NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.5415 8.3493 119.5415 52.9965 41.5498 175.3402 10 S 4.3644 7.5936 115.6553 57.9934 64.4431 173.0554 11 Y 4.2965 9.1602 122.2451 60.8050 39.2996 177.0421 12 A 4.5463 7.5649 115.0001 51.2340 23.3717 175.6350 13 R 5.1921 8.6043 120.5360 55.2931 33.1513 174.5477 14 V 4.7136 9.1692 118.6438 59.9254 36.8807 174.4331 15 R 5.1387 8.6630 121.3577 55.0559 31.2265 175.5710 16 A 4.6419 9.0003 125.1037 50.6085 23.8790 174.3874 17 V 4.3754 8.3890 119.4570 61.2294 33.0754 175.3973 18 V 4.1107 8.3762 128.6584 63.3177 32.5285 174.6039 19 M 5.3869 8.7897 126.9369 54.1852 35.2213 174.8527 20 T 4.8788 8.9980 114.1658 60.5559 71.4771 173.3738 21 R 3.6515 7.9419 124.9253 56.3045 30.7228 176.6669 22 D 4.9255 7.7238 122.2742 52.4998 41.2618 176.3195 23 D 4.5410 8.4691 120.5238 53.7500 39.8702 176.3175 24 S 4.4900 7.8238 115.7890 57.3776 64.1912 174.4532 25 S 4.2233 8.4627 114.7159 60.8749 62.9031 175.5700 26 G 4.0924 7.7855 104.9789 45.2878 0.0000 172.3804 27 G 4.1247 8.1705 108.1968 45.1353 0.0000 173.1160 28 W 5.3766 8.5807 119.0061 54.6636 32.8102 174.8311 29 L 4.8919 8.9363 122.6398 52.5920 45.5229 175.6784 30 Q 4.4478 8.4232 119.6486 55.3857 30.1258 175.8437 31 L 4.0505 8.9418 127.3945 56.3652 42.4342 177.2527 32 G 3.7392 9.8650 113.0284 46.3835 0.0000 174.0690 33 G 3.8934 7.9187 106.9398 44.5834 0.0000 175.4493 34 G 3.7431 7.4235 105.0385 46.4216 0.0000 174.4130 35 G 4.0975 8.5294 107.5836 45.3042 0.0000 172.5522 36 L 4.5725 8.0055 118.6201 54.3253 43.1599 176.2673 37 S 5.1067 9.0266 117.8555 56.6832 67.1430 173.3338 38 S 4.7342 9.0921 118.6989 57.8281 63.3571 172.8998 39 V 5.0987 9.2088 128.8632 61.3695 33.5915 174.3360 40 T 5.2253 9.2679 118.4523 59.9059 72.1232 172.9678 41 V 4.9644 8.6907 124.1810 61.3416 33.6824 174.5407 42 S 5.1319 9.3491 124.1195 57.4959 66.8094 173.5932 43 K 4.7711 8.6122 124.1242 53.9244 33.7589 176.3923 44 T 4.4663 7.9422 119.7883 59.7060 69.8635 173.9725 45 L 3.5313 8.3537 134.5560 54.9262 41.9588 174.0159 *54 E 4.3981 7.9421 117.5286 56.9796 32.6264 177.2509 55 F 5.1892 8.6545 116.0141 56.6332 42.2868 174.2002 56 L 5.1964 9.1734 125.9526 53.1706 45.6031 175.0334 57 V 4.8572 8.8364 126.0752 61.6857 33.4683 173.7465 58 H 5.2959 9.5536 128.4346 54.2828 32.9169 172.2493 59 G 4.4023 9.3054 113.2122 44.3734 0.0000 171.0307 60 E 5.1420 8.9303 127.3469 53.9495 32.2971 175.0731 61 R 4.4623 8.9910 128.8920 55.8896 29.9622 177.5409 62 L 4.0736 9.0684 127.2913 57.7750 41.9366 179.7835 63 R 4.2411 7.9755 114.1839 58.7653 29.4909 177.0933 64 D 4.6092 7.3870 113.5632 52.3424 41.4365 175.2819 65 K 3.9681 8.3065 117.4693 57.8833 30.3591 175.3196 66 T 4.1858 7.7395 116.4925 63.3274 69.6108 174.1119 67 V 4.4504 8.4672 127.0584 62.5276 31.7734 175.3378 68 I 4.5414 8.6381 120.7828 60.4974 39.0288 175.2985 69 L 4.7653 7.6798 125.3632 53.8523 45.4412 174.7578 70 E 5.0333 8.9518 125.7169 55.3425 32.5761 173.9079 71 C 4.5906 9.1254 125.8358 57.1650 34.4457 172.9099 72 V 4.3995 8.4810 127.1450 62.1928 31.6765 175.7432 73 L 4.3876 8.8301 128.8698 54.9665 41.9792 176.8833 74 R 4.7096 8.4600 121.6227 54.8152 34.2112 177.3780 75 R 3.8936 8.6541 118.6408 59.0929 29.5126 178.2187 76 D 4.8377 7.9082 114.8057 53.1751 39.6528 176.1036 77 L 4.4013 7.3772 121.2516 55.9343 42.9909 176.2312 78 V 4.5187 8.8198 124.7255 61.3835 33.7422 173.6932 79 Y 5.1130 8.7413 128.2907 55.8222 41.5858 173.5975 80 N 4.7343 8.9626 125.9709 51.8570 41.2910 173.9821 81 K 4.5863 8.5504 127.4518 54.8678 30.9951 176.6948 82 V 3.6854 7.7316 122.4966 65.2016 32.0259 175.6312 83 T 4.8339 7.8952 107.8615 59.0881 71.8845 172.5193 84 P 4.5504 0.0000 0.0000 64.6327 31.4710 177.6190 85 T 4.9400 8.3223 107.7931 60.9062 70.9388 173.1518 86 F 5.4223 8.5957 125.0690 57.6945 42.3931 172.9074 87 H 5.1776 8.7717 123.0944 54.1021 32.5055 172.7543 88 H 5.1250 8.1541 115.8839 53.7607 32.4348 171.8456 89 W 5.8033 8.8360 115.7639 55.3817 32.3979 173.5194 90 R 5.2223 9.6821 120.2591 54.8802 33.6568 173.7119 91 I 4.7908 8.8768 126.3830 59.3481 40.3024 176.4461 92 G 3.9876 9.2346 119.3838 47.0306 0.0000 173.2529 93 D 4.8216 8.9847 122.5456 52.3899 39.8500 175.5412 94 K 4.0796 7.9723 120.9895 55.6930 32.7904 175.9032 95 K 4.8883 7.8545 122.7784 54.4191 34.8636 175.3924 96 F 4.8078 8.5183 121.2240 55.8348 43.3044 174.0075 97 G 3.9905 8.0928 106.6838 45.0973 0.0000 171.4061 98 L 5.0623 8.6110 119.2657 53.0705 46.2706 175.8070 99 T 4.8401 8.5299 120.2466 62.1579 70.0285 174.2889 100 F 4.8315 8.8843 126.1946 56.7576 39.8269 176.5916 101 Q 4.2460 8.9825 119.9888 58.0552 29.3367 176.8774 102 S 4.6978 7.6921 111.4664 55.5252 66.8764 173.3434 103 P 4.5511 0.0000 0.0000 65.1179 31.0631 178.8033 104 A 3.9783 7.9617 119.1151 55.3048 18.2701 179.2480 105 D 4.2850 8.1073 117.0929 57.4532 40.8755 178.9010 106 A 2.5800 7.4464 120.7451 54.4624 18.1795 179.9946 107 R 3.7960 7.8741 116.4185 59.2827 30.1858 179.0787 108 A 3.9549 8.0382 120.6346 55.0329 18.2646 179.5182 109 F 3.9482 8.3411 119.2944 61.4214 39.5433 176.8702 110 D 4.0738 8.4428 120.2308 57.9289 40.9455 179.0400 111 R 3.9151 8.1069 121.3263 61.2164 29.3697 180.9268 112 G 3.6580 7.8375 106.5129 47.6517 0.0000 175.8013 113 I 3.2343 7.2715 122.7386 64.0085 37.0370 178.8324 114 R 3.6318 7.6450 118.7662 58.9772 29.8280 179.1243 115 R 3.9038 7.9569 118.4906 59.2215 30.0449 178.4166 116 A 3.1141 7.2863 120.4773 54.9395 18.2707 179.7253 117 I 3.3355 7.4727 118.4056 64.1422 36.8438 178.2285 118 E 3.7957 7.7214 119.4017 59.4570 29.5204 178.4156 119 D 4.4609 7.6441 117.7684 56.9189 40.9547 178.2422 120 L 3.7256 7.1991 120.6504 56.8071 42.0955 177.2878 121 S 4.2051 7.5203 116.1741 58.2446 62.3949 173.4512 122 Q 4.5514 8.6504 123.7303 54.0476 31.7729 176.2326 123 G 3.9997 8.6328 106.7327 45.9382 0.0000 173.5289 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 9 D 8.35 4.54 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.59 4.36 0.00 4.32 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 11 Y 9.16 4.30 0.00 2.90 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 12 A 7.56 4.55 1.23 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 0.00 0.00 13 R 8.60 5.19 0.00 1.84 1.82 0.00 3.22 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 14 V 9.17 4.71 2.26 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 0.82 0.00 0.00 1.19 0.00 0.00 15 R 8.66 5.14 0.00 1.84 1.90 0.00 3.21 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 16 A 9.00 4.64 1.01 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 17 V 8.39 4.38 2.00 0.00 0.00 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 0.90 0.00 0.00 18 V 8.38 4.11 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 1.05 0.00 0.00 0.94 0.00 0.00 19 M 8.79 5.39 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.73 0.00 20 T 9.00 4.88 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 1.18 0.00 0.00 21 R 7.94 3.65 0.00 1.19 1.31 0.00 2.39 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.76 0.00 22 D 7.72 4.93 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.47 4.54 0.00 2.74 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 24 S 7.82 4.49 0.00 3.98 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 25 S 8.46 4.22 0.00 3.98 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 26 G 7.79 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 27 G 8.17 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 28 W 8.58 5.38 0.00 2.89 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 29 L 8.94 4.89 0.00 1.51 1.52 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.42 4.45 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.08 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 31 L 8.94 4.05 0.00 1.76 1.57 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.87 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 33 G 7.92 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 0.00 0.00 0.00 34 G 7.42 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 35 G 8.53 4.10 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 0.00 0.00 0.00 36 L 8.01 4.57 0.00 1.63 1.60 0.98 0.76 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 37 S 9.03 5.11 0.00 3.70 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 38 S 9.09 4.73 0.00 3.92 3.80 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 39 V 9.21 5.10 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 1.24 0.00 0.00 1.01 0.00 0.00 40 T 9.27 5.23 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 1.29 0.00 0.00 41 V 8.69 4.96 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 0.90 0.00 0.00 0.57 0.00 0.00 42 S 9.35 5.13 0.00 3.87 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 43 K 8.61 4.77 0.00 1.55 1.61 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.61 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 0.98 7.81 44 T 7.94 4.47 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 1.18 0.00 0.00 45 L 8.35 3.53 0.00 1.70 1.55 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *54 E 7.94 4.40 0.00 1.68 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 2.21 1.92 0.00 55 F 8.65 5.19 0.00 2.92 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 56 L 9.17 5.20 0.00 1.73 1.48 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.84 4.86 2.25 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 1.32 0.00 0.00 0.85 0.00 0.00 58 H 9.55 5.30 0.00 3.30 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 9.31 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 0.00 0.00 0.00 0.00 60 E 8.93 5.14 0.00 2.09 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 2.22 2.36 0.00 61 R 8.99 4.46 0.00 1.90 1.95 0.00 3.20 0.00 0.00 3.27 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 62 L 9.07 4.07 0.00 1.76 1.71 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.98 4.24 0.00 1.92 2.07 0.00 3.01 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 64 D 7.39 4.61 0.00 2.95 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 65 K 8.31 3.97 0.00 2.22 1.97 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.26 7.81 66 T 7.74 4.19 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 1.22 0.00 0.00 67 V 8.47 4.45 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 0.79 0.00 0.00 0.99 0.00 0.00 68 I 8.64 4.54 1.90 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 1.12 0.87 0.97 0.00 0.00 69 L 7.68 4.77 0.00 1.81 1.61 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.95 5.03 0.00 1.90 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 2.28 2.33 0.00 71 C 9.13 4.59 0.00 2.00 2.64 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 72 V 8.48 4.40 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 0.91 0.00 0.00 0.98 0.00 0.00 73 L 8.83 4.39 0.00 1.57 1.51 0.75 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.46 4.71 0.00 2.03 1.78 0.00 3.25 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 75 R 8.65 3.89 0.00 1.83 1.85 0.00 3.25 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 76 D 7.91 4.84 0.00 2.80 2.79 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 77 L 7.38 4.40 0.00 1.82 1.81 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.82 4.52 2.21 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 1.04 0.00 0.00 1.01 0.00 0.00 79 Y 8.74 5.11 0.00 3.01 2.76 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 80 N 8.96 4.73 0.00 2.60 2.08 0.00 0.00 6.75 6.68 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 81 K 8.55 4.59 0.00 1.75 1.69 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 1.50 7.81 82 V 7.73 3.69 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 1.00 0.00 0.00 0.77 0.00 0.00 83 T 7.90 4.83 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 1.34 0.00 0.00 84 P 0.00 4.55 0.00 2.24 2.16 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 85 T 8.32 4.94 4.55 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 1.27 0.00 0.00 86 F 8.60 5.42 0.00 2.93 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 87 H 8.77 5.18 0.00 3.27 2.81 0.00 5.63 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 8.15 5.13 0.00 2.74 2.10 0.00 5.43 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 89 W 8.84 5.80 0.00 3.64 3.18 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 0.00 90 R 9.68 5.22 0.00 1.93 1.87 0.00 3.23 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 91 I 8.88 4.79 2.18 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.41 1.05 0.00 0.00 92 G 9.23 3.99 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 93 D 8.98 4.82 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 K 7.97 4.08 0.00 2.22 1.52 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.28 7.81 95 K 7.85 4.89 0.00 1.40 1.66 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.26 7.81 96 F 8.52 4.81 0.00 1.51 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 0.00 0.00 0.00 0.00 97 G 8.09 3.99 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 98 L 8.61 5.06 0.00 0.69 0.44 0.24 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.53 4.84 4.14 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 0.00 0.00 0.00 1.18 0.00 0.00 100 F 8.88 4.83 0.00 2.92 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 0.00 101 Q 8.98 4.25 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 102 S 7.69 4.70 0.00 4.02 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 0.00 103 P 0.00 4.55 0.00 2.18 2.15 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 104 A 7.96 3.98 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 0.00 105 D 8.11 4.28 0.00 3.05 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 0.00 106 A 7.45 2.58 0.74 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 0.00 107 R 7.87 3.80 0.00 2.00 1.94 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 108 A 8.04 3.95 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 0.00 109 F 8.34 3.95 0.00 3.33 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 0.00 110 D 8.44 4.07 0.00 2.94 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 R 8.11 3.92 0.00 1.86 1.92 0.00 3.33 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 112 G 7.84 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.27 3.23 1.34 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 0.62 0.16 0.41 0.00 0.00 114 R 7.64 3.63 0.00 1.79 1.79 0.00 2.98 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 115 R 7.96 3.90 0.00 1.96 1.99 0.00 3.31 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 116 A 7.29 3.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.47 3.34 1.75 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 0.75 0.00 0.00 118 E 7.72 3.80 0.00 2.05 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 0.00 2.26 2.27 0.00 119 D 7.64 4.46 0.00 2.81 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 0.00 120 L 7.20 3.73 0.00 0.29 1.35 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.52 4.21 0.00 3.82 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 0.00 122 Q 8.65 4.55 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 123 G 8.63 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 * Residues marked with a * may have inaccurate shift predictions.