NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2379 8.3449 121.7109 55.8847 29.9443 174.5420 3 K 4.3715 8.3022 124.6894 53.7855 34.1559 174.8367 4 L 3.9509 9.0434 121.9048 55.6600 42.8818 177.0278 5 T 4.2608 8.2519 119.8127 63.1914 68.7660 174.3593 6 R 4.7632 8.3873 124.6259 54.3498 34.4848 174.8578 7 I 4.3831 8.4298 123.4847 60.0338 38.3684 175.3760 8 N 4.6202 8.8603 124.3261 53.8741 39.8398 175.4728 9 D 4.5610 7.8849 118.7357 53.2961 42.4160 175.8860 10 F 4.0669 8.9636 129.0719 61.8179 39.4526 176.8791 11 N 4.2302 8.3580 115.4021 56.0574 38.3453 176.8835 12 E 3.8874 8.5245 120.9545 59.0564 29.5558 179.0035 13 V 3.4464 7.8143 118.2925 65.9890 31.4239 177.7665 14 L 3.8281 7.0596 117.1500 58.1320 41.5708 179.2790 15 N 4.4430 8.3048 115.3655 55.4848 38.5255 176.6238 16 S 4.7624 7.4948 112.8088 57.4405 63.9133 174.1540 17 R 3.9932 7.3534 123.2682 56.5294 29.1609 175.3830 18 K 4.6052 8.0315 123.4093 54.3961 36.1979 177.0847 19 S 4.4861 8.5199 117.1017 58.3843 62.0109 173.9973 20 V 3.9737 8.2168 126.0246 61.6033 32.0819 176.0007 21 K 4.3853 8.2962 124.2282 55.8375 34.1038 176.0269 22 V 4.1833 7.1315 118.7702 60.8971 33.2675 174.3478 23 F 5.1263 8.5950 125.8637 55.2699 41.5928 175.1931 24 D 4.5379 9.2041 122.3977 54.1705 40.5689 177.0448 25 E 4.3765 8.7126 126.6628 58.4528 29.7499 178.0777 26 N 4.5134 8.3705 115.2113 54.5838 39.0936 174.5046 27 Y 4.2423 7.7455 119.6695 56.2721 39.3351 174.4568 28 K 4.4230 7.5633 126.2741 54.1804 34.7355 175.8669 29 I 3.8617 7.9877 124.3801 60.0978 37.8223 174.3657 30 P 4.2926 0.0000 0.0000 62.5156 31.9328 177.3141 31 R 3.8319 8.7576 124.3934 60.1626 30.5198 178.2311 32 E 4.1394 8.3281 113.5116 59.0435 29.9434 179.8508 33 E 4.4321 7.9959 119.3460 56.6317 29.6775 178.2541 *35 D 4.5527 8.2429 118.7279 53.8947 43.2386 177.5393 36 E 3.9429 8.3228 119.2487 59.4332 29.4395 179.0359 37 I 3.6568 7.8008 119.5944 64.5462 37.1459 178.5740 38 I 3.6859 7.6510 120.1018 64.4654 36.7376 178.4131 39 T 3.8728 8.0831 116.2098 66.7144 68.6518 176.4975 40 K 4.1212 8.2185 120.0652 59.2526 32.0489 179.1841 41 A 3.9398 8.3036 121.7676 55.3171 18.1246 179.1461 42 T 3.7474 7.6759 104.7196 62.6403 69.1382 176.1029 43 K 4.2241 7.7405 120.4054 56.9578 32.4252 176.9874 44 A 4.1841 7.0415 122.9584 51.5301 18.9022 175.6632 45 P 4.7859 0.0000 0.0000 62.6498 32.1969 175.8693 46 S 4.9201 8.2737 112.5759 56.4217 65.9166 173.3333 47 S 4.3003 9.2609 116.8985 60.7619 62.3455 174.4462 48 V 3.2637 9.5216 119.3932 62.0576 29.0712 172.3120 49 N 4.0446 7.9667 118.0018 53.1213 37.4921 173.8944 *51 Q 2.5200 7.8916 126.3730 54.5148 29.8527 174.3928 52 P 4.6580 0.0000 0.0000 63.1653 33.0646 177.8750 53 W 5.1001 6.5955 117.4104 56.7633 29.3742 176.1583 54 R 4.8096 9.6604 121.2268 54.7594 33.9781 173.9497 55 I 5.0660 8.6484 124.2118 59.4554 39.6001 175.0937 56 A 4.3357 9.1982 130.6536 51.4195 19.5485 176.5826 57 V 4.0283 8.4055 123.8811 62.2008 31.0691 175.0188 58 V 3.9817 8.0746 127.5470 61.9027 31.2910 175.4710 59 Q 4.3269 8.4664 125.9043 56.5140 30.7492 176.7845 60 S 4.3048 7.7848 111.7649 57.6826 64.0364 173.7042 61 D 4.4447 8.7709 122.3195 57.9342 40.9986 178.9975 62 E 4.0939 8.0563 113.6499 57.6680 28.8370 178.5190 *64 K 4.1065 8.1199 120.0044 56.5075 33.9611 177.6517 65 E 3.9533 8.3373 118.1670 59.2328 29.6975 178.2753 66 K 4.1258 7.9217 117.0108 59.3738 32.3150 178.3510 67 V 4.1215 7.6579 109.6200 61.6630 32.5573 177.6970 68 K 3.9324 7.9136 121.6071 59.7341 32.1223 178.1772 69 E 3.9920 8.2109 118.8858 59.3816 29.5634 178.7382 70 S 4.2225 8.1592 114.6877 60.8933 62.7881 175.5987 71 F 4.3525 8.3389 118.6483 55.3422 39.1117 177.9123 72 G 3.9324 8.2320 107.9656 46.8604 0.0000 175.9583 73 F 4.4948 9.0768 123.0933 58.6641 39.1502 174.6013 74 N 5.2281 8.8808 119.0261 53.0594 38.9610 177.7757 75 S 4.2231 8.3145 116.4718 61.4745 63.1422 175.3456 76 R 3.9558 8.0893 121.2321 59.3250 29.6279 178.8861 77 Q 4.1910 8.0649 117.1075 58.8285 28.6591 178.1604 78 L 3.7212 7.5748 119.9962 58.4071 42.1763 178.8736 79 T 3.9841 7.7329 114.2367 66.9765 68.8413 176.4830 80 T 4.1865 8.1583 111.3126 62.9373 69.2481 175.0956 81 S 3.8719 7.3637 116.1361 58.0812 63.4732 174.6496 82 S 4.2033 7.9620 118.6808 61.6429 63.7366 174.0215 83 A 4.3905 6.8689 124.5694 51.1769 24.3483 175.9249 *85 L 4.4289 8.5595 114.7904 55.8048 43.7770 175.9693 86 I 4.4725 8.8052 125.4358 59.6329 39.6056 174.6773 87 I 4.9355 8.7802 129.4249 60.0464 38.7440 175.1802 88 F 5.4074 9.8329 126.5079 55.8127 42.3779 174.7668 89 G 4.4844 9.2514 108.9298 44.6333 0.0000 172.2029 90 D 5.1037 9.2955 126.0267 53.3687 41.4302 176.8537 91 L 4.1357 8.8254 127.5752 55.9664 42.4900 178.0790 92 Q 3.9417 8.1668 119.7937 54.4232 29.6014 177.3805 93 N 4.2905 7.6851 118.0278 56.0581 37.4091 176.3913 94 Y 4.2627 7.0307 115.1977 59.0477 38.2038 177.7038 95 E 3.9697 7.4657 119.8305 58.5924 29.6784 178.1767 96 K 4.4135 8.0231 117.4316 56.0775 32.2396 177.9353 97 A 4.0220 8.0492 124.2934 55.3618 18.2150 180.1882 98 E 3.9028 8.0810 116.5402 59.4249 29.5580 178.9920 99 Q 3.9599 8.0792 119.0435 59.3690 29.2768 178.3209 100 I 3.6860 8.0770 120.7768 64.9087 37.3233 178.2544 101 Y 3.9988 8.5806 117.5917 60.5996 37.5872 178.4722 102 G 3.7304 8.6038 107.3844 48.1578 0.0000 175.3976 103 D 4.7353 8.6197 122.7173 56.4271 40.7070 178.7884 104 A 3.9232 7.8857 120.9430 55.0195 18.3078 179.9317 105 V 3.5276 7.7755 116.6478 66.2563 31.5398 178.1336 106 E 4.0377 8.4318 118.4226 59.0113 29.0096 178.3486 107 Q 4.4939 7.9904 115.4604 54.8708 29.0489 175.5153 108 Q 3.5783 7.7076 117.5592 57.2929 26.5771 174.1724 109 L 4.2928 8.1457 116.3015 55.5369 42.2070 177.3459 *111 T 4.1594 7.4205 109.8380 61.2065 71.0480 174.1068 112 E 3.9234 8.5424 121.6637 59.4885 29.6146 178.5088 113 D 4.3997 8.1628 118.4386 57.7760 40.8719 178.9837 114 I 3.7805 7.7904 119.9912 64.0397 37.0146 178.2168 115 K 3.9395 8.3162 120.4732 59.7509 31.9925 178.6631 116 A 3.9516 8.2306 120.8813 55.1176 17.7738 179.6991 117 Q 3.9854 8.1050 116.5783 59.0286 28.7492 178.7866 118 L 3.7577 8.1275 120.0773 58.0056 41.7856 179.8053 119 L 3.4768 7.8340 118.5695 57.4642 41.1970 179.2796 120 D 4.3642 7.8869 118.6781 56.3747 40.8436 177.8130 121 W 4.7180 7.4343 116.0640 58.0731 29.0594 178.7066 122 I 3.2898 6.8959 120.8746 63.7588 36.3296 178.2960 123 L 3.7980 7.6428 119.7318 57.4550 41.6517 177.8367 124 P 4.2595 0.0000 0.0000 65.5751 31.0117 177.8239 125 Y 4.3439 7.7159 117.7599 61.2808 38.9686 177.5901 126 Y 3.9849 8.4919 117.6564 61.0297 37.8082 178.8873 127 K 3.5989 8.1749 118.3994 58.2527 32.1348 178.0922 128 N 4.6967 7.4489 114.3000 51.9366 39.2369 175.1655 129 L 4.0132 6.8326 121.8913 54.1792 42.2359 177.2725 130 S 4.3343 8.2157 116.9140 57.7730 63.9299 174.3554 131 R 3.9596 8.5470 121.1981 59.5552 30.1177 177.4048 132 E 4.0390 8.3216 118.3139 59.2482 30.0969 179.4235 133 G 3.8414 8.2064 105.1258 46.0290 0.0000 174.9550 *135 K 4.1905 8.1778 122.8233 56.1926 34.1449 177.5187 136 D 4.3741 8.3263 118.6707 57.4295 40.6319 178.7729 137 I 3.7014 7.5364 119.8135 64.7467 37.1807 179.0154 138 V 3.7534 7.7191 112.3799 64.0989 31.5115 178.3374 139 N 4.4300 8.4081 116.6932 56.2516 38.3966 177.4947 140 I 3.7500 7.8345 121.1256 64.5528 37.0697 178.1825 141 D 4.6188 8.1335 118.2483 57.8368 40.8132 178.9514 142 S 4.7057 8.2911 114.2511 61.7396 62.8712 176.6640 143 S 4.3914 8.0323 117.2765 61.3100 62.5936 176.7643 144 L 4.0494 7.7367 116.6200 55.7897 41.6111 177.4187 *146 A 4.0277 7.7516 120.7026 52.1140 20.0833 179.0454 *148 Q 4.3001 7.9903 122.3563 57.6808 30.8219 177.3941 149 L 4.1721 7.2095 114.9170 55.7904 41.7385 178.2826 *151 L 4.2610 8.0379 118.7103 54.7156 43.7279 179.3539 152 T 3.8945 8.2448 115.1599 66.4266 68.2470 176.4026 153 A 4.1172 8.3682 123.1398 55.3331 18.3584 179.6470 154 K 4.5820 8.3484 118.5798 59.1785 32.2440 178.6784 155 A 4.0858 8.2849 121.0729 55.0561 18.0473 178.3256 156 H 4.4432 8.0087 112.3771 55.9468 29.0431 176.3044 157 G 3.6436 8.0531 109.7203 45.1858 0.0000 172.8169 158 Y 4.9198 7.6929 117.5008 56.5341 41.1495 173.9820 159 D 5.5611 9.5027 120.0099 53.0044 45.6202 174.9498 160 T 5.8548 8.2927 108.4716 59.4922 73.3269 172.3021 161 N 5.3332 8.5313 119.7377 51.5326 42.0292 171.3781 162 P 4.9804 0.0000 0.0000 62.7988 32.9535 175.8616 163 I 4.6888 9.1456 123.1466 60.0397 40.5385 176.0306 164 G 4.0349 9.2703 115.1278 45.6642 0.0000 173.8773 165 G 3.9591 8.0335 111.3354 44.3601 0.0000 172.1158 166 F 4.8734 6.9500 112.6578 54.5634 41.6198 176.1068 167 D 4.4509 8.4110 121.3066 53.9547 38.8524 176.7125 168 K 3.9295 7.7939 124.0962 58.1616 32.6481 178.6519 169 E 4.1191 8.2419 117.9053 58.4628 29.7483 177.6970 170 N 4.9069 8.0647 114.0390 53.0644 39.8074 176.6184 171 I 3.7697 7.6802 120.8865 63.8562 38.0287 177.3133 172 A 4.1092 8.3253 121.2061 55.6357 17.8819 179.1928 173 D 4.3514 8.1764 116.6671 57.6328 40.6973 179.0049 174 I 3.8041 7.5727 119.4996 64.2806 37.1889 178.0538 175 I 3.9377 7.5953 119.2502 61.9432 37.0512 177.0096 176 G 4.0267 7.4396 106.4647 45.4506 0.0000 172.6187 177 Y 4.7478 7.6058 116.6299 55.5972 39.8269 175.3113 178 D 4.4966 8.7448 122.7913 54.2779 41.2194 177.2385 179 S 4.4261 8.7234 122.2811 60.8745 63.4420 175.3896 180 D 4.4520 8.5040 121.3124 56.8094 40.9459 177.2899 181 R 3.8782 7.8981 118.2475 57.1769 30.7298 174.8208 182 Y 5.1320 7.8072 115.7815 56.3306 39.0571 175.1110 183 V 4.6261 8.6074 119.6346 59.0211 33.6973 174.1389 184 P 4.2273 0.0000 0.0000 63.2993 31.4320 175.1903 185 V 4.3370 8.6734 123.8582 63.5678 32.7572 175.2733 186 L 4.8499 7.5969 117.6895 54.9984 43.5137 172.6572 187 A 5.1437 8.9083 121.5356 50.2688 22.1888 175.7405 188 I 4.9360 8.7429 120.6452 59.3724 40.3991 175.3563 189 A 4.2751 8.9015 130.0496 51.6058 20.0332 175.9648 190 I 4.7529 8.2097 121.0728 58.8637 42.1680 175.3055 191 G 3.9926 7.6291 114.1446 45.8697 0.0000 170.7895 192 K 4.7318 7.9764 120.4024 54.6299 33.1550 176.8321 193 K 4.2286 8.6795 125.4738 56.9499 33.1624 176.5155 194 A 4.5957 8.5629 123.8218 52.3984 20.4800 177.0140 195 Q 4.5179 7.4704 113.2906 53.7181 32.8057 174.5656 196 D 4.3304 8.6057 121.4011 54.1517 41.4787 176.5403 197 A 4.0990 8.2330 125.5409 52.3498 19.0815 177.1476 198 H 4.3648 8.4714 118.0501 55.4412 29.5360 175.7106 199 D 4.6280 8.4648 123.3040 54.3568 41.4251 175.7373 200 S 4.7477 8.1155 114.8262 56.4868 66.2225 173.8811 201 V 4.2199 8.0923 120.6153 60.7085 32.8437 175.5413 202 R 4.7140 7.9930 118.9904 53.8717 33.5159 175.6913 203 L 4.1150 8.3858 120.5302 54.1322 42.4744 175.6321 204 P 4.3511 0.0000 0.0000 62.7034 32.0192 177.8106 205 I 3.7315 8.4417 115.8799 63.7603 37.6157 177.1462 206 D 4.6057 8.0545 118.0444 54.4534 39.3822 176.2169 207 D 4.7021 8.1059 119.2832 55.0731 41.3040 177.1429 208 V 4.4589 7.8291 110.3050 60.1933 33.7121 175.6221 209 R 4.6691 7.7336 115.3361 54.0650 32.2409 174.3396 210 E 4.5624 8.0688 116.1842 54.7824 32.5908 174.3919 211 F 4.6125 8.6384 119.8366 56.5244 40.2561 176.0089 212 L 4.4208 8.5073 124.1252 54.9646 42.1646 176.3027 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 Q 8.34 4.24 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 3 K 8.30 4.37 0.00 1.84 1.69 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.45 7.81 4 L 9.04 3.95 0.00 1.60 1.58 0.92 0.89 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 5 T 8.25 4.26 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 1.10 0.00 0.00 6 R 8.39 4.76 0.00 1.57 1.69 0.00 3.16 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 7 I 8.43 4.38 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 1.18 0.53 0.87 0.00 0.00 8 N 8.86 4.62 0.00 2.70 2.87 0.00 0.00 7.13 8.06 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 9 D 7.88 4.56 0.00 2.80 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 10 F 8.96 4.07 0.00 3.18 3.06 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 11 N 8.36 4.23 0.00 2.95 2.86 0.00 0.00 6.70 7.66 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 12 E 8.52 3.89 0.00 2.13 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 2.27 2.29 0.00 13 V 7.81 3.45 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 0.92 0.00 0.00 0.95 0.00 0.00 14 L 7.06 3.83 0.00 1.43 1.57 0.03 1.03 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 15 N 8.30 4.44 0.00 2.65 2.85 0.00 0.00 7.04 7.11 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 16 S 7.49 4.76 0.00 3.97 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 17 R 7.35 3.99 0.00 1.89 2.00 0.00 3.38 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 18 K 8.03 4.61 0.00 1.70 1.62 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.54 7.81 19 S 8.52 4.49 0.00 3.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.22 3.97 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 0.03 0.00 0.00 0.85 0.00 0.00 21 K 8.30 4.39 0.00 1.71 1.80 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.35 7.81 22 V 7.13 4.18 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 1.10 0.00 0.00 0.88 0.00 0.00 23 F 8.59 5.13 0.00 3.11 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 24 D 9.20 4.54 0.00 2.69 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 25 E 8.71 4.38 0.00 2.03 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 2.35 2.35 0.00 26 N 8.37 4.51 0.00 2.92 2.90 0.00 0.00 6.90 6.76 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 27 Y 7.75 4.24 0.00 3.05 2.95 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 0.00 0.00 0.00 28 K 7.56 4.42 0.00 1.52 1.50 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.20 1.25 7.81 29 I 7.99 3.86 1.66 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.23 0.75 0.00 0.00 30 P 0.00 4.29 0.00 2.19 1.97 0.00 3.71 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 2.18 2.05 0.00 31 R 8.76 3.83 0.00 1.73 1.94 0.00 3.23 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 32 E 8.33 4.14 0.00 1.93 1.96 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 2.32 1.88 0.00 33 E 8.00 4.43 0.00 2.13 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 0.00 2.50 2.42 0.00 *35 D 8.24 4.55 0.00 3.00 2.74 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 36 E 8.32 3.94 0.00 2.16 2.14 0.00 0.00 0.00 0.00 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1.72 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.62 7.81 116 A 8.23 3.95 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 0.00 117 Q 8.11 3.99 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 118 L 8.13 3.76 0.00 1.79 1.54 1.08 1.10 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 0.00 119 L 7.83 3.48 0.00 1.52 1.45 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 120 D 7.89 4.36 0.00 2.93 2.78 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 0.00 0.00 0.00 0.00 121 W 7.43 4.72 0.00 3.39 3.27 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 0.00 122 I 6.90 3.29 1.14 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 -0.36 0.32 0.00 0.00 123 L 7.64 3.80 0.00 1.68 1.58 0.79 0.76 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 0.00 124 P 0.00 4.26 0.00 2.23 2.12 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 125 Y 7.72 4.34 0.00 3.12 3.39 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 0.00 126 Y 8.49 3.98 0.00 3.02 2.94 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 0.00 127 K 8.17 3.60 0.00 1.54 1.61 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 1.02 7.81 128 N 7.45 4.70 0.00 2.80 2.82 0.00 0.00 7.02 7.13 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 0.00 129 L 6.83 4.01 0.00 1.49 1.39 0.27 0.54 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 0.00 130 S 8.22 4.33 0.00 3.94 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 0.00 131 R 8.55 3.96 0.00 1.76 1.98 0.00 3.22 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 132 E 8.32 4.04 0.00 2.02 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 2.36 2.29 0.00 133 G 8.21 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 *135 K 8.18 4.19 0.00 1.87 2.02 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 136 D 8.33 4.37 0.00 2.89 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 0.00 137 I 7.54 3.70 1.73 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.64 0.96 0.00 0.00 138 V 7.72 3.75 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.00 0.00 0.00 139 N 8.41 4.43 0.00 2.97 2.90 0.00 0.00 6.90 6.83 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 0.00 140 I 7.83 3.75 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.03 1.00 0.00 0.00 141 D 8.13 4.62 0.00 2.80 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.71 0.00 4.08 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.03 4.39 0.00 4.12 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.74 4.05 0.00 1.97 1.78 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 *146 A 7.75 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 *148 Q 7.99 4.30 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.11 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 149 L 7.21 4.17 0.00 1.68 1.72 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 *151 L 8.04 4.26 0.00 1.91 1.71 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 152 T 8.24 3.89 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 1.26 0.00 0.00 153 A 8.37 4.12 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 0.00 154 K 8.35 4.58 0.00 1.88 1.95 0.00 1.84 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.39 7.81 155 A 8.28 4.09 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 0.00 156 H 8.01 4.44 0.00 3.35 3.23 0.00 5.66 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 0.00 157 G 8.05 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 0.00 158 Y 7.69 4.92 0.00 3.09 2.94 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 0.00 159 D 9.50 5.56 0.00 2.69 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 0.00 160 T 8.29 5.85 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 1.24 0.00 0.00 161 N 8.53 5.33 0.00 3.15 2.84 0.00 0.00 6.64 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 0.00 162 P 0.00 4.98 0.00 2.16 2.06 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 163 I 9.15 4.69 2.01 0.00 0.00 0.97 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 1.07 1.20 0.00 0.00 164 G 9.27 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 0.00 165 G 8.03 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 0.00 166 F 6.95 4.87 0.00 2.21 1.88 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 D 8.41 4.45 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 K 7.79 3.93 0.00 1.54 1.64 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.51 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.51 0.69 7.81 169 E 8.24 4.12 0.00 2.06 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 0.00 2.28 2.27 0.00 170 N 8.06 4.91 0.00 2.81 2.83 0.00 0.00 6.57 8.28 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 0.00 171 I 7.68 3.77 2.20 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 1.67 1.48 1.12 0.00 0.00 172 A 8.33 4.11 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 D 8.18 4.35 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 I 7.57 3.80 2.05 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 1.54 0.63 0.97 0.00 0.00 175 I 7.60 3.94 1.70 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 1.36 0.62 -0.30 0.00 0.00 176 G 7.44 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 0.00 177 Y 7.61 4.75 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 D 8.74 4.50 0.00 2.78 2.68 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 0.00 179 S 8.72 4.43 0.00 4.09 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 0.00 180 D 8.50 4.45 0.00 2.80 2.74 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 0.00 181 R 7.90 3.88 0.00 1.53 1.30 0.00 2.83 0.00 0.00 2.87 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 182 Y 7.81 5.13 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 V 8.61 4.63 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.04 0.00 0.00 184 P 0.00 4.23 0.00 1.95 1.80 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.11 0.00 185 V 8.67 4.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.17 0.00 0.00 186 L 7.60 4.85 0.00 1.83 1.78 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 187 A 8.91 5.14 0.93 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 0.00 188 I 8.74 4.94 1.83 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 1.17 0.71 0.90 0.00 0.00 189 A 8.90 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 190 I 8.21 4.75 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.54 0.77 0.00 0.00 191 G 7.63 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 7.98 4.73 0.00 1.57 1.58 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.46 0.98 7.81 193 K 8.68 4.23 0.00 1.76 1.90 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.38 7.81 194 A 8.56 4.60 1.30 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 0.00 195 Q 7.47 4.52 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 196 D 8.61 4.33 0.00 2.59 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 0.00 197 A 8.23 4.10 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 0.00 198 H 8.47 4.36 0.00 3.14 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 D 8.46 4.63 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 S 8.12 4.75 0.00 3.91 3.78 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 0.00 0.00 0.00 0.00 201 V 8.09 4.22 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 0.76 0.00 0.00 0.93 0.00 0.00 202 R 7.99 4.71 0.00 1.77 1.83 0.00 3.39 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 203 L 8.39 4.11 0.00 1.63 1.61 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 204 P 0.00 4.35 0.00 2.32 1.99 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 205 I 8.44 3.73 1.87 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 1.49 0.84 0.92 0.00 0.00 206 D 8.05 4.61 0.00 2.82 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 D 8.11 4.70 0.00 2.84 2.74 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 0.00 208 V 7.83 4.46 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 0.72 0.00 0.00 0.97 0.00 0.00 209 R 7.73 4.67 0.00 1.61 1.74 0.00 2.57 0.00 0.00 2.81 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.73 0.00 210 E 8.07 4.56 0.00 2.03 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 2.13 2.32 0.00 211 F 8.64 4.61 0.00 3.09 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 0.00 212 L 8.51 4.42 0.00 1.61 1.54 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.