NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.2959 8.2544 119.0702 56.4097 32.0466 176.3771 8 T 4.1041 7.4516 112.6481 60.5590 69.5769 173.5765 9 K 3.9510 8.6683 124.9822 59.4349 32.6035 179.0318 10 K 3.8369 7.8456 119.3489 59.5982 32.1426 178.4914 11 Q 3.9648 8.0318 119.1151 59.0164 29.0276 177.6360 12 A 4.0202 8.1403 121.9150 55.1062 18.3120 179.7579 13 I 3.5671 7.6760 117.8855 64.5375 37.2110 178.6061 14 L 3.7653 7.8926 119.7010 57.8903 41.4382 179.5848 15 E 3.8496 8.5403 118.8502 59.5633 29.2253 179.5911 16 T 3.7411 8.0097 115.7026 66.4659 68.4659 176.6660 17 A 3.2626 8.0180 123.1154 54.5303 18.1131 179.2665 18 L 3.7090 7.6922 118.9147 58.3917 42.1461 179.1808 19 Q 3.9817 7.8037 117.6729 59.1677 28.7316 179.1225 20 L 4.0524 7.9594 119.9516 57.8334 41.2848 179.6148 21 F 5.2795 8.7385 119.3154 59.6954 38.5193 177.9321 22 V 3.9772 7.6597 117.8180 65.9428 31.6857 177.9622 23 S 4.4114 8.1715 112.3868 60.3737 63.2836 174.6055 24 Q 4.4319 8.8998 118.9714 54.4892 30.6631 176.2871 25 G 4.3705 8.2874 104.2081 45.8748 0.0000 174.6523 26 F 3.8850 8.4918 119.7576 61.5450 39.3121 177.2262 27 H 4.2113 8.2444 115.2109 57.7427 28.7886 176.5187 28 G 4.0419 7.9945 105.8993 45.7598 0.0000 173.3800 29 T 4.5846 7.4552 117.6264 61.6845 70.6552 174.7361 30 S 4.7250 8.2971 121.2743 57.2698 66.2796 175.4250 31 T 3.8462 8.4030 113.4195 64.7264 68.4052 176.5749 32 A 3.9708 7.9714 123.2502 55.3714 18.4560 179.3911 33 T 3.7835 7.8360 114.2317 66.8425 68.4444 176.6852 34 I 3.5435 7.6467 121.2361 64.4153 37.0913 178.1660 35 A 3.9238 8.0792 121.5223 55.1806 18.2954 179.6286 36 R 3.7926 8.1595 117.0928 59.8497 30.0489 178.7482 37 E 3.9845 8.2689 116.9321 59.0727 29.5136 178.7021 38 A 4.3032 7.6139 120.9191 51.8159 18.5884 177.8334 39 G 3.8077 7.7772 104.7751 46.4349 0.0000 173.8788 40 V 4.4670 7.7880 111.2702 58.5529 35.1128 175.7808 41 A 4.2732 8.2414 124.6247 51.9121 19.3535 178.8769 42 T 4.0193 8.7893 111.9585 65.1043 68.4568 176.9090 43 G 3.7726 8.1987 107.8351 48.1066 0.0000 175.6380 44 T 3.9440 7.9646 118.0915 66.0959 68.3826 176.5570 45 L 4.0264 7.8536 121.8222 58.3511 42.2202 178.9419 46 F 5.0588 8.0217 118.3252 59.6232 38.5690 177.3567 47 H 4.2458 7.8908 117.3657 59.7951 29.8235 176.7717 48 H 4.2670 7.5565 116.4056 57.0810 29.0509 175.4349 49 F 4.7971 8.2962 119.2533 54.9245 40.6313 173.3947 50 P 4.7123 0.0000 0.0000 64.2650 31.7929 177.2711 51 S 5.0175 7.8688 111.6789 55.6890 67.4673 174.6585 52 K 4.1598 8.8032 122.5503 59.4520 31.9406 178.7219 53 E 4.0714 8.4532 118.7010 59.6949 29.4245 179.1779 54 Q 4.1180 8.2007 117.8360 58.7846 28.6997 178.5953 55 L 3.4795 8.0065 121.0228 57.9345 42.0514 178.7793 56 L 4.1790 8.2861 120.3141 58.2987 41.9939 178.8373 57 E 4.0518 8.3891 118.5332 59.6031 29.4361 179.4162 58 Q 4.1494 8.5510 118.4358 58.6746 28.7027 178.4566 59 L 3.8581 8.1899 121.5609 58.0420 42.1501 178.5057 60 F 4.5892 8.7412 120.9688 61.8579 39.2628 177.1965 61 L 4.1168 8.4754 118.4719 57.4811 41.3924 179.8179 62 G 3.6044 8.2297 105.8224 47.8902 0.0000 176.0004 63 V 3.6540 8.0534 121.6923 65.4264 31.4574 178.0884 64 K 3.9945 8.2231 118.3713 59.6069 31.7788 179.0380 65 Q 3.9609 8.4373 119.9775 59.1680 28.9433 178.0078 66 E 3.9929 8.3042 119.6014 59.4147 29.5768 179.0980 67 F 3.0951 8.3222 120.3429 60.9568 39.3713 176.9511 68 A 3.8760 8.1904 120.4497 55.2288 18.2171 179.3212 69 D 4.1653 8.3333 117.4052 57.3836 40.4133 178.9456 70 A 3.9985 8.0254 121.5249 55.1804 18.2245 179.7940 71 I 3.6096 7.1475 110.3537 64.1262 37.9132 178.1793 72 Q 3.8394 7.8373 119.6266 58.4493 28.2863 178.3432 73 A 4.0422 7.8238 120.7178 54.5416 18.4777 178.9319 74 S 4.4020 7.4475 110.9530 58.1981 63.5033 174.2823 75 V 4.1801 7.0139 122.4237 62.1032 32.0919 176.4399 76 S 4.6422 8.7781 124.7003 56.3605 62.2097 172.8895 77 S 4.8571 7.9679 116.5634 57.8737 62.9991 174.0056 78 R 4.4492 8.7983 124.2284 55.7723 31.0699 176.6681 79 G 3.9410 8.0091 107.1880 45.0747 0.0000 173.7737 80 D 4.6222 7.8612 119.7622 52.8715 42.2466 176.0400 81 L 4.0141 8.5254 128.9551 58.2820 42.3130 178.6015 82 K 3.0705 8.0004 119.0299 59.2560 32.0285 178.2984 83 Q 3.8247 8.6207 120.1518 59.2718 29.0808 177.9957 84 D 4.3769 8.3552 119.7992 57.2797 40.7831 178.5904 85 A 4.3287 8.6607 121.8441 55.1021 18.4108 179.3524 86 E 2.7657 8.2232 117.8692 59.2039 29.6329 179.0279 87 Q 4.0997 8.1222 118.0552 59.0547 28.7819 178.9576 88 L 4.0349 8.2844 120.1171 57.4265 41.7059 179.3736 89 W 4.0907 8.5061 128.4746 60.6852 30.6268 178.1524 90 F 4.6193 8.4011 117.2984 60.2094 38.3207 177.7118 91 A 4.0966 8.4559 120.7886 54.8311 18.1523 179.5681 92 A 3.9292 8.1422 119.4082 55.4611 18.3049 179.9458 93 L 3.8448 7.6858 116.1840 58.0435 41.6597 179.5768 94 T 4.0297 8.1464 115.2643 66.3112 68.7166 176.1272 95 W 4.2883 8.5614 130.0963 60.3164 30.4981 178.2859 96 A 3.8945 8.1446 115.4274 53.2890 17.7525 177.9620 *98 A 4.2005 7.9247 124.2242 52.8514 20.8736 177.7515 99 N 4.6960 7.2015 113.2255 50.0002 38.6886 173.1485 100 P 4.1090 0.0000 0.0000 65.4329 31.7534 178.5879 101 L 3.8883 7.6301 119.5272 58.0923 42.2916 178.9966 102 K 3.9383 7.7435 117.9063 59.2503 31.8821 179.0976 103 Q 4.1476 8.1292 119.9393 59.1604 29.0351 177.9408 104 A 4.0392 8.2187 121.9398 55.1439 18.3393 179.3195 105 F 4.3893 8.4868 119.1836 61.5711 39.3804 177.4691 106 F 4.6504 8.3259 117.2629 60.9546 38.5715 177.5741 107 Q 4.0506 8.3270 116.5091 59.0937 28.5540 178.7474 108 L 4.0144 7.9889 118.8926 56.7092 41.8710 177.9125 109 Y 4.5298 7.8267 114.0196 58.1009 39.9884 177.1452 110 S 4.4279 8.2298 114.5608 60.4469 63.2320 174.2965 *112 S 4.1956 7.7046 114.9338 57.4052 63.6181 172.8004 113 P 4.3145 0.0000 0.0000 64.2613 31.3832 178.0084 114 T 3.8631 7.5464 115.9231 66.3243 68.4909 175.3234 115 V 3.5650 6.7116 120.2665 61.6146 32.3403 176.0264 116 E 3.8939 8.5024 125.8236 56.9334 30.8404 178.0605 117 Q 3.9269 8.7161 123.6897 59.4281 29.1044 178.6652 118 S 4.0716 8.0239 113.5628 61.5199 62.5105 176.2910 119 V 3.6816 7.6631 120.3332 66.0252 31.1757 178.0767 120 R 4.1842 7.8177 116.9773 59.3045 29.9038 178.5002 121 D 4.4663 8.1493 118.2828 57.3467 41.1236 178.1778 122 Q 4.1841 8.2059 119.9223 58.9844 28.9199 177.8338 123 A 3.9660 7.8649 117.9277 53.6013 17.8201 178.4918 *125 H 4.5572 8.1414 117.0914 56.2318 30.2149 173.8432 126 G 3.8644 7.3115 108.5957 47.0982 0.0000 176.0316 127 I 3.7488 7.7954 122.3179 63.1206 37.8091 177.8077 128 L 4.6603 8.1071 119.7806 54.2724 42.0511 178.9724 129 G 3.7350 7.9379 109.1199 47.7805 0.0000 175.9739 130 F 4.3224 8.2467 116.1960 59.6289 37.8241 177.5972 131 I 3.4418 6.7976 120.5621 64.1711 36.7730 178.1067 132 A 3.9917 7.7955 121.1329 55.0613 18.2361 179.1181 133 E 3.8927 7.9961 117.9786 59.4612 29.7007 179.1118 134 L 4.1106 8.1585 119.0831 57.7122 41.6589 179.5752 135 I 3.6784 7.8586 119.8484 64.4248 37.0913 178.5585 136 R 3.9173 8.1973 119.0706 59.4899 30.0029 179.1675 137 Q 4.1372 8.3612 117.8755 58.9908 28.6407 179.1589 138 G 3.7029 8.3731 106.7414 47.4526 0.0000 175.9160 139 Q 4.1744 8.4962 121.5617 58.2109 28.5749 178.4062 140 A 4.0649 7.9420 121.0576 54.5884 18.7694 178.8873 141 S 4.4873 8.1284 110.8488 58.1653 63.2706 175.4688 142 G 3.8642 7.5625 110.0006 46.6312 0.0000 174.3594 143 E 4.4243 8.0866 120.8459 56.3819 30.4951 176.0013 144 L 4.5665 7.7030 118.1805 52.0312 44.1317 176.0732 145 A 3.7296 7.8731 124.5364 52.4550 18.9284 178.0985 146 E 4.1891 7.7414 120.7419 54.8880 28.1204 175.2301 147 Y 4.8640 7.0246 119.0308 54.9297 40.8139 174.0791 148 P 4.3125 0.0000 0.0000 62.8717 31.8700 177.7704 149 I 3.7572 8.4321 123.1397 64.0014 38.4352 176.6751 150 E 4.0884 8.2041 120.8595 59.0378 29.8237 178.3984 151 L 4.2649 7.5679 117.2050 55.5476 41.7236 178.1207 *153 Q 4.2434 8.2045 119.9453 55.7101 30.8557 176.8220 154 D 4.4477 8.2795 117.7306 57.2644 40.6410 178.2827 155 N 4.3073 8.4241 117.7221 56.8742 38.9425 176.5031 156 C 4.4162 8.2172 117.6367 63.3587 28.3136 175.5111 157 H 4.4342 8.5292 119.6569 59.4221 29.5139 177.5413 158 G 3.6810 8.6572 107.9453 48.0028 0.0000 175.7294 159 Q 4.2303 8.6896 120.7220 58.7505 28.7178 178.0835 160 Y 4.2372 8.7267 120.8403 60.9011 38.9206 178.2122 161 L 3.9432 8.5551 121.0029 56.9575 41.6737 179.4525 162 A 3.9858 8.2844 120.7099 55.1776 18.3308 179.6156 163 A 4.0613 8.3692 119.7396 55.4472 18.6240 179.9432 164 T 3.8637 7.9639 108.4155 64.4034 68.8181 177.1417 165 R 3.9245 7.9648 121.7962 59.4126 30.1518 177.6285 166 Y 4.0396 7.9662 119.2009 61.0620 38.6635 178.3319 167 F 4.4546 8.3873 118.2511 60.0889 38.7844 178.0519 168 V 3.6350 7.7496 117.6886 65.8991 31.3887 177.5213 169 D 4.4500 8.1417 118.1001 56.0047 42.2165 176.4250 170 H 4.9681 7.9094 116.0090 52.6726 28.8956 172.3520 171 P 4.8376 0.0000 0.0000 65.1190 31.4110 178.4867 172 E 4.0612 8.2570 117.1214 59.3061 29.5747 179.0366 173 R 4.3187 8.2598 118.9011 58.4415 29.9472 178.4862 174 W 4.0351 8.1406 127.7839 59.8960 30.7330 177.1351 175 Q 4.1490 7.7685 116.0023 55.5695 28.6700 175.4375 176 Q 4.4188 7.6525 120.6816 53.9212 29.8366 176.0216 177 A 3.8638 8.6869 126.3928 55.5986 18.3056 178.8091 178 H 4.3163 8.2717 113.0100 58.7229 28.7714 177.6702 179 E 4.0999 7.9154 120.8585 59.3461 29.5911 179.2621 180 R 4.4166 8.0840 118.0314 59.6912 30.1722 179.3306 181 S 4.5609 8.7320 115.1264 61.7261 62.8433 176.6613 182 A 4.1893 8.4935 123.7966 55.1015 18.0900 179.8398 183 S 4.3392 8.5768 112.8355 61.8159 63.2360 176.5997 184 F 3.5083 8.7485 123.9363 60.5186 39.0007 176.8836 185 A 3.9388 8.2792 120.5282 55.2037 17.8976 179.6256 186 L 3.8675 7.9701 117.4197 57.6979 41.4348 179.5431 187 F 4.1633 7.2922 120.4164 60.3739 39.3197 176.7213 188 W 3.6680 7.5563 126.6964 60.4503 30.5833 177.5855 189 N 4.3246 8.1162 114.8279 55.6521 37.9338 176.8906 190 A 3.8331 6.9693 118.0720 52.7230 18.5176 176.6846 *192 A 3.7851 7.2318 119.1339 51.6693 19.7532 177.7246 193 V 3.6141 7.9616 113.8621 61.6138 32.5113 176.8402 194 R 4.2612 8.2161 121.5041 56.4047 30.4684 175.3949 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 7 R 8.25 4.30 0.00 1.85 1.91 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 8 T 7.45 4.10 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 1.23 0.00 0.00 9 K 8.67 3.95 0.00 1.86 1.87 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.51 7.81 10 K 7.85 3.84 0.00 1.50 1.73 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.62 1.21 7.81 11 Q 8.03 3.96 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 12 A 8.14 4.02 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 13 I 7.68 3.57 2.19 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.84 0.00 0.00 14 L 7.89 3.77 0.00 1.79 1.62 1.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.54 3.85 0.00 1.98 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 2.25 2.28 0.00 16 T 8.01 3.74 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 1.17 0.00 0.00 17 A 8.02 3.26 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 18 L 7.69 3.71 0.00 1.57 1.71 0.55 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.80 3.98 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 20 L 7.96 4.05 0.00 1.49 1.71 0.82 1.17 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 21 F 8.74 5.28 0.00 3.18 3.20 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 22 V 7.66 3.98 2.43 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 0.95 0.00 0.00 1.32 0.00 0.00 23 S 8.17 4.41 0.00 4.11 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 24 Q 8.90 4.43 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.52 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 25 G 8.29 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 26 F 8.49 3.89 0.00 2.96 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 27 H 8.24 4.21 0.00 3.25 3.33 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.99 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 0.00 0.00 0.00 29 T 7.46 4.58 4.63 0.00 0.00 0.00 0.00 0.00 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 30 S 8.30 4.73 0.00 4.06 3.98 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 31 T 8.40 3.85 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 1.24 0.00 0.00 32 A 7.97 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 33 T 7.84 3.78 4.38 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 1.20 0.00 0.00 34 I 7.65 3.54 1.88 0.00 0.00 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 1.23 0.80 0.72 0.00 0.00 35 A 8.08 3.92 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 36 R 8.16 3.79 0.00 1.96 2.15 0.00 3.14 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 1.70 0.00 37 E 8.27 3.98 0.00 1.90 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 2.43 2.43 0.00 38 A 7.61 4.30 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 39 G 7.78 3.81 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 0.00 0.00 0.00 40 V 7.79 4.47 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 0.74 0.00 0.00 0.96 0.00 0.00 41 A 8.24 4.27 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 42 T 8.79 4.02 4.49 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 1.29 0.00 0.00 43 G 8.20 3.77 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 0.00 0.00 0.00 44 T 7.96 3.94 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 1.27 0.00 0.00 45 L 7.85 4.03 0.00 1.60 1.45 0.80 0.43 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 46 F 8.02 5.06 0.00 3.26 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 47 H 7.89 4.25 0.00 3.07 3.45 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 7.56 4.27 0.00 2.75 2.21 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.30 4.80 0.00 3.01 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 50 P 0.00 4.71 0.00 2.32 2.22 0.00 3.83 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 51 S 7.87 5.02 0.00 4.25 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 52 K 8.80 4.16 0.00 1.92 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.63 7.81 53 E 8.45 4.07 0.00 2.22 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 0.00 2.48 2.55 0.00 54 Q 8.20 4.12 0.00 2.44 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 55 L 8.01 3.48 0.00 1.55 1.89 -0.24 0.06 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 56 L 8.29 4.18 0.00 1.67 1.66 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.39 4.05 0.00 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0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 66 E 8.30 3.99 0.00 2.41 2.22 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 2.41 2.54 0.00 67 F 8.32 3.10 0.00 2.31 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 68 A 8.19 3.88 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 69 D 8.33 4.17 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.03 4.00 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 71 I 7.15 3.61 1.65 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.41 0.37 0.00 0.00 72 Q 7.84 3.84 0.00 1.93 1.88 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 1.33 1.72 0.00 73 A 7.82 4.04 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 74 S 7.45 4.40 0.00 4.00 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 75 V 7.01 4.18 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 0.77 0.00 0.00 0.99 0.00 0.00 76 S 8.78 4.64 0.00 3.84 3.76 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 77 S 7.97 4.86 0.00 3.83 3.76 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 78 R 8.80 4.45 0.00 1.94 1.90 0.00 3.21 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 79 G 8.01 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 0.00 0.00 0.00 80 D 7.86 4.62 0.00 2.79 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 81 L 8.53 4.01 0.00 1.91 1.81 1.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.00 3.07 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 0.00 127 I 7.80 3.75 2.04 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 1.65 0.61 0.94 0.00 0.00 128 L 8.11 4.66 0.00 1.59 1.34 0.75 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.94 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 0.00 130 F 8.25 4.32 0.00 3.24 3.32 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 0.00 131 I 6.80 3.44 1.68 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 1.04 -0.36 0.87 0.00 0.00 132 A 7.80 3.99 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 0.00 133 E 8.00 3.89 0.00 2.11 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 0.00 2.36 2.45 0.00 134 L 8.16 4.11 0.00 2.01 1.84 1.20 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.86 3.68 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.85 0.84 0.00 0.00 136 R 8.20 3.92 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 137 Q 8.36 4.14 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 138 G 8.37 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.50 4.17 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.28 0.00 140 A 7.94 4.06 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 S 8.13 4.49 0.00 4.13 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 0.00 142 G 7.56 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 0.00 143 E 8.09 4.42 0.00 2.24 2.22 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 2.45 2.38 0.00 144 L 7.70 4.57 0.00 1.47 1.24 0.84 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.87 3.73 0.27 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 0.00 146 E 7.74 4.19 0.00 1.83 1.82 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 2.12 2.15 0.00 147 Y 7.02 4.86 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.31 0.00 2.19 2.00 0.00 3.65 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 2.12 2.10 0.00 149 I 8.43 3.76 1.86 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 1.29 0.73 0.91 0.00 0.00 150 E 8.20 4.09 0.00 2.06 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 2.41 2.39 0.00 151 L 7.57 4.26 0.00 1.80 1.80 0.88 0.63 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 *153 Q 8.20 4.24 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 154 D 8.28 4.45 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 0.00 155 N 8.42 4.31 0.00 2.88 2.79 0.00 0.00 7.19 7.76 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 0.00 156 C 8.22 4.42 0.00 3.35 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 0.00 157 H 8.53 4.43 0.00 3.37 3.55 0.00 5.78 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 0.00 158 G 8.66 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Q 8.69 4.23 0.00 2.48 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 160 Y 8.73 4.24 0.00 3.30 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 0.00 161 L 8.56 3.94 0.00 1.92 1.85 0.83 0.70 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 0.00 162 A 8.28 3.99 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 0.00 163 A 8.37 4.06 1.67 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 0.00 0.00 164 T 7.96 3.86 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 0.62 0.00 0.00 165 R 7.96 3.92 0.00 2.04 2.24 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 166 Y 7.97 4.04 0.00 3.06 2.88 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 0.00 167 F 8.39 4.45 0.00 3.10 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 0.00 168 V 7.75 3.63 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 0.80 0.00 0.00 0.95 0.00 0.00 169 D 8.14 4.45 0.00 2.54 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 0.00 0.00 0.00 0.00 170 H 7.91 4.97 0.00 2.73 3.02 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.84 0.00 2.32 2.34 0.00 3.86 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.89 0.00 172 E 8.26 4.06 0.00 2.23 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 0.00 2.42 2.38 0.00 173 R 8.26 4.32 0.00 2.22 2.31 0.00 2.83 0.00 0.00 3.47 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 174 W 8.14 4.04 0.00 3.20 3.33 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 0.00 175 Q 7.77 4.15 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.48 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 176 Q 7.65 4.42 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 177 A 8.69 3.86 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 0.00 178 H 8.27 4.32 0.00 3.44 3.61 0.00 5.47 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 E 7.92 4.10 0.00 2.58 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 2.22 2.70 0.00 180 R 8.08 4.42 0.00 1.86 1.77 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.48 0.00 181 S 8.73 4.56 0.00 4.03 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 0.00 182 A 8.49 4.19 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 0.00 183 S 8.58 4.34 0.00 4.81 4.76 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 0.00 184 F 8.75 3.51 0.00 2.99 3.40 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 0.00 185 A 8.28 3.94 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 0.00 186 L 7.97 3.87 0.00 1.87 1.71 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 187 F 7.29 4.16 0.00 1.63 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 0.00 0.00 0.00 0.00 188 W 7.56 3.67 0.00 2.19 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 0.00 189 N 8.12 4.32 0.00 2.75 2.80 0.00 0.00 7.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 A 6.97 3.83 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 *192 A 7.23 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 7.96 3.61 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 0.56 0.00 0.00 1.02 0.00 0.00 194 R 8.22 4.26 0.00 1.62 1.75 0.00 3.22 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.