NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 A 4.3933 8.2649 123.5842 52.0959 19.9370 176.1512 15 Q 4.3522 8.3006 120.5749 53.1889 32.8545 173.2983 16 A 4.2000 9.2795 125.5042 51.3026 20.2970 175.9317 17 P 4.3682 0.0000 0.0000 62.8891 33.2482 178.2454 18 V 3.6463 8.4211 121.4295 65.0823 31.2203 178.5050 19 S 4.1648 8.1499 113.2077 61.4380 62.2463 175.8170 20 D 4.5108 8.1573 120.9654 57.4437 40.6296 178.8763 21 R 3.9656 8.2036 118.4517 59.0372 30.0945 178.9035 22 A 3.9009 8.4494 120.9440 55.1432 18.4226 179.8718 23 W 4.3689 8.3737 117.1775 59.6038 28.9597 178.7390 24 A 4.1405 8.3842 121.2037 54.9797 17.9213 179.3596 25 L 3.9018 8.1324 118.8869 58.2116 42.1869 178.8736 26 F 4.1344 8.2878 120.5094 61.6247 39.2976 177.3776 27 R 3.9545 8.8666 117.8000 59.0648 28.2478 178.9268 28 A 3.9714 8.4202 121.1002 55.0631 18.4839 179.7500 29 L 4.0220 7.6843 116.9522 57.8368 41.8422 179.0813 30 D 4.2107 8.1191 118.5401 57.1311 40.8720 178.3206 31 G 3.7247 8.1729 104.8475 46.3705 0.0000 174.6229 32 K 4.5012 7.0744 117.8677 55.4838 32.5020 176.7736 33 G 3.8595 7.7985 107.0541 46.2711 0.0000 174.7198 34 L 4.1987 7.6278 117.7073 54.4688 42.0771 176.7581 35 V 4.0752 7.2537 118.5664 59.9281 33.0562 173.2748 36 P 4.4377 0.0000 0.0000 62.3561 31.8978 175.7460 37 D 4.6099 8.5645 120.4629 55.9672 41.2768 177.1721 38 G 4.0226 9.1374 110.5336 46.4643 0.0000 174.7192 39 Y 3.9739 8.1286 121.0105 60.9070 38.8040 178.6330 40 V 3.9130 8.1491 112.7839 64.2883 31.5546 178.3983 41 E 4.0715 8.3020 118.3812 59.2113 29.3887 179.3503 42 G 3.3693 8.1826 105.8925 47.5267 0.0000 175.8231 43 W 3.5425 7.7762 121.5444 58.9661 28.9368 178.4253 44 K 4.0064 8.2266 119.7881 59.4395 31.5165 178.7372 45 K 3.8342 7.8956 119.7749 59.6631 32.0778 178.8068 46 T 3.6185 7.4044 115.9194 66.7004 68.0664 176.6084 47 F 4.2570 7.6087 118.4506 60.4331 38.9435 177.1152 48 E 4.2523 8.2480 117.1363 58.0739 29.6425 177.7502 49 E 4.4956 8.3058 117.0033 56.7699 31.3977 176.8873 50 D 4.5632 7.6640 116.8923 56.1581 41.8795 176.9951 51 F 4.7555 7.8797 117.8007 57.8570 39.3262 174.9773 52 S 4.6044 8.3935 118.9802 55.3623 65.6361 173.5597 53 P 4.6354 0.0000 0.0000 65.0725 31.0710 178.7569 54 R 3.8833 8.0497 118.6606 59.0719 29.8362 179.0988 55 R 3.7489 7.8871 118.3549 59.1177 30.0400 179.0867 56 G 3.5916 7.8511 105.0492 47.8107 0.0000 175.4478 57 A 3.8705 8.1414 123.1830 54.7922 18.3812 179.2964 58 E 3.7884 8.1047 117.8286 59.3762 29.6464 179.0813 59 L 3.6777 7.6791 118.9929 57.5950 41.5700 179.7229 60 V 3.1958 7.6820 117.8907 65.8169 31.2830 177.9438 61 A 3.9606 7.8164 120.6405 54.9729 18.2495 179.5960 62 R 3.8188 8.0079 116.9618 59.6210 29.9637 178.5885 63 A 4.3102 8.0333 119.2339 55.2295 18.4384 179.4160 64 W 4.6166 8.5177 117.0947 59.1472 29.2069 177.7256 65 T 4.8426 7.6438 107.1021 60.7925 69.9033 174.2354 66 D 4.6968 8.1675 121.1582 50.8618 42.2244 173.2926 67 P 4.3347 0.0000 0.0000 65.4438 31.3441 178.0489 68 E 3.9910 8.3189 116.9207 59.4190 29.5329 178.9480 69 F 4.1408 8.4610 120.3021 61.0237 39.4427 176.9857 70 R 3.8691 8.3771 118.6455 59.5801 29.7746 178.2129 71 Q 3.9245 8.0249 119.1366 59.0187 29.0457 177.9940 72 L 3.7878 7.7185 121.2817 58.0806 42.1530 178.5683 73 L 3.6627 7.8686 120.4755 58.0285 41.7273 178.5456 74 L 4.2794 7.8235 116.9371 56.2151 41.8394 178.1024 75 T 4.5084 7.3202 108.3785 61.7916 71.5559 174.4465 76 D 4.5818 8.5099 120.9541 50.7909 41.7645 175.1192 77 G 3.7468 8.0458 111.6916 46.6208 0.0000 172.2582 78 T 3.7266 7.5824 117.1644 66.4296 68.5999 176.3531 79 A 3.9353 8.1210 122.2759 54.9221 18.1082 179.5817 80 A 3.9384 7.8465 119.3243 55.4015 18.5219 180.0997 81 V 3.7563 8.1476 116.9071 66.0968 31.5345 178.0897 82 A 4.0730 8.3619 120.7390 55.1641 17.9258 179.5402 83 Q 3.8904 7.9214 115.6836 59.2087 28.8802 177.3370 84 Y 3.6701 7.5417 113.2634 57.7963 38.1320 175.9581 85 G 3.8219 7.9591 107.9938 46.8926 0.0000 173.7789 86 Y 5.0149 7.6638 114.3220 57.3113 38.2490 176.4149 87 L 4.3323 8.0875 120.1144 54.9626 42.5456 176.7081 88 G 4.0670 8.1325 107.6070 45.0475 0.0000 170.6467 89 P 4.5381 0.0000 0.0000 64.4315 31.9162 176.3059 90 Q 3.1770 8.6707 120.2661 56.3430 26.7037 174.5551 91 G 4.4375 7.7007 100.7844 44.7693 0.0000 175.3676 92 E 4.3393 8.1743 117.5346 56.2811 31.6594 175.8777 93 Y 4.4659 7.7402 119.0244 55.8364 41.1017 173.7583 94 I 4.7889 8.0830 128.1339 59.3515 40.1782 175.0899 95 V 4.5208 8.2388 125.8582 60.9476 34.1859 173.9359 96 A 5.0423 8.5866 129.5314 50.8439 20.5372 176.3682 97 V 4.3207 8.5784 115.2639 59.3853 34.7668 174.3752 98 E 4.8737 8.7222 126.4912 54.8630 29.9978 175.4380 99 D 4.9316 9.0076 127.7617 54.8223 42.5423 175.4628 100 T 4.6691 8.6877 110.7229 59.3294 72.5026 172.8885 101 P 4.2969 0.0000 0.0000 65.1369 31.4418 177.5730 102 T 4.5528 7.9645 106.1189 60.8013 69.3322 172.8431 103 L 5.0713 8.1322 124.6764 53.7456 45.7761 174.5122 104 K 5.0697 9.4155 127.9719 54.8067 34.3191 174.3854 105 N 5.5468 9.6115 125.3480 52.1713 41.1498 174.3366 106 V 4.8317 8.8469 121.0083 61.5288 35.4939 173.7864 107 I 5.2746 8.8378 127.8941 59.8556 39.6554 175.1941 108 V 4.4669 8.8862 123.9236 60.6935 34.9610 173.3695 109 C 5.2321 7.8216 119.2061 57.4282 32.2017 174.4950 110 S 4.3216 9.5043 122.0363 60.5305 63.0177 176.1181 111 L 4.0247 7.2372 121.1710 56.5700 41.7822 176.4195 *113 S 4.3187 7.5986 111.0845 58.2726 64.0523 172.5902 *115 T 4.0686 8.0799 115.0145 63.4824 69.4473 175.4199 116 A 4.7991 7.9915 127.4483 50.3560 16.6546 177.6944 117 W 4.6101 8.2144 123.3696 59.0156 29.7130 177.4544 118 P 3.8899 0.0000 0.0000 64.2642 31.2436 177.7754 119 I 4.1865 7.6281 109.6891 60.5033 39.0539 176.5887 120 L 4.3503 8.0543 119.4355 53.7302 42.9670 177.6734 121 G 4.1223 8.0559 103.0804 44.7668 0.0000 173.3356 122 L 3.7339 8.0479 118.8950 53.5644 42.0981 175.9374 123 P 4.0051 0.0000 0.0000 61.9826 32.0186 174.5492 124 P 4.4039 0.0000 0.0000 62.2775 32.5139 177.0741 125 T 3.8061 8.6101 116.4677 66.8856 68.3753 176.6526 126 W 4.2462 8.0417 117.8178 59.7605 27.9197 177.5777 127 Y 3.2043 6.5827 119.4781 59.4767 38.1612 176.8420 128 K 4.3170 7.4540 117.2948 55.8775 33.0901 177.3593 129 S 4.2721 7.3041 115.0420 57.7675 63.8848 175.4280 130 F 4.5808 8.4579 121.0427 60.8265 38.5958 177.7544 131 E 4.0506 8.3491 117.8811 59.7122 29.3951 178.6920 132 Y 4.1734 8.1657 119.3078 60.8714 38.7316 177.8406 133 R 3.8181 8.0306 117.5489 59.2050 30.2183 178.6249 134 A 4.1197 8.1709 119.7659 54.8984 18.8928 179.2895 135 R 4.1779 7.9601 116.3206 58.5812 30.4190 179.5119 136 V 3.7520 7.4171 118.3193 64.4880 31.3043 178.0110 137 V 3.6314 7.5803 118.2466 63.7079 31.6063 176.7027 138 R 4.2982 7.8545 119.0282 56.8232 31.8117 175.7941 139 E 4.7674 8.4899 115.1103 53.5491 29.4281 174.6623 140 P 4.2490 0.0000 0.0000 66.5159 31.8212 178.4682 141 R 3.8558 7.8861 118.0951 59.1150 30.0386 178.2704 142 K 3.9359 7.9540 119.0096 59.3230 32.2839 178.7014 143 V 3.5954 7.9030 118.5093 66.1771 31.4956 177.9735 144 L 4.0051 8.2457 118.9708 57.7542 41.4243 179.4291 145 S 4.3515 8.1315 114.3810 61.0559 62.1390 176.1992 146 E 4.0149 8.2062 119.9296 59.4456 29.2666 178.6047 147 M 4.2354 7.6990 116.7155 55.5303 32.2533 177.0348 148 G 4.0496 7.6645 107.6660 45.3212 0.0000 173.5380 149 T 4.4001 8.5641 117.5367 61.4450 69.9028 173.2092 150 E 4.2173 8.7312 127.0787 55.2839 30.0854 176.1124 151 I 4.2778 8.1392 125.1210 58.9766 38.7339 175.6377 152 A 4.2119 8.4057 128.8273 51.8945 18.8445 178.2732 153 S 4.2011 8.5322 114.5571 61.1068 63.2047 175.0336 154 D 4.7029 8.0453 118.5029 53.4052 39.1619 175.3615 155 I 4.5755 7.3201 120.0442 59.5669 40.0444 174.9321 156 E 4.1538 9.1713 128.9743 56.2057 30.7077 175.2197 157 I 4.8992 8.3234 127.5334 59.8051 39.2786 174.8739 158 R 4.4665 9.0349 127.2040 54.4901 32.7352 174.0048 159 V 4.7338 8.3179 126.4698 61.6505 33.2691 174.2841 160 Y 4.1766 9.1302 126.6597 56.6007 39.2736 174.1588 161 D 4.9714 8.5594 125.2263 53.5721 42.2076 176.9789 162 T 4.7402 9.1436 125.3606 63.0048 66.6061 174.6351 163 T 4.4912 8.4327 112.7856 61.3857 71.2373 175.5349 164 A 4.6201 7.3551 126.9448 52.1790 18.7858 177.8701 165 E 4.3497 8.7038 116.6586 59.0425 30.4339 176.4357 166 T 4.2303 7.7089 115.8843 63.8031 69.2905 173.7357 167 R 4.5170 8.8243 124.7426 54.5670 33.0615 174.5367 168 Y 5.8416 8.8975 120.8166 55.8732 40.6826 174.8901 169 M 4.9031 8.2885 117.7082 53.5925 35.1844 174.0375 170 V 4.2721 8.5235 121.5010 62.2416 33.0479 175.4854 171 L 4.4962 8.9181 131.3156 53.0520 42.2720 174.0454 172 P 5.2720 0.0000 0.0000 61.5658 32.6732 176.1259 173 Q 4.3011 8.6259 119.2710 55.8968 29.5364 176.1979 174 R 2.7886 8.0264 123.2022 54.2673 30.8998 174.5373 175 P 4.1912 0.0000 0.0000 61.8754 32.2202 175.7298 176 A 4.0432 8.0659 123.4915 53.8899 18.6918 178.0566 177 G 3.8745 8.9277 109.4990 45.4279 0.0000 174.2960 178 T 2.4800 6.7422 108.0245 60.2580 68.8973 173.9869 179 E 4.0382 7.6004 122.2070 58.2011 29.6763 177.4861 180 G 4.0786 8.9415 111.8181 45.0518 0.0000 173.7378 181 W 4.5972 7.9214 119.7167 56.6287 29.7949 176.7269 182 S 4.5468 9.2454 117.1647 58.0788 64.6231 175.5436 183 Q 4.1131 8.6353 121.1284 59.0997 28.1909 178.7323 184 E 3.9650 8.1369 118.9829 59.4967 29.6773 178.4739 185 Q 4.0862 8.1872 118.0633 58.9400 28.7559 178.7597 186 L 4.6075 8.5092 120.1825 58.0540 41.8456 179.3901 187 Q 4.0570 8.6658 118.4621 59.1839 28.4008 178.9514 188 E 4.1241 7.9443 117.6302 58.5307 29.5655 178.3237 189 I 4.5579 7.7543 110.7938 60.2239 38.5169 175.9505 190 V 4.0020 7.5175 121.2588 62.1770 30.7053 175.7823 191 T 4.4801 7.9864 118.4447 59.7931 72.0170 175.0513 192 K 3.8083 8.5388 121.3276 60.1958 32.0329 178.2508 193 D 4.6222 8.1673 118.1298 57.4144 40.5256 178.4055 194 C 4.7129 7.5634 118.3072 62.2764 28.3419 175.7186 195 L 4.1615 7.9226 120.6925 57.7447 41.1284 179.5640 196 I 3.9135 7.9993 120.1109 63.2416 36.9075 177.5484 197 G 4.3707 8.0169 104.6803 46.2067 0.0000 174.7111 198 V 3.9631 7.9267 111.7198 62.1207 32.2986 175.7423 199 A 4.8970 7.6795 121.4824 49.0702 21.9351 174.5161 200 I 4.6128 8.0009 120.3010 58.5261 39.2593 174.4294 201 P 4.4327 0.0000 0.0000 63.0540 31.7939 175.6544 202 Q 4.6542 8.4316 120.7909 53.8415 31.2539 175.4208 203 V 3.9696 8.2435 122.0573 61.3900 32.1434 174.1314 204 P 4.5019 0.0000 0.0000 63.2391 30.9823 176.0037 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 14 A 8.26 4.39 1.28 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 0.00 0.00 15 Q 8.30 4.35 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 16 A 9.28 4.20 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 17 P 0.00 4.37 0.00 2.32 2.03 0.00 3.75 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 2.23 2.18 0.00 18 V 8.42 3.65 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 0.91 0.00 0.00 0.91 0.00 0.00 19 S 8.15 4.16 0.00 4.01 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 20 D 8.16 4.51 0.00 2.96 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 21 R 8.20 3.97 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 22 A 8.45 3.90 1.09 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 23 W 8.37 4.37 0.00 3.57 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 24 A 8.38 4.14 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 25 L 8.13 3.90 0.00 1.80 1.90 0.93 0.75 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 26 F 8.29 4.13 0.00 3.18 3.45 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 27 R 8.87 3.95 0.00 2.02 2.04 0.00 3.29 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.29 0.00 28 A 8.42 3.97 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 29 L 7.68 4.02 0.00 1.59 1.62 0.91 0.84 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 30 D 8.12 4.21 0.00 1.68 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 0.00 0.00 0.00 31 G 8.17 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 32 K 7.07 4.50 0.00 1.81 1.80 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.55 7.81 33 G 7.80 3.86 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 0.00 0.00 0.00 34 L 7.63 4.20 0.00 1.73 1.65 0.88 0.59 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 35 V 7.25 4.08 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 1.03 0.00 0.00 0.80 0.00 0.00 36 P 0.00 4.44 0.00 2.37 2.02 0.00 3.10 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 37 D 8.56 4.61 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.14 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 0.00 0.00 0.00 39 Y 8.13 3.97 0.00 3.39 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 40 V 8.15 3.91 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 1.19 0.00 0.00 0.96 0.00 0.00 41 E 8.30 4.07 0.00 2.20 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 2.42 2.47 0.00 42 G 8.18 3.37 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 0.00 43 W 7.78 3.54 0.00 3.29 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 44 K 8.23 4.01 0.00 1.97 1.97 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.51 7.81 45 K 7.90 3.83 0.00 1.85 1.75 0.00 1.55 0.00 0.00 1.52 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.59 1.54 7.81 46 T 7.40 3.62 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 0.16 0.00 0.00 47 F 7.61 4.26 0.00 3.03 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 48 E 8.25 4.25 0.00 1.99 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 2.32 2.50 0.00 49 E 8.31 4.50 0.00 1.94 1.92 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 2.20 2.26 0.00 50 D 7.66 4.56 0.00 2.60 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 51 F 7.88 4.76 0.00 3.05 3.11 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 0.00 52 S 8.39 4.60 0.00 3.76 3.58 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 53 P 0.00 4.64 0.00 2.28 2.40 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.01 3.82 0.00 1.78 1.79 0.00 3.07 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 63 A 8.03 4.31 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.52 4.62 0.00 3.54 3.14 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 0.00 65 T 7.64 4.84 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 1.41 0.00 0.00 66 D 8.17 4.70 0.00 2.74 2.83 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 67 P 0.00 4.33 0.00 2.24 2.15 0.00 3.71 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 68 E 8.32 3.99 0.00 2.27 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 0.00 2.43 2.41 0.00 69 F 8.46 4.14 0.00 3.33 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 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0.00 0.00 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 79 A 8.12 3.94 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 80 A 7.85 3.94 0.96 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 81 V 8.15 3.76 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 1.11 0.00 0.00 1.01 0.00 0.00 82 A 8.36 4.07 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 83 Q 7.92 3.89 0.00 2.48 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 84 Y 7.54 3.67 0.00 2.62 1.58 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 85 G 7.96 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 86 Y 7.66 5.01 0.00 3.04 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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130 F 8.46 4.58 0.00 3.07 3.03 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 0.00 0.00 0.00 0.00 131 E 8.35 4.05 0.00 2.19 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 2.47 2.52 0.00 132 Y 8.17 4.17 0.00 3.35 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 0.00 133 R 8.03 3.82 0.00 2.00 2.15 0.00 3.28 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 134 A 8.17 4.12 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 0.00 135 R 7.96 4.18 0.00 2.01 1.97 0.00 3.16 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 136 V 7.42 3.75 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 0.04 0.00 0.00 0.88 0.00 0.00 137 V 7.58 3.63 1.98 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 0.66 0.00 0.00 0.86 0.00 0.00 138 R 7.85 4.30 0.00 1.74 1.94 0.00 3.15 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 139 E 8.49 4.77 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 2.21 2.26 0.00 140 P 0.00 4.25 0.00 2.29 2.47 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 141 R 7.89 3.86 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 142 K 7.95 3.94 0.00 1.86 1.90 0.00 1.78 0.00 0.00 2.11 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.50 7.81 143 V 7.90 3.60 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 1.15 0.00 0.00 0.98 0.00 0.00 144 L 8.25 4.01 0.00 1.93 1.93 1.08 0.90 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 0.00 145 S 8.13 4.35 0.00 3.96 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 0.00 146 E 8.21 4.01 0.00 2.13 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 2.35 2.48 0.00 147 M 7.70 4.24 0.00 1.78 2.11 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.36 0.00 148 G 7.66 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 0.00 0.00 0.00 149 T 8.56 4.40 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 1.23 0.00 0.00 150 E 8.73 4.22 0.00 1.95 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 2.27 2.26 0.00 151 I 8.14 4.28 1.88 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 1.37 0.87 0.93 0.00 0.00 152 A 8.41 4.21 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 0.00 153 S 8.53 4.20 0.00 3.99 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 0.00 154 D 8.05 4.70 0.00 2.81 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 0.00 155 I 7.32 4.58 2.02 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 1.26 0.68 0.95 0.00 0.00 156 E 9.17 4.15 0.00 2.05 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 2.30 2.28 0.00 157 I 8.32 4.90 1.87 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 1.25 0.73 0.93 0.00 0.00 158 R 9.03 4.47 0.00 1.81 1.92 0.00 3.28 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.26 0.00 159 V 8.32 4.73 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 0.80 0.00 0.00 0.90 0.00 0.00 160 Y 9.13 4.18 0.00 2.54 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 0.00 0.00 0.00 0.00 161 D 8.56 4.97 0.00 2.65 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 0.00 162 T 9.14 4.74 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 1.34 0.00 0.00 163 T 8.43 4.49 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 1.31 0.00 0.00 164 A 7.36 4.62 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 0.00 165 E 8.70 4.35 0.00 1.81 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 2.16 2.17 0.00 166 T 7.71 4.23 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 0.50 0.00 0.00 167 R 8.82 4.52 0.00 1.56 1.68 0.00 3.16 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 168 Y 8.90 5.84 0.00 2.83 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 0.00 169 M 8.29 4.90 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 170 V 8.52 4.27 2.38 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 0.78 0.00 0.00 1.10 0.00 0.00 171 L 8.92 4.50 0.00 1.76 1.59 0.77 0.73 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 0.00 172 P 0.00 5.27 0.00 2.38 2.18 0.00 3.10 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 2.10 2.18 0.00 173 Q 8.63 4.30 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 174 R 8.03 2.79 0.00 0.67 1.11 0.00 2.54 0.00 0.00 2.79 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.50 0.00 175 P 0.00 4.19 0.00 2.05 2.02 0.00 3.01 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 1.75 1.98 0.00 176 A 8.07 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 G 8.93 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 0.00 178 T 6.74 2.48 2.98 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 0.00 179 E 7.60 4.04 0.00 1.91 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 2.24 2.25 0.00 180 G 8.94 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 0.00 181 W 7.92 4.60 0.00 3.37 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 0.00 182 S 9.25 4.55 0.00 4.06 4.03 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 0.00 0.00 0.00 0.00 183 Q 8.64 4.11 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 184 E 8.14 3.97 0.00 1.96 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 2.29 2.48 0.00 185 Q 8.19 4.09 0.00 2.33 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.07 2.27 0.00 186 L 8.51 4.61 0.00 2.12 2.21 1.27 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 187 Q 8.67 4.06 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 188 E 7.94 4.12 0.00 2.22 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 2.52 2.46 0.00 189 I 7.75 4.56 2.20 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.90 1.31 0.00 0.00 190 V 7.52 4.00 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 0.68 0.00 0.00 0.77 0.00 0.00 191 T 7.99 4.48 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 1.26 0.00 0.00 192 K 8.54 3.81 0.00 1.86 1.93 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.70 7.81 193 D 8.17 4.62 0.00 2.78 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 0.00 194 C 7.56 4.71 0.00 3.10 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 0.00 195 L 7.92 4.16 0.00 1.88 1.70 0.94 0.75 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 0.00 196 I 8.00 3.91 2.10 0.00 0.00 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 1.32 0.69 1.28 0.00 0.00 197 G 8.02 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 0.00 0.00 0.00 0.00 198 V 7.93 3.96 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 1.04 0.00 0.00 0.99 0.00 0.00 199 A 7.68 4.90 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 0.00 200 I 8.00 4.61 1.90 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 1.46 0.72 0.94 0.00 0.00 201 P 0.00 4.43 0.00 2.20 2.39 0.00 3.74 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 2.43 2.34 0.00 202 Q 8.43 4.65 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 203 V 8.24 3.97 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 0.97 0.00 0.00 0.76 0.00 0.00 204 P 0.00 4.50 0.00 2.28 2.11 0.00 4.31 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.