NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.7144 8.0976 119.6575 56.4031 32.4118 173.6375 3 T 4.8260 9.2865 113.3096 58.9351 71.6459 171.2139 4 L 5.1218 9.0034 128.8028 53.2438 45.2449 176.0402 5 A 4.7883 9.1441 128.9896 51.0098 20.9454 176.0075 6 V 4.7850 8.3842 120.5381 61.2294 34.8699 174.1335 7 I 4.5778 9.0251 129.4375 59.6408 39.4589 174.6050 8 S 5.0526 8.8817 121.4291 56.0523 65.3371 173.8427 9 A 4.8305 8.3421 128.8412 51.6318 19.6016 176.7865 10 G 3.8370 8.3018 107.3210 47.3030 0.0000 174.1308 11 L 4.7347 8.3229 116.1189 53.8227 43.7641 176.8843 12 S 4.7725 7.9682 114.1910 56.9478 65.1265 173.4099 13 T 4.6208 8.0151 110.9430 59.3661 70.6110 172.2242 14 P 4.3424 0.0000 0.0000 62.5945 32.1815 175.9194 15 S 4.6776 8.3216 113.8591 56.9502 64.0021 175.2282 16 S 4.1860 8.6459 125.8223 61.8691 62.7089 176.7560 17 T 3.8398 7.8090 118.1322 66.5509 68.3032 176.5349 18 R 3.8893 7.8189 120.2425 59.4538 30.1056 178.1932 19 Q 3.9433 8.1915 117.8940 59.4070 28.7220 179.1512 20 I 3.7622 8.3130 119.3500 63.9583 38.0016 177.8343 21 A 4.0706 8.0915 121.9135 54.9931 18.1350 179.3743 22 D 4.5830 8.4879 119.3557 57.0988 41.0426 179.0992 23 S 4.2492 8.1059 115.7187 61.8955 62.6674 176.3421 24 I 3.7665 7.6160 123.0063 63.8075 36.7924 178.1249 25 S 4.1256 8.4352 114.7731 61.9102 62.7152 176.4225 26 E 3.8751 8.7677 121.9612 59.3540 29.2659 179.2652 27 A 3.9817 7.8604 120.0403 55.1188 18.3290 179.7367 28 V 3.5373 8.0854 117.1734 66.6055 31.5917 178.4595 29 T 3.8637 8.1496 115.2481 66.5261 68.2319 176.5907 30 A 4.0020 7.9505 122.5566 54.9301 18.1548 179.5806 31 A 3.9628 8.1531 119.1258 55.1357 18.7433 179.7217 32 V 3.6638 8.1693 117.2903 66.1225 31.5893 178.2025 33 S 4.4772 8.3538 114.0755 60.7821 62.0429 175.7814 34 A 4.1855 7.8307 121.8104 53.8127 18.0894 178.6021 35 R 4.5000 7.9308 115.3320 55.8844 30.7680 176.2012 36 G 4.0277 8.3818 109.1748 45.1015 0.0000 174.0180 37 E 4.5178 7.9717 117.6803 54.6277 31.8708 174.4036 38 A 4.7822 8.1335 122.4603 50.6556 20.9987 176.0607 39 L 4.9509 8.1947 121.2857 53.3191 45.3235 176.1711 40 S 4.7054 9.0414 121.2083 56.2928 63.7300 172.4774 41 V 4.2652 8.1960 126.6782 61.3507 32.5653 175.9582 42 S 4.5130 8.8976 120.0937 56.5773 64.2065 171.7126 43 T 4.7980 8.3476 122.8285 62.5694 69.6139 174.1060 44 I 4.3174 8.9692 128.0000 59.7538 39.7248 174.4608 45 E 4.8331 8.4803 126.4642 54.7103 30.6240 177.2422 46 L 3.9260 8.7567 126.1924 57.5494 41.8956 179.3176 47 S 4.2965 8.0361 111.1884 59.9192 63.0698 174.2839 48 E 4.4760 7.8764 119.4393 56.4985 29.7925 176.1737 49 L 4.8615 7.9373 118.5760 54.4157 42.7576 178.1037 50 I 3.7134 8.1175 120.7259 64.3056 37.2026 175.3806 51 P 4.4267 0.0000 0.0000 65.8517 31.6022 177.6273 52 D 4.4905 8.2322 117.3423 57.5461 40.8318 179.2050 53 L 3.8269 7.9500 114.4400 56.0677 41.0431 178.1179 *55 T 4.3697 7.9656 117.1613 63.7360 70.1164 176.7298 56 A 4.5911 7.8631 123.9144 51.5172 17.5211 177.5360 *58 T 4.1594 7.7293 106.1928 62.1179 69.9053 174.4236 59 T 4.4859 7.3020 121.8606 64.3722 71.9125 174.6210 60 R 3.9483 8.7247 123.8506 58.3212 29.9178 177.0016 61 V 4.0978 7.5115 117.5892 61.7980 32.7191 174.7367 62 H 4.8092 8.3569 123.1856 54.8358 30.1734 175.7774 63 T 4.2469 8.0879 112.6150 61.4979 70.8391 175.8970 64 T 3.8214 8.3027 117.7569 66.5585 68.4697 176.4787 65 K 3.8214 8.1000 121.0325 59.7952 32.1775 178.3114 66 L 4.0169 7.7847 119.7902 58.0764 41.9455 178.5052 67 E 3.9975 8.3987 119.5647 59.2056 29.5591 178.6219 68 E 4.1582 8.6385 119.0916 59.0378 29.6122 179.1824 69 I 3.7320 7.8282 120.3105 64.6182 37.2301 178.5504 70 T 4.0690 8.0822 110.2398 64.4089 68.4378 176.9639 71 S 4.1510 7.5566 116.2030 61.1771 63.3661 175.9672 72 A 4.1249 7.9671 123.5233 55.1779 18.1467 178.9892 73 L 3.9069 7.9807 118.7835 58.6113 42.0032 179.0342 74 S 4.3806 8.0530 113.2632 60.0244 62.9731 174.6739 75 A 4.6247 7.4370 122.7746 51.8594 20.4568 177.1804 76 S 4.8651 8.0443 111.5377 58.4435 63.3358 174.0035 77 D 4.7036 8.9309 121.7231 55.7012 41.5878 176.9714 78 G 4.3166 7.7160 104.1701 44.8844 0.0000 171.6852 79 L 5.4752 9.1234 122.9262 53.0112 46.2164 175.4741 80 V 4.8323 8.8970 124.2938 61.3702 34.7004 174.3334 81 V 5.2224 8.7605 121.1118 59.6482 34.5903 174.8053 82 A 5.3242 9.2989 125.6928 49.5475 23.1199 174.7346 83 T 4.5723 7.8943 113.5586 59.8555 71.0372 171.5975 84 P 4.7484 0.0000 0.0000 62.4439 33.1255 175.3496 85 V 4.3841 7.7930 119.8975 61.4280 32.3592 174.8048 86 F 5.1657 8.5074 127.1059 56.7726 41.0855 176.2829 87 K 3.5803 9.5204 124.9377 57.8433 29.2302 174.8885 88 A 3.4292 8.0944 113.7763 52.6178 16.6993 177.4498 89 S 4.3331 7.2454 113.2666 59.4511 65.6186 173.8013 90 Y 4.5966 7.6398 118.3035 56.6147 38.6982 175.9353 91 T 4.2772 8.2082 117.2853 63.3461 70.1965 176.2502 92 G 3.7140 8.7821 110.9874 47.9377 0.0000 175.4784 93 L 4.1994 8.0762 121.4390 57.8319 42.3202 178.2608 94 F 4.3765 8.3038 119.9419 61.1710 39.3772 178.9982 95 K 3.6373 8.3376 119.7166 56.2942 32.0837 178.1448 *97 F 4.5180 8.1231 121.2396 57.6933 41.1749 176.6976 98 F 3.6228 7.6211 117.6338 59.9929 38.9837 177.5199 99 D 4.4098 8.1371 120.0083 57.1593 40.7427 177.9153 100 I 3.8023 6.9485 118.9584 63.6711 37.2791 176.7528 101 L 4.0576 6.8251 119.4097 54.1382 42.2180 176.5738 102 D 4.6033 8.2180 120.0899 54.1464 41.7334 177.6774 103 T 3.8968 8.6235 118.6030 66.6409 68.4115 175.9259 104 D 4.9847 7.9564 117.6733 52.0667 39.9177 177.1833 105 A 4.1466 7.8762 124.5624 55.2321 18.7426 179.1738 106 L 4.7319 7.6487 112.7896 54.3164 43.2003 176.4203 107 T 3.7250 7.8891 116.8425 65.3562 68.4702 170.1857 108 G 3.7061 8.6470 119.9537 44.6409 0.0000 169.9908 *110 P 4.4598 0.0000 0.0000 62.4132 33.2105 175.8011 111 T 5.3049 8.9367 119.6412 61.9432 73.6185 172.7932 112 I 4.8897 8.5927 124.8994 59.4922 40.3677 174.4385 113 I 4.9849 8.4564 120.1432 59.3277 39.9896 174.4389 114 A 5.7657 9.0835 125.3775 50.1183 23.4267 174.1799 115 A 5.0567 8.1848 118.9934 52.0697 22.9922 174.7829 116 T 4.7669 7.7828 110.9511 62.0350 71.1084 171.9883 117 A 4.0820 7.6606 126.1761 51.6431 22.5161 177.1775 118 G 3.6464 8.9176 105.3766 48.6110 0.0000 175.1444 119 S 4.8414 7.8796 114.1347 56.2707 65.4984 173.4548 120 A 4.8576 8.1755 120.3376 51.8346 19.0838 178.6567 121 R 3.7652 7.5154 115.1592 59.4196 29.4511 177.3773 122 H 4.8328 7.7666 114.2513 55.4100 29.3428 176.4806 123 S 2.0000 7.4788 118.8603 60.7715 62.4218 175.5809 124 L 4.2937 7.5577 120.5595 55.7311 41.3740 178.9012 125 V 3.7102 7.8927 120.8124 64.4565 31.0994 178.3071 126 L 3.9714 7.7230 119.4941 58.0814 41.3866 178.9749 127 D 4.5021 7.9681 116.0858 55.9603 41.1243 177.1508 128 Y 4.6033 7.6874 114.6043 58.2082 38.6039 175.0049 129 A 4.5352 8.1776 120.9927 53.0969 21.9918 178.3906 130 L 4.1659 8.0176 113.0569 57.6044 42.0318 179.3398 131 R 3.8986 8.3369 119.0134 59.5290 29.9396 176.7050 132 P 4.2683 0.0000 0.0000 65.1369 31.0485 178.5425 133 L 3.9591 7.3837 118.2211 58.3115 42.3759 178.7258 134 L 4.1793 8.0728 118.9645 57.8556 40.9787 179.7919 135 S 4.1969 8.4487 115.4932 61.3882 62.5616 176.9416 136 Y 4.0297 7.7296 121.2196 57.6534 38.9608 176.3976 *138 R 4.4123 8.2038 113.9683 55.4680 32.3414 175.3087 139 A 4.7292 8.2572 120.5528 51.2181 20.4859 178.7553 140 V 4.0481 8.2117 119.7607 60.3888 32.8778 175.2650 141 V 4.4392 8.2331 126.9254 61.6059 31.8147 176.0709 142 V 3.7377 8.5558 122.3957 61.3873 31.8062 174.9976 143 P 4.2439 0.0000 0.0000 66.0980 31.2432 177.4993 144 T 4.0614 8.0707 117.9540 63.2848 67.3341 174.4818 145 G 3.9633 8.3589 113.8234 45.5483 0.0000 172.0503 146 V 4.4315 8.7942 122.4218 61.0878 33.3451 174.3250 147 F 4.8655 9.0921 131.1556 56.5189 40.6310 174.9966 148 A 4.0044 8.5883 130.4541 50.6729 19.9061 175.9170 149 A 4.5557 7.7082 125.0632 51.5367 19.7575 177.2184 150 T 3.0941 8.7633 120.3093 67.5879 68.2545 176.0136 151 E 3.9834 8.3346 118.8805 57.3438 30.3192 177.9403 152 D 4.5060 7.3338 119.9793 53.7812 41.4938 176.2202 153 F 4.8616 9.1212 119.0819 57.8393 39.2723 173.9476 154 G 3.4749 10.2297 112.0717 44.9349 0.0000 172.6300 155 G 3.9335 8.4146 115.0079 46.0870 0.0000 173.3806 156 P 4.2412 0.0000 0.0000 65.9842 30.9643 177.7565 157 E 4.2063 8.1780 116.7251 58.9008 29.5395 179.6074 158 G 3.7371 8.1107 105.8049 47.6939 0.0000 175.3741 159 A 4.0767 8.2430 124.0656 54.6263 18.3697 179.5011 160 E 3.9773 7.9724 116.5110 59.6444 29.5358 179.1211 161 F 4.2484 8.0666 120.6934 61.8174 39.5122 176.9715 162 N 4.1759 8.3159 115.5625 55.8599 38.2316 177.4574 163 K 3.8745 7.6619 121.3004 59.4582 32.3139 178.6239 164 R 3.8865 8.1729 119.4249 59.6083 29.8357 178.5037 165 I 3.4440 7.6905 119.3044 64.3640 37.0793 178.1570 166 A 4.0341 7.7108 121.2512 55.1366 18.0841 179.7200 167 R 3.7499 8.5206 117.2259 59.4656 30.3523 178.4930 168 A 3.9373 8.0550 120.4800 55.1689 18.4077 179.2663 169 A 4.0317 8.5577 119.6359 55.3274 18.3509 180.0495 170 G 3.5404 8.2836 104.2320 48.1816 0.0000 175.6969 171 E 3.9477 8.1985 121.3730 58.8109 29.3643 179.3194 172 L 4.0203 7.7926 119.7647 57.8270 42.2717 178.6680 173 A 3.9986 8.5464 121.0984 55.0912 18.1542 179.5426 174 S 4.0722 8.2643 113.8713 62.0793 62.7856 177.1166 175 L 4.0361 7.2623 119.1847 57.7314 41.5769 179.5910 176 I 4.4919 7.5755 121.1241 64.2075 36.9840 178.9859 177 V 4.1002 7.6828 112.9128 63.4000 31.3761 177.9385 178 E 4.0595 7.8043 118.7151 57.9346 30.2391 177.0802 179 E 4.1023 7.5045 118.0691 56.8339 30.2545 177.0179 180 S 4.1256 8.2899 115.3709 58.7881 62.4863 173.6373 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 R 8.10 4.71 0.00 1.97 1.92 0.00 3.10 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 3 T 9.29 4.83 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 1.21 0.00 0.00 4 L 9.00 5.12 0.00 1.77 1.53 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 5 A 9.14 4.79 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 6 V 8.38 4.79 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 0.98 0.00 0.00 0.94 0.00 0.00 7 I 9.03 4.58 1.99 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.81 0.64 0.00 0.00 8 S 8.88 5.05 0.00 3.87 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.34 4.83 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 10 G 8.30 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 11 L 8.32 4.73 0.00 1.75 1.75 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.97 4.77 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.02 4.62 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 P 0.00 4.34 0.00 2.21 2.11 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 15 S 8.32 4.68 0.00 4.15 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 16 S 8.65 4.19 0.00 3.92 3.92 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 17 T 7.81 3.84 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 1.19 0.00 0.00 18 R 7.82 3.89 0.00 1.90 2.06 0.00 3.16 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 19 Q 8.19 3.94 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 20 I 8.31 3.76 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.29 0.99 0.00 0.00 21 A 8.09 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.49 4.58 0.00 2.79 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 23 S 8.11 4.25 0.00 4.02 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 24 I 7.62 3.77 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.95 0.91 0.00 0.00 25 S 8.44 4.13 0.00 4.05 4.15 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 0.00 0.00 0.00 0.00 26 E 8.77 3.88 0.00 2.28 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 2.32 2.32 0.00 27 A 7.86 3.98 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 28 V 8.09 3.54 2.23 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 1.11 0.00 0.00 0.96 0.00 0.00 29 T 8.15 3.86 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 nan 0.00 0.00 30 A 7.95 4.00 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 31 A 8.15 3.96 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 32 V 8.17 3.66 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 1.07 0.00 0.00 0.99 0.00 0.00 33 S 8.35 4.48 0.00 4.07 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 34 A 7.83 4.19 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.93 4.50 0.00 1.89 1.92 0.00 3.12 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 36 G 8.38 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 0.00 0.00 0.00 37 E 7.97 4.52 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 38 A 8.13 4.78 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.19 4.95 0.00 1.62 1.50 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.04 4.71 0.00 3.88 3.71 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 41 V 8.20 4.27 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 0.71 0.00 0.00 0.93 0.00 0.00 42 S 8.90 4.51 0.00 3.89 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 43 T 8.35 4.80 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 1.24 0.00 0.00 44 I 8.97 4.32 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 0.71 0.00 0.00 45 E 8.48 4.83 0.00 1.91 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 2.30 2.37 0.00 46 L 8.76 3.93 0.00 1.71 1.69 0.87 -0.11 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 47 S 8.04 4.30 0.00 4.00 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 48 E 7.88 4.48 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 1.22 0.00 0.00 59 T 7.30 4.49 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 60 R 8.72 3.95 0.00 1.91 2.07 0.00 3.02 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 61 V 7.51 4.10 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 0.82 0.00 0.00 0.92 0.00 0.00 62 H 8.36 4.81 0.00 3.12 3.18 0.00 5.95 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.09 4.25 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 64 T 8.30 3.82 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 65 K 8.10 3.82 0.00 1.82 2.04 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.52 7.81 66 L 7.78 4.02 0.00 1.81 1.66 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 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0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 111 T 8.94 5.30 4.29 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 0.00 0.00 0.00 1.31 0.00 0.00 112 I 8.59 4.89 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.93 0.93 0.00 0.00 113 I 8.46 4.98 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.98 0.00 0.00 114 A 9.08 5.77 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 0.00 115 A 8.18 5.06 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 0.00 116 T 7.78 4.77 4.07 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 0.00 0.00 1.16 0.00 0.00 117 A 7.66 4.08 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 0.00 118 G 8.92 3.65 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 0.00 127 D 7.97 4.50 0.00 2.35 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.69 4.60 0.00 3.07 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 0.00 129 A 8.18 4.54 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 0.00 130 L 8.02 4.17 0.00 1.81 1.80 1.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.34 3.90 0.00 2.02 2.05 0.00 3.12 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 132 P 0.00 4.27 0.00 2.25 2.13 0.00 3.82 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 2.14 2.12 0.00 133 L 7.38 3.96 0.00 1.84 1.94 0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.07 4.18 0.00 1.86 1.74 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.45 4.20 0.00 3.91 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 0.00 136 Y 7.73 4.03 0.00 3.06 3.23 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 *138 R 8.20 4.41 0.00 1.77 1.92 0.00 3.35 0.00 0.00 3.21 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 139 A 8.26 4.73 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 0.00 140 V 8.21 4.05 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 0.73 0.00 0.00 0.94 0.00 0.00 141 V 8.23 4.44 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 0.83 0.00 0.00 0.96 0.00 0.00 142 V 8.56 3.74 2.28 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 0.72 0.00 0.00 0.98 0.00 0.00 143 P 0.00 4.24 0.00 2.04 2.12 0.00 3.88 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 2.03 2.12 0.00 144 T 8.07 4.06 4.30 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 1.23 0.00 0.00 145 G 8.36 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.79 4.43 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 0.97 0.00 0.00 0.90 0.00 0.00 147 F 9.09 4.87 0.00 3.16 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 0.00 148 A 8.59 4.00 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 0.00 149 A 7.71 4.56 1.19 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 0.00 0.00 150 T 8.76 3.09 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 1.17 0.00 0.00 151 E 8.33 3.98 0.00 1.96 1.89 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 2.26 2.20 0.00 152 D 7.33 4.51 0.00 2.45 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 9.12 4.86 0.00 3.03 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 0.00 154 G 10.23 3.47 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 0.00 155 G 8.41 3.93 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 0.00 0.00 0.00 156 P 0.00 4.24 0.00 2.19 2.11 0.00 3.62 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 2.13 2.21 0.00 157 E 8.18 4.21 0.00 2.02 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 2.42 2.39 0.00 158 G 8.11 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 0.00 159 A 8.24 4.08 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 0.00 160 E 7.97 3.98 0.00 2.25 2.11 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 2.37 2.51 0.00 161 F 8.07 4.25 0.00 3.29 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 0.00 162 N 8.32 4.18 0.00 3.00 2.83 0.00 0.00 6.70 6.89 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 0.00 163 K 7.66 3.87 0.00 1.91 1.83 0.00 1.54 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.47 7.81 164 R 8.17 3.89 0.00 1.88 1.92 0.00 3.29 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 165 I 7.69 3.44 1.79 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.22 0.78 0.00 0.00 166 A 7.71 4.03 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 0.00 167 R 8.52 3.75 0.00 1.91 2.11 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 168 A 8.06 3.94 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 0.00 169 A 8.56 4.03 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 0.00 170 G 8.28 3.54 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 0.00 0.00 0.00 171 E 8.20 3.95 0.00 2.21 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 2.33 2.40 0.00 172 L 7.79 4.02 0.00 1.89 1.80 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.55 4.00 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 0.00 174 S 8.26 4.07 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 0.00 175 L 7.26 4.04 0.00 1.89 1.74 0.96 0.88 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 0.00 176 I 7.58 4.49 2.01 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 1.70 2.37 0.91 0.00 0.00 177 V 7.68 4.10 2.19 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 1.12 0.00 0.00 1.03 0.00 0.00 178 E 7.80 4.06 0.00 1.97 2.23 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 2.32 2.34 0.00 179 E 7.50 4.10 0.00 2.19 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 180 S 8.29 4.13 0.00 3.77 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.