5816 172.8783 47 G 4.2533 8.8472 105.2763 44.1158 0.0000 173.7081 48 S 4.1460 9.3436 117.7666 57.9571 63.0300 175.4884 49 A 4.0792 8.8433 129.9216 55.1434 18.1834 179.1375 50 A 3.9438 7.9296 118.7937 55.3598 18.4706 179.4756 51 D 4.2990 8.3826 117.8216 57.8671 40.9966 179.2192 52 T 3.9517 8.4337 110.6265 64.8385 68.5786 176.5969 53 Q 3.9984 8.2382 120.7800 58.7565 28.8094 178.3699 54 A 3.9949 8.0858 121.8223 55.0758 18.3155 179.7855 55 I 3.5776 8.1356 118.2956 64.4726 37.2614 178.2772 56 A 4.0210 8.4723 121.9126 55.5481 18.2156 179.3341 57 D 4.3381 8.3879 117.4679 57.6660 40.7990 179.2930 58 I 3.7631 7.7212 120.1751 64.1899 37.0856 178.5826 59 V 3.3952 7.9434 119.5348 65.9880 31.2057 177.6260 60 Q 4.1638 8.2914 120.9740 58.7233 28.7977 177.8305 61 Y 4.0468 7.9010 120.2703 61.1749 38.7947 177.9227 62 H 3.8501 8.3518 117.1880 58.7939 28.7022 177.8876 63 L 3.9832 8.3550 121.2422 57.4047 41.3752 179.1734 64 E 3.9056 8.2897 119.7350 59.2207 29.2264 178.6787 65 L 3.8447 7.6464 120.3733 57.7950 41.9390 178.3498 66 Y 3.8704 8.0232 119.8549 60.8460 38.5842 177.8316 67 T 4.4874 7.9304 116.8384 66.4703 68.7207 176.2141 68 S 4.1439 7.6435 115.2621 61.3528 62.8351 176.0809 69 Q 4.0743 6.9521 118.3091 56.5357 29.4320 176.0742 70 Y 4.4577 7.5470 114.9340 57.6675 39.5004 175.1507 *72 G 4.0938 7.5499 108.8926 45.0764 0.0000 172.1921 73 T 4.2120 8.5807 115.0764 63.7099 68.6784 172.4753 74 P 4.6311 0.0000 0.0000 61.7867 32.8475 176.6223 75 S 4.4003 8.1375 115.0221 58.3959 64.8146 175.4791 76 T 3.9055 8.3588 119.6271 66.7442 68.1844 176.5228 77 E 3.9675 8.0895 120.9370 59.5644 29.8101 178.8688 78 T 3.8041 7.8437 115.6484 66.3869 68.5134 176.5986 79 A 3.9404 8.0054 122.5847 55.1541 18.4093 179.5757 80 A 4.1424 8.3050 119.4065 55.2891 18.3013 179.8590 81 S 4.0377 8.0644 111.9615 61.4848 62.5249 176.5889 82 V 3.5204 7.7594 120.8376 65.7838 31.1488 177.9729 83 F 3.9530 8.1263 117.4046 60.3830 38.7651 177.2599 84 K 3.9204 8.3401 119.2220 59.7129 32.1039 177.9347 85 E 3.9915 8.3886 119.4912 59.6295 29.0323 178.9797 86 L 4.0469 7.8922 118.4742 58.1027 41.4798 179.3676 87 C 4.3073 8.3104 115.9317 62.7343 28.3840 175.3533 88 Y 4.2456 8.8677 121.6763 60.8140 38.3506 177.3600 89 E 3.8535 8.0953 119.0393 58.4669 29.7026 177.0343 90 N 5.0406 7.7021 115.0996 52.3564 39.3703 176.6930 91 K 3.7922 7.7946 120.7341 60.0735 32.8571 177.9758 92 D 4.2900 7.9518 119.0955 57.1674 40.9302 177.4606 *94 N 5.1423 7.8729 113.1880 52.5508 40.0841 173.6946 95 L 5.0915 7.4043 116.9285 53.4675 45.3872 176.9362 96 T 4.7028 8.5405 116.8666 61.5041 70.0806 171.3282 97 A 4.9925 8.3318 124.8384 49.9064 22.7950 175.2308 98 G 4.1320 9.4038 110.2644 43.6681 0.0000 172.0596 99 I 5.0381 8.3553 126.4664 59.2150 40.4310 175.1330 100 I 4.2909 8.4016 127.3980 59.6368 39.1122 174.6295 101 V 4.6251 8.2592 127.1679 61.2601 33.0677 174.8246 102 A 4.8017 9.2327 129.0529 50.3598 22.2912 175.0411 103 G 4.5966 8.6868 107.5687 45.1937 0.0000 171.2522 104 Y 4.6972 8.8375 122.6415 55.4545 40.7093 175.2562 105 D 4.3133 7.8526 124.9114 54.2025 41.5117 175.3500 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 1 T 8.17 4.48 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 2 S 9.92 4.65 0.00 3.71 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 3 I 8.19 5.23 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 0.65 0.92 0.00 0.00 4 M 8.75 4.90 0.00 2.08 2.14 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 2.47 2.48 0.00 5 A 8.42 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 6 V 9.00 4.48 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 1.10 0.00 0.00 0.93 0.00 0.00 7 T 8.76 4.68 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 1.24 0.00 0.00 8 F 8.72 4.88 0.00 3.28 3.13 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 9 K 9.01 3.74 0.00 1.81 2.07 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.52 7.81 10 D 7.69 4.59 0.00 2.49 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 11 G 5.51 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 12 V 8.06 5.14 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 0.77 0.00 0.00 1.05 0.00 0.00 13 I 8.76 4.70 1.80 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.82 0.00 0.00 14 L 8.58 5.17 0.00 1.43 1.56 0.93 0.95 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 15 G 9.04 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 0.00 0.00 0.00 0.00 16 A 8.15 5.15 1.20 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 0.00 0.00 17 D 8.45 4.75 0.00 2.72 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 18 S 8.38 4.85 0.00 3.95 4.04 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 0.00 0.00 0.00 19 R 8.66 4.96 0.00 1.80 2.02 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 20 T 8.89 4.74 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 1.21 0.00 0.00 21 T 8.67 5.08 4.47 0.00 0.00 0.00 0.00 0.00 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 22 T 8.74 4.44 4.31 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 1.26 0.00 0.00 23 G 8.49 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 24 A 8.61 4.42 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 25 Y 7.65 4.46 0.00 3.04 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 26 I 7.32 4.20 1.57 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 1.24 0.55 0.82 0.00 0.00 27 A 8.15 4.01 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 28 N 7.78 4.83 0.00 2.51 2.59 0.00 0.00 6.75 7.53 0.00 0.00 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 R 8.60 4.54 0.00 1.90 1.94 0.00 3.00 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 30 V 7.83 4.60 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 0.70 0.00 0.00 1.01 0.00 0.00 31 T 8.26 3.99 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 1.23 0.00 0.00 32 D 8.61 4.83 0.00 2.70 2.62 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 33 K 8.69 4.35 0.00 1.78 1.85 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.48 7.81 34 L 8.10 4.59 0.00 1.91 1.89 0.90 0.64 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 35 T 9.11 4.54 4.31 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 1.20 0.00 0.00 36 R 7.94 3.30 0.00 0.67 1.11 0.00 3.07 0.00 0.00 2.87 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 37 V 7.80 4.14 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 0.98 0.00 0.00 1.11 0.00 0.00 38 H 7.67 4.65 0.00 3.14 3.14 0.00 5.91 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 39 D 8.22 4.49 0.00 2.71 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 40 K 8.05 5.00 0.00 1.86 1.99 0.00 1.80 0.00 0.00 2.06 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.57 7.81 41 I 8.37 5.08 2.00 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 1.34 0.82 1.03 0.00 0.00 42 W 9.56 5.31 0.00 3.23 3.28 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 43 C 9.54 5.26 0.00 2.76 2.90 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 0.00 0.00 0.00 44 C 8.98 5.36 0.00 2.85 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 45 R 8.60 5.14 0.00 1.70 1.85 0.00 3.17 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 46 S 8.92 4.49 0.00 3.88 3.90 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 0.00 0.00 0.00 47 G 8.85 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 0.00 0.00 0.00 0.00 48 S 9.34 4.15 0.00 3.83 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 49 A 8.84 4.08 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 50 A 7.93 3.94 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 51 D 8.38 4.30 0.00 2.86 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 52 T 8.43 3.95 4.31 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 1.30 0.00 0.00 53 Q 8.24 4.00 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 54 A 8.09 3.99 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 55 I 8.14 3.58 2.17 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.01 1.02 0.00 0.00 56 A 8.47 4.02 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.39 4.34 0.00 2.89 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 58 I 7.72 3.76 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 1.36 0.71 1.00 0.00 0.00 59 V 7.94 3.40 1.71 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 0.59 0.00 0.00 -0.14 0.00 0.00 60 Q 8.29 4.16 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 61 Y 7.90 4.05 0.00 3.09 3.13 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 62 H 8.35 3.85 0.00 3.31 3.27 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 63 L 8.35 3.98 0.00 1.60 1.57 0.92 0.53 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 64 E 8.29 3.91 0.00 2.05 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 2.24 2.29 0.00 65 L 7.65 3.84 0.00 1.32 1.45 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.02 3.87 0.00 3.28 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 67 T 7.93 4.49 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 1.28 0.00 0.00 68 S 7.64 4.14 0.00 3.86 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 69 Q 6.95 4.07 0.00 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 70 Y 7.55 4.46 0.00 2.27 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 *72 G 7.55 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 73 T 8.58 4.21 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 1.31 0.00 0.00 74 P 0.00 4.63 0.00 1.74 1.24 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 1.79 1.68 0.00 75 S 8.14 4.40 0.00 4.04 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 76 T 8.36 3.91 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 1.27 0.00 0.00 77 E 8.09 3.97 0.00 2.01 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 2.36 2.38 0.00 78 T 7.84 3.80 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 0.74 0.00 0.00 79 A 8.01 3.94 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 80 A 8.31 4.14 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 81 S 8.06 4.04 0.00 4.03 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 82 V 7.76 3.52 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 0.79 0.00 0.00 0.87 0.00 0.00 83 F 8.13 3.95 0.00 3.36 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 84 K 8.34 3.92 0.00 1.95 2.04 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.65 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.48 1.60 7.81 85 E 8.39 3.99 0.00 2.31 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 2.32 2.46 0.00 86 L 7.89 4.05 0.00 1.97 1.73 0.83 0.94 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 87 C 8.31 4.31 0.00 3.05 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 88 Y 8.87 4.25 0.00 2.96 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 89 E 8.10 3.85 0.00 2.34 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 2.37 2.34 0.00 90 N 7.70 5.04 0.00 2.98 2.74 0.00 0.00 6.60 7.56 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 91 K 7.79 3.79 0.00 1.86 2.09 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.32 7.81 92 D 7.95 4.29 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 5.14 0.00 2.73 2.88 0.00 0.00 7.06 7.85 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 95 L 7.40 5.09 0.00 1.64 1.54 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.54 4.70 4.26 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 1.22 0.00 0.00 97 A 8.33 4.99 1.22 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 0.00 0.00 98 G 9.40 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 0.00 0.00 0.00 99 I 8.36 5.04 1.68 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 0.27 0.00 0.00 100 I 8.40 4.29 1.84 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 1.08 0.79 0.89 0.00 0.00 101 V 8.26 4.63 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 0.88 0.00 0.00 0.49 0.00 0.00 102 A 9.23 4.80 1.25 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 0.00 0.00 103 G 8.69 4.60 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 0.00 0.00 0.00 104 Y 8.84 4.70 0.00 2.99 2.90 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 0.00 0.00 0.00 105 D 7.85 4.31 0.00 2.48 2.24 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 * Residues marked with a * may have inaccurate shift predictions.