NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3570 0.0000 0.0000 61.9459 32.9153 176.8001 9 A 3.8190 8.7633 124.4251 54.7240 18.2816 177.0534 10 N 4.8709 8.7222 111.5875 53.2275 41.1246 175.1707 11 S 4.1463 7.9008 116.0147 61.8813 62.8154 176.7213 12 T 3.9061 7.8064 117.9996 66.7303 68.4919 177.1313 13 V 3.5218 7.6485 120.5138 64.6617 31.4129 178.1982 14 L 3.8523 8.2614 120.1833 57.4198 40.8869 179.3204 15 S 4.1490 8.2822 113.3304 61.1483 62.1297 175.8199 16 F 4.3464 8.0561 122.4057 61.8275 39.4517 176.6807 17 C 3.8716 7.9666 115.7245 62.3360 27.6797 175.6991 18 A 3.6287 7.9522 123.0815 54.8578 17.8633 178.1627 19 F 4.5479 7.2447 109.7765 57.2619 39.4497 176.2012 20 A 4.2240 7.4214 124.9535 51.5949 18.8295 179.4390 21 V 3.6383 8.2280 113.2924 63.5721 32.0473 176.2268 22 D 4.7206 7.3751 116.1515 50.4672 41.6644 173.6000 23 P 4.2017 0.0000 0.0000 65.3080 31.5082 177.6789 24 A 3.9976 8.0360 118.7160 55.1639 18.2762 179.4740 25 K 3.9561 8.3150 117.5025 59.4504 32.2382 178.9604 26 A 4.0622 8.0539 121.3287 55.2390 18.1539 179.0296 27 Y 4.3489 8.2254 118.1522 60.6114 38.8408 177.8636 28 K 3.7428 8.2455 120.5995 59.7104 32.3245 178.4066 29 D 4.3837 8.4499 119.3328 57.5264 40.6950 178.0950 30 Y 4.1000 8.3411 119.9550 60.8588 38.7354 178.3716 31 L 3.5885 8.1385 119.7355 57.5646 41.4540 179.2058 32 A 3.9485 7.9908 120.1515 55.0448 18.2433 178.7452 33 S 4.5240 7.6734 111.6534 58.4899 63.0757 174.9374 34 G 3.7213 7.8858 109.0670 45.8214 0.0000 174.7930 35 G 2.4840 7.2108 107.8913 44.2105 0.0000 173.9676 36 Q 4.1392 8.3990 122.9068 54.5381 29.7474 174.3472 37 P 4.7149 0.0000 0.0000 62.5269 32.0728 176.1470 38 I 4.0043 8.7407 122.6297 61.8717 37.4988 176.1695 39 T 4.6491 8.7546 116.0954 61.0536 71.0816 174.1461 40 N 4.3524 8.8215 118.4293 54.8640 35.7320 174.2759 41 C 4.4114 8.0450 114.9634 59.7269 29.2214 173.2902 42 V 4.3796 8.9483 117.1213 60.1382 32.8887 175.2034 43 K 4.3349 8.6744 126.5649 55.5950 33.4475 175.4014 44 M 4.5304 8.6915 125.8918 53.7357 34.1285 175.8363 45 L 4.3858 8.3688 124.2306 53.6624 42.2878 174.8332 46 C 4.7813 8.0473 120.3009 56.7051 31.9313 173.5760 47 T 3.8349 8.4974 112.6801 64.2898 67.1874 174.8686 48 H 4.0691 8.4150 116.1541 57.0792 25.9838 175.0793 49 T 4.5411 7.3767 104.5829 61.3365 69.0543 174.2786 50 G 3.9607 8.1464 112.8045 45.2655 0.0000 174.6089 51 T 3.8115 9.3564 110.0555 62.9153 68.4914 175.8160 52 G 3.9612 8.4980 109.6591 45.4110 0.0000 173.8595 53 Q 4.1509 7.5170 117.9539 55.5433 29.5312 176.3786 54 A 3.8275 8.6428 122.8691 54.6351 18.9628 177.6210 55 I 5.0104 7.4059 116.2142 59.8370 40.1264 174.6871 56 T 4.8123 8.9414 116.8476 59.7289 72.1028 175.4990 57 V 4.1462 8.6078 114.6173 63.3908 32.0338 176.4229 58 T 4.6201 7.5112 107.8597 58.6523 71.7329 171.6905 59 P 4.1379 0.0000 0.0000 63.5921 31.6930 176.2764 60 E 4.6441 9.4320 121.5095 55.7042 31.1684 175.5408 61 A 4.4456 7.7178 122.6982 52.4725 19.2215 178.0094 62 N 5.1055 8.5629 118.1994 50.4213 39.8441 175.3355 63 M 4.3180 8.5853 116.3892 57.6798 32.1556 176.8447 64 D 4.8622 8.9077 118.8569 53.9356 41.2992 175.0726 65 Q 5.1532 7.9078 117.6663 54.1970 33.2038 174.1784 66 E 4.6995 8.9090 118.1184 54.9012 33.7500 175.3889 67 S 5.3224 8.3554 118.8733 57.1082 65.3645 173.1747 68 F 5.3004 9.4966 122.5211 55.2125 42.7626 174.6897 69 G 3.8185 9.5850 109.4947 46.2861 0.0000 174.2945 70 G 3.8749 9.0801 113.1366 48.2148 0.0000 175.3424 71 A 4.1039 8.0676 123.1594 54.7802 18.1573 179.5549 72 S 4.2260 7.7362 109.8283 60.6423 63.5018 175.3182 73 C 4.5345 8.4847 119.7664 58.5313 28.3979 172.1078 74 C 4.6804 7.5273 123.1232 57.6068 32.1746 173.7675 75 L 3.6420 8.3966 129.1545 58.4775 41.6596 178.4977 76 Y 3.8044 7.2376 116.0009 60.9885 37.8344 177.9489 77 C 4.1600 7.9713 117.2172 62.9619 28.1651 176.2649 78 R 3.8495 8.1564 118.5862 58.5596 29.6646 177.8780 79 C 4.2227 7.5841 114.1245 58.8665 28.5564 173.3418 80 H 4.0419 7.5519 116.7448 56.5708 26.3780 174.3491 81 I 4.3991 7.0734 111.4364 58.5374 39.8351 174.7963 82 D 4.4056 8.2345 120.1969 54.7212 41.1589 176.0282 83 H 4.2052 8.1868 118.2391 54.1549 30.1391 173.6190 84 P 4.6795 0.0000 0.0000 62.4815 32.0236 175.7858 85 N 4.3146 7.4941 116.7357 56.1850 40.4937 176.1818 *89 F 4.5319 7.7997 117.4884 57.7668 40.1755 177.3222 90 C 4.7972 9.3808 112.9436 57.4004 34.2206 172.1654 91 D 4.6878 8.7748 124.3276 53.9335 40.0273 176.6657 92 L 4.4644 7.7093 119.7848 55.7510 43.5691 176.7011 93 K 3.8588 8.0381 118.9311 58.1791 32.1569 176.7265 94 G 3.8500 8.9298 113.6647 45.3314 0.0000 172.1023 95 K 4.5914 7.8385 119.1981 54.4654 36.3095 174.0697 96 Y 5.0687 8.9525 117.3756 56.6503 41.6610 175.1573 97 V 4.9085 9.0550 123.6531 61.4608 33.9961 174.1924 98 Q 5.1784 9.1322 127.5597 54.7132 30.2127 175.1488 99 I 4.2126 8.8946 125.0508 58.3060 40.8470 173.3133 100 P 4.4909 0.0000 0.0000 63.4472 31.5978 177.3881 101 T 3.9035 9.1158 121.6702 67.0275 68.5764 176.1751 102 T 4.1206 7.8484 108.8916 63.2702 69.3071 174.4474 103 C 4.6468 8.1530 119.2038 59.2974 29.3283 175.1002 104 A 4.1491 7.4177 123.2159 53.8001 17.9641 178.3857 105 N 4.5557 7.9558 112.5774 54.6001 38.4321 175.0279 106 D 4.8086 8.0814 118.3248 51.2818 40.9199 173.7106 107 P 4.0715 0.0000 0.0000 65.2552 31.4100 178.5478 108 V 4.3385 7.1146 118.1786 65.5859 31.5577 178.2156 109 G 3.8286 8.7068 106.7708 46.8707 0.0000 175.4829 110 F 3.7575 8.6803 123.7253 61.3178 39.0962 177.2684 111 T 3.8597 7.4684 107.1983 64.3042 68.8113 176.5971 112 L 4.1928 7.2429 121.2848 57.6754 41.8295 179.0214 113 R 4.1096 7.7740 115.7990 56.5634 30.3451 175.8851 114 N 4.9574 6.7779 115.1575 51.4150 41.7298 173.5257 115 T 4.9678 8.3012 114.8648 61.9664 72.2806 173.4112 116 V 4.2394 8.3998 124.9746 61.6981 32.9704 175.0290 117 C 4.4148 9.1681 129.7797 59.6050 31.7785 174.6250 118 T 3.9249 8.7424 116.7305 64.0891 68.5903 175.5788 119 V 3.8029 7.4822 122.1194 65.0684 31.8474 176.3250 120 C 4.2347 7.9257 113.3347 58.2297 30.5221 175.1825 121 G 3.7369 8.4435 109.2666 45.8766 0.0000 172.9632 122 M 4.7245 7.0796 119.5327 52.6497 34.4855 175.4392 123 W 5.0296 8.5106 120.6672 56.4914 29.7428 176.2586 124 K 4.1606 9.2847 124.0707 58.4214 31.7883 177.3294 125 G 3.8658 9.6018 112.7101 45.5269 0.0000 172.9159 126 Y 4.8028 8.4632 116.2204 54.3232 38.2893 174.1873 127 G 4.0813 8.4425 109.4965 46.0440 0.0000 172.5346 128 C 4.1547 8.3626 119.7514 60.7241 32.3288 173.2782 129 S 4.0881 8.5914 120.8010 59.1462 62.5463 171.9012 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 8 P 0.00 4.36 0.00 2.20 2.04 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 9 A 8.76 3.82 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 10 N 8.72 4.87 0.00 2.71 2.77 0.00 0.00 7.13 7.57 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 11 S 7.90 4.15 0.00 3.96 3.94 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 12 T 7.81 3.91 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 1.23 0.00 0.00 13 V 7.65 3.52 1.60 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 0.79 0.00 0.00 0.14 0.00 0.00 14 L 8.26 3.85 0.00 1.67 1.63 0.85 0.36 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 15 S 8.28 4.15 0.00 4.06 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 16 F 8.06 4.35 0.00 3.04 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 17 C 7.97 3.87 0.00 2.82 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 18 A 7.95 3.63 0.73 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 0.00 0.00 19 F 7.24 4.55 0.00 3.06 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 20 A 7.42 4.22 1.05 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 0.00 0.00 21 V 8.23 3.64 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 0.92 0.00 0.00 22 D 7.38 4.72 0.00 2.69 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 23 P 0.00 4.20 0.00 2.06 1.95 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 24 A 8.04 4.00 1.43 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 0.00 0.00 0.00 25 K 8.32 3.96 0.00 2.00 1.98 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.48 7.81 26 A 8.05 4.06 1.02 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 0.00 0.00 27 Y 8.23 4.35 0.00 2.93 3.12 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 28 K 8.25 3.74 0.00 1.95 2.01 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 29 D 8.45 4.38 0.00 3.12 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 30 Y 8.34 4.10 0.00 3.31 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 31 L 8.14 3.59 0.00 1.66 1.49 0.43 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.99 3.95 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 33 S 7.67 4.52 0.00 3.71 3.78 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 34 G 7.89 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 0.00 0.00 0.00 35 G 7.21 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 0.00 0.00 0.00 36 Q 8.40 4.14 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 37 P 0.00 4.71 0.00 2.25 2.29 0.00 3.78 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 2.05 2.14 0.00 38 I 8.74 4.00 1.74 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.36 0.80 0.00 0.00 39 T 8.75 4.65 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 1.25 0.00 0.00 40 N 8.82 4.35 0.00 2.91 3.00 0.00 0.00 6.83 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 41 C 8.05 4.41 0.00 2.94 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 42 V 8.95 4.38 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 0.73 0.00 0.00 1.07 0.00 0.00 43 K 8.67 4.33 0.00 1.55 1.56 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.07 0.63 7.81 44 M 8.69 4.53 0.00 1.77 1.87 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.75 0.00 45 L 8.37 4.39 0.00 1.53 1.56 0.88 0.83 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 46 C 8.05 4.78 0.00 2.98 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 47 T 8.50 3.83 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 1.22 0.00 0.00 48 H 8.41 4.07 0.00 3.38 3.38 0.00 5.63 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.38 4.54 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 1.22 0.00 0.00 50 G 8.15 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 51 T 9.36 3.81 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 1.27 0.00 0.00 52 G 8.50 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 Q 7.52 4.15 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 54 A 8.64 3.83 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.41 5.01 1.77 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 1.40 0.39 0.95 0.00 0.00 56 T 8.94 4.81 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 1.21 0.00 0.00 57 V 8.61 4.15 2.14 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 0.77 0.00 0.00 0.96 0.00 0.00 58 T 7.51 4.62 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 1.22 0.00 0.00 59 P 0.00 4.14 0.00 1.84 1.85 0.00 3.23 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.12 0.00 60 E 9.43 4.64 0.00 1.94 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 0.00 2.42 2.36 0.00 61 A 7.72 4.45 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 5.11 0.00 2.97 2.99 0.00 0.00 6.89 7.25 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 63 M 8.59 4.32 0.00 2.05 2.19 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 2.62 2.66 0.00 64 D 8.91 4.86 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.91 5.15 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 66 E 8.91 4.70 0.00 1.90 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 2.22 2.42 0.00 67 S 8.36 5.32 0.00 3.68 3.79 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 68 F 9.50 5.30 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.59 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 70 G 9.08 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 0.00 0.00 0.00 71 A 8.07 4.10 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 72 S 7.74 4.23 0.00 4.10 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 73 C 8.48 4.53 0.00 3.11 2.96 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 74 C 7.53 4.68 0.00 3.02 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 75 L 8.40 3.64 0.00 1.37 0.88 0.34 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.24 3.80 0.00 2.68 2.65 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 0.00 0.00 0.00 0.00 77 C 7.97 4.16 0.00 3.21 2.97 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 0.00 0.00 0.00 78 R 8.16 3.85 0.00 1.61 1.82 0.00 3.22 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 79 C 7.58 4.22 0.00 2.77 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 80 H 7.55 4.04 0.00 3.26 3.34 0.00 5.61 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.07 4.40 1.80 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 1.22 0.70 0.74 0.00 0.00 82 D 8.23 4.41 0.00 2.61 2.53 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 0.00 0.00 0.00 0.00 83 H 8.19 4.21 0.00 2.93 2.94 0.00 5.83 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.68 0.00 1.95 1.83 0.00 2.78 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.22 0.00 85 N 7.49 4.31 0.00 2.68 2.85 0.00 0.00 6.89 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 *89 F 7.80 4.53 0.00 2.91 2.37 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 90 C 9.38 4.80 0.00 2.47 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.77 4.69 0.00 2.84 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 92 L 7.71 4.46 0.00 1.77 1.77 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.04 3.86 0.00 1.78 1.81 0.00 1.99 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.50 7.81 94 G 8.93 3.85 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 0.00 0.00 0.00 95 K 7.84 4.59 0.00 1.71 1.92 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.32 7.81 96 Y 8.95 5.07 0.00 2.97 2.91 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 97 V 9.06 4.91 2.32 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 1.40 0.00 0.00 1.07 0.00 0.00 98 Q 9.13 5.18 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.35 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 99 I 8.89 4.21 1.97 0.00 0.00 0.70 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 1.02 0.33 0.00 0.00 100 P 0.00 4.49 0.00 1.64 1.93 0.00 2.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.96 0.00 101 T 9.12 3.90 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 0.00 102 T 7.85 4.12 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 0.00 103 C 8.15 4.65 0.00 2.46 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 0.00 104 A 7.42 4.15 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 0.00 105 N 7.96 4.56 0.00 2.86 2.98 0.00 0.00 5.77 8.06 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 0.00 106 D 8.08 4.81 0.00 2.74 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 0.00 107 P 0.00 4.07 0.00 1.67 1.17 0.00 3.47 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.55 0.00 108 V 7.11 4.34 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 0.96 0.00 0.00 0.77 0.00 0.00 109 G 8.71 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 0.00 0.00 0.00 110 F 8.68 3.76 0.00 3.05 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 0.00 111 T 7.47 3.86 4.53 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 0.00 0.00 0.00 1.52 0.00 0.00 112 L 7.24 4.19 0.00 1.63 1.81 1.02 0.95 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 0.00 113 R 7.77 4.11 0.00 1.51 1.83 0.00 3.02 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 114 N 6.78 4.96 0.00 1.44 2.33 0.00 0.00 6.75 7.42 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 0.00 115 T 8.30 4.97 4.37 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 1.29 0.00 0.00 116 V 8.40 4.24 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 0.54 0.00 0.00 0.19 0.00 0.00 117 C 9.17 4.41 0.00 3.09 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 0.00 118 T 8.74 3.92 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 1.22 0.00 0.00 119 V 7.48 3.80 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 0.84 0.00 0.00 0.94 0.00 0.00 120 C 7.93 4.23 0.00 3.15 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 0.00 121 G 8.44 3.74 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 0.00 0.00 0.00 122 M 7.08 4.72 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 123 W 8.51 5.03 0.00 3.88 3.38 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 0.00 124 K 9.28 4.16 0.00 2.03 1.89 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.52 7.81 125 G 9.60 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 0.00 0.00 0.00 126 Y 8.46 4.80 0.00 3.18 3.04 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 0.00 127 G 8.44 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 0.00 0.00 0.00 128 C 8.36 4.15 0.00 3.03 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 0.00 129 S 8.59 4.09 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.