NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 H 4.7334 8.4449 117.3554 54.0054 29.0967 173.0799 3 W 4.5217 8.5925 119.7488 56.7104 29.7969 174.8185 4 T 4.5040 8.9569 114.7228 60.6022 72.1015 175.6702 5 S 4.0874 8.7263 118.0733 62.0781 62.6381 176.5867 6 E 3.7796 8.1081 122.0012 58.9418 29.5045 178.4752 7 E 4.2148 8.2065 118.6388 59.6113 29.5546 179.4736 8 K 3.6851 8.2596 118.4931 59.4047 32.0135 179.2011 9 Q 3.8895 7.8881 119.8156 59.2689 28.6542 177.7090 10 Y 4.4187 7.8752 117.8505 60.9195 37.8357 178.5518 11 I 3.3932 7.6747 121.0930 64.3080 37.3393 178.3849 12 T 3.9868 8.0541 111.0626 64.9496 68.2960 176.5395 13 S 4.1887 8.0244 116.2792 61.0521 63.3678 175.9598 14 L 3.9366 7.8342 123.7455 57.5298 41.9100 178.6995 15 W 4.2387 8.8285 128.1841 60.3004 30.4522 177.6547 16 A 4.1384 7.9829 119.3048 53.9862 17.8650 178.0047 17 K 4.3121 7.4572 114.9370 56.3427 33.3070 177.1806 18 V 3.6065 7.0394 119.9403 62.6371 31.7799 175.8571 19 N 4.4956 8.4639 125.5244 52.1547 38.6402 175.3219 20 V 3.5055 8.0576 127.9694 65.9530 31.6565 177.7632 21 G 3.5684 8.0104 104.7367 47.6512 0.0000 175.2106 22 E 3.8573 8.4093 121.8023 59.1190 29.6977 179.1053 23 V 3.5734 7.9984 118.6823 65.6780 31.5058 178.2395 24 G 3.7225 8.5054 106.1285 47.8121 0.0000 175.9899 25 G 3.6412 8.0769 108.5504 47.2917 0.0000 175.6635 26 E 3.8936 8.1988 120.6753 59.1618 29.5624 179.2132 27 A 3.9419 8.2148 121.0677 55.1683 18.4696 179.5069 28 L 3.8836 7.9908 118.5861 58.1316 42.1998 178.9326 29 A 3.9279 8.1332 120.8634 55.3406 18.3416 179.8707 30 R 3.8184 8.2469 116.8098 58.9900 30.0595 179.0716 31 L 3.9970 7.8960 120.2172 58.3570 42.0475 179.1944 32 L 4.0449 7.7603 120.0714 56.9031 41.2003 179.6659 33 I 3.7113 7.4760 119.1547 64.2516 37.3982 178.2623 34 V 3.5618 7.8109 117.8402 64.2999 32.7706 175.6372 35 Y 4.2064 7.3176 116.0896 53.6323 38.0549 173.6904 36 P 4.5676 0.0000 0.0000 64.7933 31.3922 178.3964 37 W 4.3396 8.1726 115.8466 59.2580 27.6606 177.9516 38 T 4.3255 7.5611 110.6584 64.3365 68.0781 176.3258 39 Q 4.2149 8.2186 121.3629 58.6441 28.3855 178.1640 40 R 3.7576 7.6678 119.4583 59.3807 30.0148 177.6086 41 F 4.3898 7.5813 113.9909 57.7710 39.5303 175.6180 42 F 4.5189 8.2331 118.8120 56.4782 39.6837 177.2166 43 A 4.0928 8.3673 125.6759 55.1005 18.6214 179.5618 44 S 4.5379 8.1985 108.7635 59.6606 63.7260 175.3151 45 F 4.3851 8.6242 119.4272 57.8776 39.3014 177.3522 46 G 3.8403 7.6437 107.9423 44.6780 0.0000 172.8142 47 N 4.3887 8.7738 120.5034 54.3461 39.3558 175.3785 48 L 4.8957 8.4064 124.7187 54.5172 43.4319 178.1983 49 S 4.4248 8.9026 114.5334 60.0134 63.0913 174.2145 50 S 4.5466 7.6226 113.8991 56.2331 66.9482 175.4910 51 A 3.9540 8.4517 124.2597 55.6652 17.9340 179.7893 52 N 4.3178 8.1596 114.0855 56.3728 38.4510 177.3300 53 A 4.0417 7.8345 121.2265 55.2284 18.7700 179.4868 54 I 3.8301 8.1220 118.6513 64.5480 37.0247 178.6525 55 L 4.1338 8.0184 118.0877 56.8217 41.4252 178.1066 56 H 4.9798 7.4530 114.2070 54.3994 29.4747 174.3213 57 N 4.5638 7.8329 121.1273 52.6846 39.1831 175.0439 58 A 3.9927 8.6368 131.0312 55.3421 18.4856 178.8968 59 K 3.7167 8.0473 117.4901 59.4067 32.2933 179.0565 60 V 3.8431 8.3858 118.6705 66.0241 31.5154 178.0356 61 L 3.9818 8.0290 118.4566 57.7994 41.5975 179.3272 62 A 4.0113 8.2710 120.9594 55.4583 18.2181 179.1708 63 H 4.3480 8.6616 116.9787 59.4319 29.9884 177.7076 64 G 3.6391 8.3244 107.5960 47.7237 0.0000 175.2942 65 Q 4.0346 8.0897 121.7462 59.1725 29.1068 178.7953 66 K 4.0807 7.9780 119.1996 59.2884 32.0715 179.5796 67 V 3.6736 8.0493 118.8316 66.2217 31.5733 178.2531 68 L 4.5633 8.6383 118.9496 58.0081 41.1897 179.6658 69 T 4.2040 7.9989 115.5143 66.6266 68.6610 176.2664 70 S 4.2761 8.3198 115.1395 61.5275 62.4387 176.2039 71 F 4.2580 8.5910 120.6296 60.5286 38.5559 177.8054 72 G 3.2956 8.2734 105.3924 47.6888 0.0000 175.4290 73 E 3.9590 7.9990 119.2529 58.3592 29.6384 178.8110 74 A 4.2287 7.9999 121.5196 54.7705 18.6286 179.5856 75 V 3.1016 7.3582 115.4396 65.8919 31.5140 177.0544 76 K 4.1358 7.8434 116.4655 57.7917 32.8778 176.9953 77 N 4.9057 7.8523 118.0160 51.7335 39.4243 175.1100 78 L 3.8090 7.6331 119.2236 57.5697 42.2212 178.6077 79 D 4.9310 7.9626 115.5885 54.6330 41.6659 176.1974 80 N 5.1397 8.1711 117.7606 52.4407 40.0376 176.9429 81 I 3.8267 8.2670 121.0716 64.4655 37.0325 177.3818 82 K 3.9949 8.2680 121.1303 60.3493 32.0103 179.1074 83 K 4.1797 8.0104 123.2778 60.0480 31.5163 180.8514 84 T 3.9935 8.0061 116.0973 65.7942 68.5653 175.7760 85 F 4.5207 8.0007 116.8925 56.9944 39.4980 177.2582 86 A 4.0760 7.6965 123.7809 56.1471 18.1385 180.5876 87 Q 3.9617 7.9613 118.2059 60.5418 28.2489 180.5151 88 L 4.2960 7.9077 120.8347 57.3036 41.6413 179.4862 89 S 4.1640 8.5587 116.3091 62.0423 62.2247 176.6970 90 E 3.9955 8.0626 120.5987 60.8880 29.3474 180.5341 91 L 4.1199 7.8523 121.3548 58.5897 42.1560 178.9968 92 H 4.1795 8.5934 116.1038 58.9449 28.6252 175.7399 93 C 4.4594 8.5215 123.7316 61.1707 30.8834 175.5850 94 E 3.8632 7.6928 119.2277 58.9298 30.2207 180.9189 95 K 4.1771 8.0024 119.0408 58.7985 32.5762 177.6601 96 L 4.2252 8.0153 116.8646 55.0703 42.5165 176.4612 97 H 4.0761 7.7360 114.5162 56.6169 26.3787 175.2053 98 V 3.7751 7.9608 118.4245 61.1705 32.7308 174.9156 99 D 4.3282 8.5672 127.0182 53.4637 41.8568 174.8132 100 P 2.9700 0.0000 0.0000 65.5391 31.3283 178.0994 101 E 3.8365 8.4535 117.9573 59.4550 29.4129 178.6040 102 N 4.4854 8.1654 116.0528 55.5701 38.5220 177.3981 103 F 4.5640 7.8901 120.3116 60.4949 38.9702 177.7696 104 K 4.1176 8.0892 117.7634 59.4184 31.9343 179.2704 105 L 3.9562 7.8478 118.9405 57.6250 41.4283 179.3128 106 L 4.1727 8.2120 120.5396 57.9799 42.0377 179.1087 107 G 3.8038 8.2771 105.7743 48.1405 0.0000 175.3215 108 N 4.4513 8.4255 119.2242 56.0023 38.4576 177.5908 109 I 3.7324 7.9310 121.2119 64.3512 37.1484 178.1647 110 L 3.8119 8.1095 121.2065 58.0924 41.9131 179.0705 111 I 3.6681 7.7457 119.7309 64.5169 37.1253 178.4937 112 I 3.6966 7.6603 120.4280 64.1899 37.0115 178.6787 113 V 3.4315 7.8816 119.2942 66.0341 31.3091 177.9889 114 L 3.7472 7.7552 118.6202 57.6696 41.0313 179.4955 115 A 3.6905 6.8440 119.6236 55.1359 18.3961 179.5525 116 T 3.9211 7.5985 107.1212 64.5824 68.9601 175.9180 117 H 4.2269 7.6220 117.4363 56.1276 30.6548 175.4116 118 F 4.9420 8.0463 118.5579 54.9965 39.2939 173.6185 119 P 4.3142 0.0000 0.0000 66.4905 31.8352 179.5585 120 K 4.2290 8.2115 119.1456 57.2175 31.8211 179.7463 121 E 4.3801 8.2409 117.5726 58.1308 30.3774 177.2750 122 F 4.4981 8.4155 123.3723 57.3164 37.7869 174.7341 123 T 4.2453 7.2371 115.9511 60.1529 71.6783 173.6263 124 P 4.0900 0.0000 0.0000 65.7415 31.3377 178.8197 125 A 3.8512 7.6879 118.9670 54.9734 18.2507 179.4858 126 S 3.1295 7.0692 111.1417 61.1901 62.3921 176.0567 127 Q 3.3834 7.7209 122.3968 58.8901 28.6452 178.2167 128 A 3.9675 7.9280 121.4966 55.1112 18.4752 179.5313 129 A 4.0986 7.8361 118.8940 55.2864 18.5173 179.9993 130 W 4.0598 8.6064 117.6540 59.9868 29.1337 179.0558 131 T 4.0908 8.6785 116.5561 66.4206 67.8650 176.6492 132 K 3.9871 8.2427 121.7444 59.2854 32.1935 178.5376 133 L 4.2361 8.1241 120.5920 58.5548 42.0690 179.4066 134 V 4.0391 8.2756 112.2774 64.6121 31.4103 178.4455 135 N 4.4227 8.4804 116.1544 56.2734 38.2907 177.3199 136 A 4.0258 8.2125 122.2879 55.0648 18.4369 179.9304 137 V 3.0548 7.9735 116.6646 65.8521 31.5659 178.1668 138 A 3.8906 8.3642 121.0415 55.2327 17.9634 179.1855 139 H 4.0991 8.3866 116.0842 59.4358 30.1956 177.0383 140 A 4.0807 8.1726 122.8482 55.2410 17.9590 179.6302 141 L 3.7683 7.6550 116.3195 57.3866 41.6703 178.9793 142 A 4.4752 7.9340 121.6261 54.0950 18.5169 178.4933 143 L 4.1816 7.2263 125.5998 56.9680 41.1059 182.4282 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 *2 H 8.44 4.73 0.00 2.95 2.79 0.00 7.17 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.59 4.52 0.00 3.33 3.09 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 4 T 8.96 4.50 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 1.24 0.00 0.00 5 S 8.73 4.09 0.00 4.05 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 6 E 8.11 3.78 0.00 2.03 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 2.21 2.17 0.00 7 E 8.21 4.21 0.00 2.51 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 0.00 2.52 2.50 0.00 8 K 8.26 3.69 0.00 1.89 1.72 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.21 1.66 7.81 9 Q 7.89 3.89 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 10 Y 7.88 4.42 0.00 3.27 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 11 I 7.67 3.39 1.51 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 0.20 0.59 -0.03 0.00 0.00 12 T 8.05 3.99 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 1.14 0.00 0.00 13 S 8.02 4.19 0.00 4.10 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 14 L 7.83 3.94 0.00 2.10 2.18 0.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.83 4.24 0.00 3.97 3.24 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 16 A 7.98 4.14 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 17 K 7.46 4.31 0.00 1.75 2.03 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.48 7.81 18 V 7.04 3.61 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 0.26 0.00 0.00 0.74 0.00 0.00 19 N 8.46 4.50 0.00 2.74 2.65 0.00 0.00 6.83 7.71 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 20 V 8.06 3.51 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 1.20 0.00 0.00 0.64 0.00 0.00 21 G 8.01 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.41 3.86 0.00 2.03 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 2.33 2.29 0.00 23 V 8.00 3.57 2.04 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 0.91 0.00 0.00 0.68 0.00 0.00 24 G 8.51 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 25 G 8.08 3.64 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 0.00 26 E 8.20 3.89 0.00 2.19 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 0.00 2.37 2.45 0.00 27 A 8.21 3.94 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 28 L 7.99 3.88 0.00 1.85 1.65 0.59 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.13 3.93 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 30 R 8.25 3.82 0.00 2.02 1.93 0.00 3.15 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 31 L 7.90 4.00 0.00 1.93 1.86 1.03 0.56 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 32 L 7.76 4.04 0.00 1.77 1.62 0.58 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.48 3.71 1.82 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 1.35 0.55 0.83 0.00 0.00 34 V 7.81 3.56 1.48 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 0.01 0.00 0.00 0.73 0.00 0.00 35 Y 7.32 4.21 0.00 2.50 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 36 P 0.00 4.57 0.00 2.31 2.33 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.98 0.00 37 W 8.17 4.34 0.00 3.59 3.57 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 0.00 0.00 0.00 0.00 38 T 7.56 4.33 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 1.04 0.00 0.00 39 Q 8.22 4.21 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 40 R 7.67 3.76 0.00 1.69 1.45 0.00 3.02 0.00 0.00 2.52 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.46 0.00 41 F 7.58 4.39 0.00 2.53 2.51 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 42 F 8.23 4.52 0.00 2.76 2.12 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 43 A 8.37 4.09 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 44 S 8.20 4.54 0.00 4.15 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 45 F 8.62 4.39 0.00 3.19 3.21 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 46 G 7.64 3.84 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 0.00 0.00 0.00 47 N 8.77 4.39 0.00 2.72 2.79 0.00 0.00 6.58 7.78 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 48 L 8.41 4.90 0.00 1.71 1.58 1.01 0.88 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 49 S 8.90 4.42 0.00 3.94 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 50 S 7.62 4.55 0.00 4.07 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 51 A 8.45 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 52 N 8.16 4.32 0.00 2.76 2.91 0.00 0.00 6.97 7.16 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 53 A 7.83 4.04 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 54 I 8.12 3.83 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.86 0.00 0.00 55 L 8.02 4.13 0.00 1.54 1.59 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.45 4.98 0.00 3.03 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.83 4.56 0.00 3.00 2.86 0.00 0.00 7.06 8.10 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 58 A 8.64 3.99 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 59 K 8.05 3.72 0.00 1.65 1.76 0.00 1.29 0.00 0.00 1.42 0.00 0.00 2.50 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.21 7.81 60 V 8.39 3.84 2.29 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 0.94 0.00 0.00 1.06 0.00 0.00 61 L 8.03 3.98 0.00 1.91 1.70 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.27 4.01 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 63 H 8.66 4.35 0.00 3.67 3.80 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.32 3.64 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 0.00 65 Q 8.09 4.03 0.00 2.27 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 66 K 7.98 4.08 0.00 2.09 1.91 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.70 7.81 67 V 8.05 3.67 2.34 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 1.27 0.00 0.00 0.96 0.00 0.00 68 L 8.64 4.56 0.00 1.97 2.03 1.14 0.85 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 69 T 8.00 4.20 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 1.31 0.00 0.00 70 S 8.32 4.28 0.00 3.98 4.20 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 71 F 8.59 4.26 0.00 3.42 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 3.30 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 0.00 0.00 0.00 0.00 73 E 8.00 3.96 0.00 1.89 1.79 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 2.47 2.34 0.00 74 A 8.00 4.23 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.36 3.10 1.55 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 0.58 0.00 0.00 0.31 0.00 0.00 76 K 7.84 4.14 0.00 1.72 1.80 0.00 1.89 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.50 1.43 7.81 77 N 7.85 4.91 0.00 2.70 2.70 0.00 0.00 7.06 6.79 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 78 L 7.63 3.81 0.00 1.29 0.80 0.29 0.28 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 79 D 7.96 4.93 0.00 2.69 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 80 N 8.17 5.14 0.00 2.86 2.74 0.00 0.00 6.87 6.91 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 81 I 8.27 3.83 2.02 0.00 0.00 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 1.65 1.31 1.14 0.00 0.00 82 K 8.27 3.99 0.00 1.79 1.89 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.53 7.81 83 K 8.01 4.18 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.10 7.81 84 T 8.01 3.99 4.11 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 0.00 0.00 0.51 0.00 0.00 85 F 8.00 4.52 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 86 A 7.70 4.08 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 87 Q 7.96 3.96 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 88 L 7.91 4.30 0.00 1.95 1.83 1.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.56 4.16 0.00 4.01 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 90 E 8.06 4.00 0.00 2.05 1.94 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 2.24 2.19 0.00 91 L 7.85 4.12 0.00 1.76 1.88 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.59 4.18 0.00 3.29 3.55 0.00 5.85 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.52 4.46 0.00 3.08 2.87 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 94 E 7.69 3.86 0.00 1.97 1.87 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 2.27 2.14 0.00 95 K 8.00 4.18 0.00 1.69 2.10 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.39 7.81 96 L 8.02 4.23 0.00 1.76 1.61 0.71 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.74 4.08 0.00 3.42 3.42 0.00 5.64 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.96 3.78 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 0.42 0.00 0.00 0.21 0.00 0.00 99 D 8.57 4.33 0.00 2.71 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 0.00 100 P 0.00 2.97 0.00 2.08 2.09 0.00 3.53 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 2.07 2.09 0.00 101 E 8.45 3.84 0.00 2.04 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 2.28 2.40 0.00 102 N 8.17 4.49 0.00 2.73 2.88 0.00 0.00 6.94 8.33 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 0.00 103 F 7.89 4.56 0.00 3.11 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 0.00 104 K 8.09 4.12 0.00 2.01 1.90 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.60 7.81 105 L 7.85 3.96 0.00 1.70 1.24 0.51 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.21 4.17 0.00 1.92 1.98 1.02 1.24 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 0.00 107 G 8.28 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 0.00 0.00 0.00 108 N 8.43 4.45 0.00 3.04 2.98 0.00 0.00 7.09 6.86 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 0.00 109 I 7.93 3.73 2.12 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.00 0.98 0.00 0.00 110 L 8.11 3.81 0.00 1.57 1.71 0.74 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.75 3.67 2.15 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.22 1.20 0.00 0.00 112 I 7.66 3.70 2.00 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 1.43 0.98 0.88 0.00 0.00 113 V 7.88 3.43 2.04 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 0.81 0.00 0.00 0.93 0.00 0.00 114 L 7.76 3.75 0.00 0.88 0.83 -0.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 115 A 6.84 3.69 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 0.00 116 T 7.60 3.92 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 1.22 0.00 0.00 117 H 7.62 4.23 0.00 2.75 2.38 0.00 5.61 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.05 4.94 0.00 3.07 3.09 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 0.00 119 P 0.00 4.31 0.00 2.20 2.20 0.00 3.82 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 2.01 1.94 0.00 120 K 8.21 4.23 0.00 1.80 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 121 E 8.24 4.38 0.00 2.09 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 0.00 2.39 2.47 0.00 122 F 8.42 4.50 0.00 3.11 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 0.00 123 T 7.24 4.25 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 1.25 0.00 0.00 124 P 0.00 4.09 0.00 2.11 2.10 0.00 3.54 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 125 A 7.69 3.85 1.17 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 0.00 126 S 7.07 3.13 0.00 3.53 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 0.00 127 Q 7.72 3.38 0.00 1.50 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 128 A 7.93 3.97 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 0.00 129 A 7.84 4.10 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 0.00 130 W 8.61 4.06 0.00 3.71 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.68 4.09 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 1.28 0.00 0.00 132 K 8.24 3.99 0.00 2.01 2.24 0.00 1.37 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.74 1.15 7.81 133 L 8.12 4.24 0.00 1.76 1.95 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.28 4.04 2.30 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 0.88 0.00 0.00 1.15 0.00 0.00 135 N 8.48 4.42 0.00 3.07 2.89 0.00 0.00 6.84 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 0.00 136 A 8.21 4.03 1.55 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 0.00 0.00 137 V 7.97 3.05 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 -0.23 0.00 0.00 0.65 0.00 0.00 138 A 8.36 3.89 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 0.00 139 H 8.39 4.10 0.00 3.20 3.53 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.17 4.08 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 0.00 141 L 7.65 3.77 0.00 0.99 0.72 0.07 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.93 4.48 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 0.00 143 L 7.23 4.18 0.00 1.71 1.51 0.92 0.79 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 * Residues marked with a * may have inaccurate shift predictions.