NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 Q 4.2953 8.4445 119.1180 54.1944 28.9836 175.3343 3 K 3.8121 8.5802 125.6228 52.6259 32.1313 171.9856 4 L 3.8465 9.1849 124.9753 55.4736 42.9630 176.0671 5 T 4.4973 8.0859 121.7944 61.4860 71.2278 173.7560 6 R 4.1397 8.5950 125.5994 56.3165 31.4889 176.5624 7 I 4.4618 8.6397 122.2855 60.0235 39.7929 176.0708 8 N 4.5982 8.9590 124.4672 54.3712 39.7335 175.5849 9 D 4.6170 7.8544 118.3122 53.0956 42.7068 175.7941 10 F 4.0380 8.9938 129.1703 61.9028 39.3495 176.8800 11 N 4.2092 8.3833 115.2292 56.3616 38.2929 176.9000 12 E 3.8945 8.4145 120.7005 58.8231 29.4348 179.1001 13 V 3.4217 7.5461 117.8337 65.7513 31.8301 177.2427 14 L 3.9040 7.3703 119.9513 58.4737 41.6460 178.8605 15 N 4.3352 8.1981 115.1771 55.5715 38.5203 176.5719 16 S 4.7294 7.4921 112.8775 57.5105 63.8345 174.2032 17 R 4.0400 7.3470 123.5856 56.2835 29.1804 175.2953 18 K 4.5944 8.0296 123.3883 54.6289 36.2907 176.8632 19 S 4.5492 8.4829 116.8455 58.0367 62.0827 174.0744 20 V 3.9811 8.1799 126.1244 61.6285 32.0634 175.9893 21 K 4.4064 8.2989 124.1249 55.8788 33.6235 175.8269 22 V 4.2759 6.9435 119.3702 61.0326 34.3754 174.2945 23 F 5.2434 8.6833 125.8747 55.3563 42.6292 174.5528 24 D 4.6556 9.2712 120.8157 53.9184 41.2029 177.1791 25 E 4.1354 9.1393 126.1777 58.8149 29.7846 177.3932 26 N 4.6943 8.8545 115.0062 52.9904 38.9326 173.8360 27 Y 4.4168 7.7993 120.1344 55.4665 40.3173 174.7860 28 K 4.5115 7.7176 126.1977 54.2656 34.7818 175.8507 29 I 3.9985 8.0644 124.2998 60.0302 37.9587 174.3370 30 P 4.3277 0.0000 0.0000 62.5659 31.8778 177.5570 31 R 3.9454 8.6332 121.0187 59.5143 30.6295 178.1639 32 E 4.1136 8.1933 116.9869 59.3777 29.8532 178.0490 33 E 4.5060 8.0029 119.2854 56.5866 29.5407 178.1445 *35 D 4.5705 8.2050 118.8988 53.9503 43.2929 177.8344 36 E 3.9281 8.0733 119.0012 59.2418 29.5580 178.8719 37 I 3.6419 7.7961 119.8456 64.5547 37.1796 178.5689 38 I 3.6912 7.6368 120.0766 64.4171 36.7646 178.3265 39 T 3.8878 7.9323 116.0484 66.6811 68.7505 176.3797 40 K 4.1017 8.1962 119.9391 59.4335 32.0905 179.1493 41 A 3.9491 8.0777 121.2908 55.2926 18.0929 179.0672 42 T 3.7783 7.6320 104.8094 62.6094 69.2098 176.1475 43 K 4.2423 7.7758 120.3374 56.8438 32.4390 176.9399 44 A 4.1547 7.0427 122.9649 51.6229 18.8439 175.5879 45 P 4.8150 0.0000 0.0000 62.6554 32.8359 175.5733 46 S 4.8825 8.1614 111.5345 56.7683 65.4990 173.6642 47 S 4.1363 9.1807 117.1262 60.4918 62.3987 174.4184 48 V 3.2617 9.5020 119.5382 62.1751 29.0625 172.4770 49 N 4.0613 7.7756 117.7114 53.1318 37.3835 173.4874 *51 Q 2.5200 7.8520 124.9302 54.4949 29.7142 174.0457 52 P 4.5419 0.0000 0.0000 62.6808 33.2111 177.4393 53 W 5.1066 6.6238 118.1572 56.7382 29.3818 176.1598 54 R 4.8112 9.4249 120.9798 54.7649 33.9371 173.9001 55 I 5.0230 8.6801 124.2136 59.5163 39.5779 174.8740 56 A 4.4717 9.2386 130.2068 51.0192 20.0606 176.4155 57 V 4.0663 8.3828 123.8415 62.0514 31.0743 175.3157 58 V 3.8816 8.0878 127.0671 61.9478 30.4997 175.7744 59 Q 4.2877 8.2560 126.0436 56.6216 30.6490 177.2780 60 S 4.3260 7.7134 110.8582 57.8492 63.9394 173.9735 61 D 4.3740 8.6327 122.0399 57.5164 40.8833 178.0771 62 E 3.9119 8.2237 117.8080 58.1304 29.8139 178.0653 *64 K 4.1378 8.0274 117.0831 57.1172 34.0549 177.6155 65 E 3.9536 8.3214 118.4545 59.0500 29.7384 178.1007 66 K 4.1042 7.8410 117.2506 59.0918 32.2502 178.1371 67 V 4.2306 7.6014 109.5824 61.3464 32.5873 177.5822 68 K 4.0426 7.9407 122.1370 59.6064 31.9394 178.1308 69 E 3.9271 8.1884 118.9614 59.5002 29.6066 178.6946 70 S 4.1469 7.8914 113.4215 60.9635 62.8190 175.6594 71 F 4.3520 8.4499 119.2400 55.3113 39.5054 177.6120 72 G 4.0775 8.7014 109.6401 46.8530 0.0000 175.8818 73 F 4.6521 8.9062 122.5310 58.5217 39.1071 174.7993 74 N 5.5339 9.0331 119.0288 52.7255 38.6918 177.3691 75 S 4.2295 7.8197 116.9796 61.4777 62.8659 176.1193 76 R 4.0041 8.0114 122.0102 59.0300 29.9887 178.1320 77 Q 4.1952 8.1301 117.6023 58.8554 28.5703 178.3452 78 L 3.6684 7.4936 119.4471 58.4131 42.2135 178.5876 79 T 3.9998 8.1871 114.6989 67.1766 68.6047 176.3264 80 T 4.1965 7.9654 109.6882 62.9987 69.4611 175.3782 81 S 3.8694 7.2262 115.8969 58.0822 63.8241 174.6928 82 S 4.2138 8.3366 118.4174 61.5927 63.7131 172.7477 83 A 4.5116 6.8656 124.4118 51.2205 24.3036 175.7694 *85 L 4.4122 8.5558 114.5989 55.7268 43.7183 176.0417 86 I 4.5438 8.7478 125.4031 59.6366 39.6987 174.7213 87 I 4.8253 8.6686 129.5326 60.0477 38.6673 175.1872 88 F 5.3487 9.7392 126.5627 55.7905 42.3455 174.7919 89 G 4.4195 9.3175 109.1835 44.6500 0.0000 172.3347 90 D 4.7958 9.4215 126.0396 53.7371 41.4326 176.8144 91 L 4.1197 8.8803 127.5862 55.9245 42.4246 178.0077 92 Q 3.9743 8.1478 119.9131 54.4312 29.5944 177.4345 93 N 4.1402 7.6617 118.2477 56.0105 37.5608 176.3559 94 Y 4.2767 7.2582 115.6733 58.7852 38.1531 177.8530 95 E 3.9785 7.5597 120.3082 59.0747 29.7028 178.3463 96 K 4.3715 8.0906 116.5899 56.0518 32.1662 178.0257 97 A 4.0044 7.7831 123.8023 55.4298 18.1826 180.0037 98 E 3.8861 8.0990 116.3315 59.5322 29.6035 179.1717 99 Q 3.9485 8.0234 118.8712 59.2938 29.3007 178.1926 100 I 3.6954 8.0786 120.9370 64.8899 37.3734 178.2320 101 Y 4.0505 8.8198 117.9919 60.7053 37.5891 178.4632 102 G 3.6900 8.5240 107.1510 47.8145 0.0000 175.5217 103 D 4.7036 8.5054 122.3002 56.6582 40.7492 178.6222 104 A 3.9387 7.7513 120.8599 55.0641 18.4289 179.9188 105 V 3.5265 7.7268 116.3988 66.2844 31.5444 178.1703 106 E 4.0481 8.4874 118.5224 59.0350 29.0033 178.3227 107 Q 4.4635 7.9506 115.5206 54.8996 28.9992 175.5546 108 Q 3.5648 7.6331 117.3043 57.2547 26.6356 174.2144 109 L 4.2784 8.1617 116.3686 55.5932 42.2592 177.3873 *111 T 4.1585 7.4215 109.8049 61.2182 71.0429 174.1090 112 E 3.9371 8.5439 121.6996 59.4949 29.7339 178.5993 113 D 4.3831 8.1229 118.4559 57.6968 40.8843 178.9053 114 I 3.8127 7.8265 120.0831 63.9614 37.0603 178.1678 115 K 3.9300 8.2563 120.4456 59.7687 31.9846 178.6275 116 A 3.9375 8.1997 120.8907 55.1266 18.0078 179.4275 117 Q 3.9542 8.0422 117.7083 59.1503 29.0603 178.3831 118 L 3.7902 8.2696 120.3734 57.9529 41.7690 179.6689 119 L 3.5213 7.8180 118.5876 57.3927 41.1897 179.2211 120 D 4.3530 7.9849 118.7949 56.4931 40.8222 177.9099 121 W 4.6952 7.4735 116.6600 58.4070 28.9400 178.7379 122 I 3.3093 6.8852 120.8496 63.8875 36.3346 178.3558 123 L 3.7909 7.6583 119.6565 57.4233 41.4846 177.9031 124 P 4.1999 0.0000 0.0000 65.4464 31.0193 177.9989 125 Y 4.2983 7.6647 117.7160 61.1838 39.1685 177.5231 126 Y 3.8500 8.3078 117.6735 60.9900 37.7617 178.8339 127 K 3.5836 7.9669 118.3970 58.5447 32.1425 178.1632 128 N 4.6258 7.6325 114.3499 52.2636 39.2686 175.4345 129 L 4.0094 6.8999 121.3089 54.2102 42.2344 177.2492 130 S 4.3393 8.2324 116.9083 57.7481 63.9120 174.2569 131 R 3.9582 8.5657 121.1984 59.5730 30.1907 177.3759 132 E 4.0324 8.3740 118.2324 59.3184 29.9712 179.4988 133 G 3.6928 8.0594 104.3388 46.2679 0.0000 174.8486 *135 K 4.1704 8.1627 122.7228 56.2252 34.1559 177.4931 136 D 4.3718 8.2488 118.5277 57.4921 40.6772 178.7329 137 I 3.7087 7.5613 119.9980 64.8242 37.1209 179.0164 138 V 3.7533 7.7255 112.3695 64.1121 31.5643 178.3044 139 N 4.3865 8.4946 116.7454 56.3560 38.4250 177.3424 140 I 3.7555 7.8127 120.9888 64.5433 37.0506 178.0954 141 D 4.6085 8.1071 118.1480 57.9283 40.8707 179.0329 142 S 4.6767 8.3501 114.0281 61.8078 62.8494 176.7270 143 S 4.4028 7.9508 116.9218 61.2263 62.6178 176.7751 144 L 4.0638 7.6745 116.7125 55.7367 40.9566 177.4556 *146 A 4.0358 7.7227 120.5069 52.1193 20.1210 178.9281 *148 Q 4.2555 7.9569 122.0228 57.5506 30.7983 177.4990 149 L 4.1962 7.2498 115.1250 55.7436 41.7109 178.2899 *151 L 4.2701 8.0449 118.6894 54.7039 43.7254 179.3601 152 T 3.9052 8.2354 115.1584 66.5252 68.2779 176.4474 153 A 4.1298 8.4273 123.1622 55.1981 18.3209 179.6633 154 K 4.4725 8.2118 118.6596 59.1526 32.3469 178.6941 155 A 4.1674 8.0997 122.4315 54.7953 18.0732 178.5912 156 H 4.2806 8.1459 112.2002 56.4979 29.0285 176.4752 157 G 3.6818 8.0356 109.7523 44.7791 0.0000 172.9705 158 Y 4.7788 7.5447 118.0904 56.9833 40.7683 173.7796 159 D 5.4653 9.3442 119.1350 53.2789 45.9818 174.8506 160 T 5.9160 8.3147 108.7737 59.6456 73.4169 172.2707 161 N 5.1479 8.5301 119.6175 51.5469 41.7068 171.4896 162 P 4.9470 0.0000 0.0000 62.9827 32.7450 175.9521 163 I 4.7329 9.2951 122.8392 60.0336 40.9165 175.9591 164 G 4.1008 9.2485 114.3735 45.4263 0.0000 173.6328 165 G 3.9794 8.0285 111.1810 44.3961 0.0000 172.5690 166 F 4.8014 6.9938 112.1394 54.5545 41.5845 175.7052 167 D 4.3874 8.4895 121.6401 53.9038 39.2230 176.8455 168 K 3.9001 8.0042 127.3706 58.5839 32.6293 179.3344 169 E 4.1640 7.9365 115.0633 57.8807 29.9480 183.2043 170 N 5.0438 7.9960 113.1008 52.9149 40.3169 176.3088 171 I 3.7818 7.7001 120.6481 63.9280 38.0123 177.4787 172 A 4.0705 8.2537 121.1617 55.3732 17.8067 179.1112 173 D 4.3226 8.1540 116.8241 57.6205 40.7404 178.9456 174 I 3.7459 7.6690 119.2305 64.3018 37.2793 178.1017 175 I 3.9270 7.7038 111.5666 61.7145 37.7317 176.7532 176 G 3.9901 7.4228 108.1162 45.5232 0.0000 172.9802 177 Y 4.6318 7.4962 116.8291 56.2756 39.2382 175.1039 178 D 4.5367 8.7281 122.4736 54.1754 41.2314 177.2503 179 S 4.3945 8.6906 122.0288 60.6109 63.5408 175.2504 180 D 4.4598 8.5788 121.3281 56.4902 41.0095 176.8881 181 R 4.1514 8.0120 118.3280 56.6989 32.4391 175.2535 182 Y 5.2991 8.0804 116.7613 56.3495 39.8656 175.8579 183 V 4.7190 8.6283 118.8381 58.7929 34.0721 173.8953 184 P 4.1548 0.0000 0.0000 63.2485 31.4907 175.2500 185 V 4.2207 8.9238 123.6313 63.9250 32.4948 175.1274 186 L 4.9714 7.7035 120.2504 53.7470 45.9386 173.3366 187 A 5.1497 9.0468 124.9198 50.2234 22.3630 175.8393 188 I 4.9823 8.7415 120.1381 59.3710 40.5903 175.3376 189 A 4.2225 8.9769 130.4481 51.7124 19.7097 175.9789 190 I 4.6986 8.2289 121.4674 58.9711 42.0817 175.2859 191 G 3.7902 7.5540 113.8101 45.4785 0.0000 170.7417 192 K 4.7712 8.0289 120.9149 54.9652 33.4183 177.1500 193 K 4.3632 8.9347 126.9609 57.4292 32.7110 176.4497 194 A 4.6924 8.8321 123.7385 52.0232 20.7264 176.4608 195 Q 4.4094 7.5948 115.0491 54.0873 32.2534 173.9961 196 D 4.4114 8.4517 124.1615 53.9326 41.5972 176.2380 197 A 4.1462 8.1328 124.9446 52.0698 19.1566 177.3183 198 H 4.3622 8.4490 118.1221 55.4638 29.4755 175.7638 199 D 4.6003 8.5138 123.6340 54.4384 41.3639 175.5479 200 S 4.7272 8.1085 114.5939 56.7994 66.2706 173.7080 201 V 4.3099 8.0524 114.0026 60.1647 33.1691 175.7603 202 R 4.7340 7.9492 119.0747 53.9390 33.6504 175.7945 203 L 4.1584 8.3515 120.2331 54.0998 42.4323 175.6788 204 P 4.3872 0.0000 0.0000 62.5446 32.1584 177.5388 205 I 3.6431 8.4575 121.0550 64.4863 37.5945 178.0379 206 D 4.4453 8.0603 118.2741 56.9375 40.7644 177.4940 207 D 4.6205 8.0929 117.8671 55.4695 41.1339 177.0360 208 V 4.4537 7.7101 110.4816 60.5205 33.6454 175.4714 209 R 4.6147 7.5192 114.5784 54.6702 32.1482 173.9175 210 E 4.5358 8.0053 118.9456 54.6509 32.7373 174.4957 211 F 4.5447 8.7036 124.5646 56.6501 40.2365 175.7720 212 L 4.4226 8.4489 123.6594 55.0044 42.2370 176.3582 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 8.44 4.30 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 3 K 8.58 3.81 0.00 1.85 1.65 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.06 7.81 4 L 9.18 3.85 0.00 1.44 1.54 0.40 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.09 4.50 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 6 R 8.60 4.14 0.00 1.63 1.78 0.00 3.05 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 7 I 8.64 4.46 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 1.22 0.87 0.00 0.00 8 N 8.96 4.60 0.00 2.70 2.87 0.00 0.00 7.11 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 7.85 4.62 0.00 2.80 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 10 F 8.99 4.04 0.00 3.20 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.38 4.21 0.00 2.98 2.86 0.00 0.00 6.66 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 8.41 3.89 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 2.26 2.28 0.00 13 V 7.55 3.42 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 0.79 0.00 0.00 0.95 0.00 0.00 14 L 7.37 3.90 0.00 1.29 1.53 0.83 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.20 4.34 0.00 2.70 2.83 0.00 0.00 7.07 7.43 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 16 S 7.49 4.73 0.00 3.96 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 4.04 0.00 1.85 1.89 0.00 3.39 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 18 K 8.03 4.59 0.00 1.70 1.63 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.55 7.81 19 S 8.48 4.55 0.00 3.88 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 20 V 8.18 3.98 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 0.13 0.00 0.00 0.87 0.00 0.00 21 K 8.30 4.41 0.00 1.69 1.77 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.35 7.81 22 V 6.94 4.28 1.93 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 1.06 0.00 0.00 0.91 0.00 0.00 23 F 8.68 5.24 0.00 3.06 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 9.27 4.66 0.00 2.76 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 25 E 9.14 4.14 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 2.38 0.00 26 N 8.85 4.69 0.00 2.84 2.87 0.00 0.00 6.73 7.24 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 27 Y 7.80 4.42 0.00 3.02 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 28 K 7.72 4.51 0.00 1.56 1.54 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 1.27 7.81 29 I 8.06 4.00 1.67 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.26 0.78 0.00 0.00 30 P 0.00 4.33 0.00 2.20 1.97 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 31 R 8.63 3.95 0.00 1.78 1.99 0.00 3.35 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 32 E 8.19 4.11 0.00 2.09 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 2.41 2.36 0.00 33 E 8.00 4.51 0.00 2.14 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 0.00 2.45 2.42 0.00 *35 D 8.20 4.57 0.00 2.99 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 8.07 3.93 0.00 2.11 2.10 0.00 0.00 0.00 0.00 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1.81 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.57 7.81 116 A 8.20 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 0.00 117 Q 8.04 3.95 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 118 L 8.27 3.79 0.00 1.82 1.50 1.07 0.71 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 7.82 3.52 0.00 1.48 1.45 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 120 D 7.98 4.35 0.00 2.88 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 7.47 4.70 0.00 3.56 3.29 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 0.00 122 I 6.89 3.31 1.15 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.36 0.35 0.00 0.00 123 L 7.66 3.79 0.00 1.66 1.57 0.80 0.80 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 0.00 124 P 0.00 4.20 0.00 2.24 2.12 0.00 3.72 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 2.29 2.14 0.00 125 Y 7.66 4.30 0.00 3.10 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.31 3.85 0.00 2.99 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 0.00 127 K 7.97 3.58 0.00 1.54 1.63 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.46 0.82 7.81 128 N 7.63 4.63 0.00 2.81 2.84 0.00 0.00 7.03 7.88 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 0.00 129 L 6.90 4.01 0.00 1.52 1.39 0.18 0.82 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 8.23 4.34 0.00 3.95 3.85 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 0.00 0.00 0.00 131 R 8.57 3.96 0.00 1.77 1.99 0.00 3.23 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 8.37 4.03 0.00 2.02 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 2.36 2.30 0.00 133 G 8.06 3.69 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 0.00 0.00 0.00 *135 K 8.16 4.17 0.00 1.88 2.02 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 136 D 8.25 4.37 0.00 2.90 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 0.00 137 I 7.56 3.71 1.74 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.96 0.00 0.00 138 V 7.73 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 0.84 0.00 0.00 1.03 0.00 0.00 139 N 8.49 4.39 0.00 2.98 2.90 0.00 0.00 6.93 7.91 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 0.00 140 I 7.81 3.76 2.08 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 0.81 0.99 0.00 0.00 141 D 8.11 4.61 0.00 2.81 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.68 0.00 4.06 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 7.95 4.40 0.00 4.11 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 0.00 144 L 7.67 4.06 0.00 1.97 1.77 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 *146 A 7.72 4.04 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 *148 Q 7.96 4.26 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 2.30 2.37 0.00 149 L 7.25 4.20 0.00 1.66 1.70 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 *151 L 8.04 4.27 0.00 1.78 1.72 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 152 T 8.24 3.91 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 1.25 0.00 0.00 153 A 8.43 4.13 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 0.00 154 K 8.21 4.47 0.00 1.89 1.99 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.39 7.81 155 A 8.10 4.17 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 0.00 156 H 8.15 4.28 0.00 3.37 3.27 0.00 5.64 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 8.04 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 0.00 158 Y 7.54 4.78 0.00 3.11 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 0.00 159 D 9.34 5.47 0.00 2.71 2.61 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 0.00 160 T 8.31 5.92 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 1.23 0.00 0.00 161 N 8.53 5.15 0.00 3.19 2.85 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 4.95 0.00 2.16 2.07 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 9.30 4.73 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 1.16 0.00 0.00 164 G 9.25 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.03 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 0.00 0.00 0.00 166 F 6.99 4.80 0.00 2.21 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.49 4.39 0.00 2.63 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 8.00 3.90 0.00 1.52 1.64 0.00 1.50 0.00 0.00 1.45 0.00 0.00 2.56 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.55 0.63 7.81 169 E 7.94 4.16 0.00 1.93 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 2.26 2.15 0.00 170 N 8.00 5.04 0.00 2.85 2.84 0.00 0.00 6.79 7.47 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 0.00 171 I 7.70 3.78 2.23 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 1.72 1.52 1.16 0.00 0.00 172 A 8.25 4.07 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 D 8.15 4.32 0.00 2.92 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 0.00 174 I 7.67 3.75 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 1.60 0.62 0.98 0.00 0.00 175 I 7.70 3.93 1.54 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 -0.36 0.93 0.00 0.00 176 G 7.42 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 0.00 177 Y 7.50 4.63 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 D 8.73 4.54 0.00 2.78 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 0.00 179 S 8.69 4.39 0.00 4.09 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 0.00 180 D 8.58 4.46 0.00 2.82 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 8.01 4.15 0.00 1.60 1.40 0.00 2.83 0.00 0.00 2.89 7.18 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 8.08 5.30 0.00 2.85 2.82 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 0.00 183 V 8.63 4.72 2.16 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 0.76 0.00 0.00 1.02 0.00 0.00 184 P 0.00 4.15 0.00 1.96 1.82 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 185 V 8.92 4.22 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 0.81 0.00 0.00 1.15 0.00 0.00 186 L 7.70 4.97 0.00 1.83 1.48 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 187 A 9.05 5.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 I 8.74 4.98 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 0.70 0.89 0.00 0.00 189 A 8.98 4.22 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 0.00 190 I 8.23 4.70 1.72 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 0.88 1.51 0.77 0.00 0.00 191 G 7.55 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 8.03 4.77 0.00 1.47 1.64 0.00 1.00 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.28 7.81 193 K 8.93 4.36 0.00 1.69 1.93 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.41 7.81 194 A 8.83 4.69 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 0.00 195 Q 7.59 4.41 0.00 1.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 196 D 8.45 4.41 0.00 2.63 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 0.00 197 A 8.13 4.15 1.23 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 0.00 0.00 198 H 8.45 4.36 0.00 3.15 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 D 8.51 4.60 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 8.11 4.73 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 8.05 4.31 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 0.74 0.00 0.00 0.93 0.00 0.00 202 R 7.95 4.73 0.00 1.74 1.78 0.00 3.38 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 1.52 1.56 0.00 203 L 8.35 4.16 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 1.39 0.00 0.00 0.00 0.00 0.00 0.00 204 P 0.00 4.39 0.00 2.18 1.98 0.00 3.75 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 2.23 2.08 0.00 205 I 8.46 3.64 1.89 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 1.65 1.36 0.95 0.00 0.00 206 D 8.06 4.45 0.00 2.70 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 0.00 207 D 8.09 4.62 0.00 2.83 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 0.00 208 V 7.71 4.45 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 7.52 4.61 0.00 1.60 1.73 0.00 2.67 0.00 0.00 2.55 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.81 0.00 210 E 8.01 4.54 0.00 1.84 1.73 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 2.19 2.34 0.00 211 F 8.70 4.54 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.42 0.00 1.61 1.53 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.