NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7643 8.3201 119.4378 57.0160 41.3258 174.5557 2 A 3.8034 8.0430 123.3151 51.9394 18.8276 175.9850 3 K 4.3642 9.2174 122.2066 56.0822 33.9747 174.9817 4 L 4.8134 7.9695 118.9723 51.8435 44.6161 178.1765 5 V 3.8017 8.2754 123.8177 62.5571 29.5229 173.7847 6 R 4.2541 8.0064 121.8386 54.2196 29.6015 174.3540 7 P 4.5680 0.0000 0.0000 60.8014 32.6590 174.8261 8 P 4.5246 0.0000 0.0000 62.9767 31.4360 176.4913 9 V 4.0622 9.3363 116.4624 62.4795 34.3500 176.2190 10 Q 3.7947 8.9768 121.7539 57.1535 28.7261 175.8983 11 I 3.2878 8.2715 116.9261 62.7223 35.7815 175.4886 12 Y 4.7078 8.9885 130.3559 57.1524 37.4163 179.0666 13 G 5.2008 8.3470 127.0700 47.8531 0.0000 172.5558 14 I 4.5081 7.8944 117.3504 62.0724 40.5131 175.1515 15 E 4.2996 8.1610 115.4875 57.8993 31.7545 177.6398 16 G 3.4841 4.0000 107.3266 44.8638 0.0000 174.7407 17 R 3.7412 7.4134 116.5073 58.3051 31.0587 178.2347 18 Y 3.9745 8.3159 116.6176 60.7875 37.9800 177.2660 19 A 3.8297 8.2144 121.2133 55.8312 18.2562 179.4548 20 T 4.2602 7.3216 110.9326 65.4312 68.7444 175.9976 21 A 4.1749 7.8719 124.0849 54.6556 19.1289 178.9370 22 L 4.2069 7.2340 115.1269 55.7893 41.3037 178.0129 23 Y 4.3858 6.9139 116.6377 59.0137 37.9632 176.3139 24 S 4.6936 7.6985 113.4052 58.8092 64.5326 175.6690 25 A 4.0946 8.1881 122.9067 54.7807 18.8153 178.7448 26 A 4.1326 8.1353 118.9964 55.6430 18.5568 180.2727 27 S 4.2859 7.4418 105.4783 58.9676 61.7467 174.4731 28 K 4.3755 8.4935 118.9698 56.8240 32.7511 175.4906 29 Q 4.2698 9.7037 120.0569 55.3588 26.9215 173.8179 30 N 4.0344 7.9182 114.0483 54.0800 36.4117 174.5959 31 K 4.5911 7.4363 113.2280 56.3653 33.6420 178.3057 32 L 4.1558 8.1021 121.3990 58.4968 41.1273 178.8854 33 E 4.1370 8.1733 117.5124 59.2071 29.7567 178.8245 34 Q 4.0654 7.7418 117.6078 58.5485 28.6151 178.7571 35 V 4.0809 7.6524 117.6203 64.1118 32.4343 176.8555 36 E 3.8340 7.9565 118.4721 58.8609 29.0365 178.1768 37 K 4.3635 7.6476 116.2428 57.6599 33.1274 178.2718 38 E 4.0388 7.5972 117.7295 59.5901 29.4522 179.4793 39 L 3.9431 8.1417 118.9772 57.7877 41.4432 179.2158 40 L 3.9470 8.0058 117.2746 58.1664 41.7810 179.3669 41 R 4.0772 7.8180 117.4897 59.5025 30.2683 178.7786 42 V 3.8254 7.9879 118.1864 65.6365 31.2427 177.8445 43 G 3.8877 8.1102 104.6756 46.7900 0.0000 173.6639 44 Q 4.6219 8.0535 117.3889 55.3894 30.7234 177.2486 45 I 3.7782 7.6505 118.0916 63.1486 37.2372 176.6753 46 L 4.5373 7.7919 118.8742 55.0945 43.0694 177.1880 47 K 4.3555 7.2934 116.9612 56.5343 32.1255 176.8932 48 E 4.3409 7.6290 118.9165 55.3524 30.1802 175.7603 49 P 4.7451 0.0000 0.0000 63.2481 30.8069 176.9502 50 K 4.5024 7.5445 117.2512 56.3000 33.5547 177.3478 *52 A 4.2523 8.1154 121.8399 51.8553 20.3210 177.7532 53 A 4.6020 7.7905 118.1211 51.9805 19.0246 177.2067 54 S 4.6787 8.1201 116.4839 60.7912 69.9878 176.1910 55 L 4.0045 8.1315 122.3394 57.5969 42.1748 177.2642 56 L 4.7950 7.6086 113.9164 53.2720 41.6262 177.5254 57 N 5.1928 7.6468 114.8913 51.3973 40.3024 172.6944 58 P 4.6732 0.0000 0.0000 62.8219 31.1866 177.4655 59 Y 4.3670 8.3573 117.1153 59.1403 39.7835 177.5532 60 V 3.8140 8.0392 117.7009 64.0334 32.6167 176.4117 61 K 3.9220 7.8965 119.5001 55.6121 31.1052 176.7432 62 R 4.1654 8.4818 117.2723 57.1211 30.5328 176.9050 63 S 3.9907 8.3678 115.6439 60.1226 62.2704 175.9043 64 V 4.2676 8.4394 118.6290 60.8693 30.6662 174.4821 65 K 4.5956 7.4550 117.0486 56.6337 37.3984 178.2913 66 V 3.8879 7.6920 117.0827 64.9718 31.8015 177.3595 67 K 4.3079 7.9763 115.5645 56.9410 32.1465 177.1224 68 S 4.6935 7.9154 112.4945 58.0646 63.3507 174.1961 69 L 4.7196 7.7660 120.2203 54.9063 41.6353 177.2668 70 S 4.5863 7.8709 112.5474 58.2654 63.9073 174.2869 71 D 4.5868 7.7974 121.6162 55.0285 39.7867 178.0728 *73 T 4.3148 7.2398 109.1884 60.8673 70.9279 175.3852 74 A 3.8267 7.9593 126.7399 54.3508 18.6079 178.8295 75 K 3.3976 7.2912 110.8035 61.0272 33.0777 181.3525 76 E 4.2831 8.2285 120.0613 56.4375 30.2239 178.3435 77 K 4.1479 8.2622 120.8385 58.3760 33.0548 176.8633 78 F 5.5703 7.6007 118.1702 55.2276 37.3424 176.6406 79 S 3.9372 8.2689 120.0210 59.9609 62.5945 171.1983 80 P 4.9457 0.0000 0.0000 64.0252 30.0984 176.9365 81 L 4.7523 8.3966 121.5505 55.5873 41.9375 177.0107 82 T 4.6013 7.6869 108.3810 62.4180 69.6700 173.6902 83 S 4.3043 8.1395 114.2272 59.9161 63.8127 175.1377 84 N 4.5486 7.8405 118.8856 55.2393 38.8418 176.7195 85 L 4.0977 7.9036 119.7132 57.4392 41.5020 179.4411 86 I 3.7701 7.5547 119.6881 64.2478 37.2619 177.5973 87 N 4.2164 7.7160 116.2247 55.6435 38.3634 176.6192 88 L 4.2642 8.0511 120.8777 56.9698 42.2693 178.5843 89 L 3.7632 7.8438 118.2616 57.6628 41.3195 179.8595 90 A 3.9359 8.5677 120.8087 55.2367 18.6536 179.2905 91 E 4.1170 7.7189 116.4180 59.5478 29.4561 180.6649 92 N 4.6384 8.7987 113.0828 53.2163 37.9556 175.3947 93 G 4.1498 8.5081 105.3503 46.8438 0.0000 174.1286 94 R 4.7056 8.0798 112.9841 55.3738 31.8624 178.4796 95 L 4.1002 8.1375 120.2871 58.0784 41.9400 179.5976 96 T 4.2535 7.8790 104.2398 62.7333 68.5726 174.1019 97 N 4.9144 8.3138 119.7230 53.2394 41.2503 176.4524 98 T 3.7558 7.3460 106.7626 64.5381 68.2788 174.0621 99 P 4.1993 0.0000 0.0000 65.6455 31.2534 178.3369 100 A 4.0737 8.0354 119.1446 54.8656 18.0092 179.9819 101 V 3.7538 7.5445 116.7727 64.6191 31.9870 178.4919 102 I 3.9715 8.3185 121.0408 64.3574 36.9592 177.9075 103 S 4.0932 8.2843 114.1658 61.8251 61.9950 176.4221 104 A 4.5024 7.7880 122.5769 54.0947 18.2333 178.7680 105 F 4.9470 8.0575 120.3854 61.7800 39.4389 176.9540 106 S 4.4354 8.4370 113.7395 60.5640 64.3959 173.6341 107 T 4.0120 7.9113 113.7576 61.9887 67.8077 174.7217 *110 S 4.7390 7.5516 119.6898 58.8528 64.6659 175.4559 111 V 4.5414 7.6387 115.5287 63.9459 33.6310 174.5252 112 H 4.6151 8.2419 114.8095 57.1557 31.1210 176.1323 113 R 4.1087 8.4439 115.1737 56.0909 29.5198 178.3311 114 G 3.8777 9.2106 113.7393 46.3493 0.0000 172.2610 115 E 4.7361 8.3976 117.1658 54.5812 32.5168 177.0791 116 V 4.3431 8.0449 118.1924 61.8765 33.0374 174.2687 117 P 4.3333 0.0000 0.0000 63.9565 31.7354 174.8764 118 C 5.0293 8.1764 118.4758 57.6995 31.0799 174.0995 119 T 4.0449 7.6643 111.9997 61.4977 69.2692 173.6912 120 V 4.1299 7.8853 121.0549 65.0907 31.9589 173.7758 121 T 3.7869 8.5764 126.4611 64.4051 66.2601 172.2052 122 T 4.1555 7.4067 113.4840 60.4422 70.6972 172.2538 123 A 4.2389 8.4897 123.5923 51.6933 19.7512 175.8200 124 S 4.4168 8.4199 112.2568 57.8006 63.7284 175.1562 125 A 3.9205 8.4712 127.0694 54.5810 18.5740 178.8931 126 L 3.7822 6.8821 110.1728 56.8197 38.2839 175.0411 127 D 4.7258 7.5965 128.5348 53.4608 41.3344 177.6732 128 E 4.2274 7.9494 119.8008 56.7911 28.3958 176.3425 129 T 4.7371 7.3707 110.9614 59.9139 72.5053 174.8668 130 T 4.2561 8.3531 109.8705 62.2979 69.3613 174.6743 131 L 4.6965 7.4673 122.4107 53.2427 45.1918 175.9505 132 T 4.0846 8.4978 113.8562 62.3029 69.6975 174.2232 133 E 4.7628 8.5796 123.6534 56.2805 28.1122 175.5870 134 L 4.2774 7.1314 116.1095 56.5500 41.5452 178.6175 135 K 4.5220 7.7420 115.7351 57.0079 32.2583 179.1012 136 T 4.0684 7.6770 113.1932 63.7191 68.6545 176.3353 137 V 3.4765 7.3704 120.6475 65.0170 31.9892 177.2055 138 L 4.4888 7.6203 114.4034 55.8914 41.5231 177.9807 139 K 4.5693 7.2951 118.1413 55.9373 32.3002 177.1264 140 S 4.6142 7.7048 114.4707 58.1974 62.8877 175.3321 141 F 4.6230 7.7611 121.3163 59.0918 39.3304 176.0566 142 L 5.4865 8.0621 119.6248 54.4331 42.0303 177.5606 143 S 4.5506 8.0210 113.8451 59.4817 64.5700 174.9191 144 K 3.9061 7.1977 119.4319 58.9784 32.1293 177.1825 145 G 3.7733 8.2444 112.3290 45.8426 0.0000 171.6309 146 Q 4.9002 8.2124 129.4455 54.4222 30.1584 175.2295 *169 K 3.7726 8.4388 120.4637 57.2035 33.1236 174.9383 170 Y 4.1090 8.7448 122.2276 57.8133 38.0969 174.5586 171 V 3.4518 7.9479 126.3862 66.1035 30.7754 172.7761 172 D 4.2807 8.5511 129.9233 54.1969 42.5172 178.9758 *174 S 4.3205 7.9844 116.0529 58.4233 64.6256 176.0220 175 A 4.0294 7.7411 124.1175 53.5790 18.4000 178.5485 176 K 4.5437 8.2865 114.6290 56.4880 32.6484 176.9675 177 T 5.1109 7.8738 110.2938 62.2179 70.2201 176.4927 178 K 4.1225 7.9744 119.1046 58.3916 32.6351 177.0908 179 I 4.0683 7.0769 119.3107 61.9601 38.4559 175.7948 180 Q 4.5458 7.8896 117.1465 57.3712 32.4535 177.7991 181 K 3.6276 8.6239 109.1282 60.1962 31.1179 178.7178 182 L 4.4471 8.6730 123.9768 53.3705 41.0581 174.9237 183 S 4.5630 7.9579 114.9511 58.6040 68.1484 174.6509 184 R 4.1507 8.6393 122.3998 56.9108 26.7582 177.9954 185 A 4.6178 8.2449 122.7810 52.7687 18.9000 177.4508 *187 R 4.3088 7.8015 118.4355 56.1177 32.5327 177.2400 188 E 4.0955 8.3923 117.8132 59.4751 29.6863 177.0058 189 I 3.8899 7.6700 121.9423 61.6134 37.1122 175.7958 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 1 F 8.32 4.76 0.00 3.07 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 2 A 8.04 3.80 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.22 4.36 0.00 1.78 1.78 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.43 7.81 4 L 7.97 4.81 0.00 1.59 1.54 0.92 1.02 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 5 V 8.28 3.80 2.27 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 0.83 0.00 0.00 0.99 0.00 0.00 6 R 8.01 4.25 0.00 1.86 1.91 0.00 3.26 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 7 P 0.00 4.57 0.00 2.08 2.19 0.00 3.64 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 8 P 0.00 4.52 0.00 1.95 2.03 0.00 3.53 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 9 V 9.34 4.06 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 0.79 0.00 0.00 0.80 0.00 0.00 10 Q 8.98 3.79 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 5.84 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 11 I 8.27 3.29 2.05 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 1.42 0.35 0.99 0.00 0.00 12 Y 8.99 4.71 0.00 3.01 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 13 G 8.35 5.20 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 0.00 14 I 7.89 4.51 2.00 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 1.45 0.77 0.97 0.00 0.00 15 E 8.16 4.30 0.00 2.05 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 2.19 2.25 0.00 16 G 4.00 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 0.00 0.00 0.00 17 R 7.41 3.74 0.00 1.76 1.89 0.00 3.24 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 18 Y 8.32 3.97 0.00 2.92 3.02 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 19 A 8.21 3.83 1.54 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 20 T 7.32 4.26 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 21 A 7.87 4.17 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.23 4.21 0.00 1.62 1.87 1.08 0.95 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 23 Y 6.91 4.39 0.00 2.94 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 24 S 7.70 4.69 0.00 4.08 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 25 A 8.19 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.14 4.13 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 27 S 7.44 4.29 0.00 4.18 3.89 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 28 K 8.49 4.38 0.00 1.69 1.71 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.38 7.81 29 Q 9.70 4.27 0.00 2.20 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.50 6.26 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 30 N 7.92 4.03 0.00 2.80 2.95 0.00 0.00 6.98 7.61 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 31 K 7.44 4.59 0.00 1.89 1.84 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.59 7.81 32 L 8.10 4.16 0.00 1.75 1.85 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.17 4.14 0.00 2.04 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 2.44 2.44 0.00 34 Q 7.74 4.07 0.00 2.44 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 35 V 7.65 4.08 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 1.09 0.00 0.00 36 E 7.96 3.83 0.00 2.28 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 0.00 2.41 2.54 0.00 37 K 7.65 4.36 0.00 1.85 1.79 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.46 7.81 38 E 7.60 4.04 0.00 2.31 2.40 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 2.25 2.59 0.00 39 L 8.14 3.94 0.00 1.50 1.58 0.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.01 3.95 0.00 1.76 1.78 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.82 4.08 0.00 1.90 2.25 0.00 2.79 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 42 V 7.99 3.83 1.97 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 0.85 0.00 0.00 0.42 0.00 0.00 43 G 8.11 3.89 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 0.00 0.00 0.00 44 Q 8.05 4.62 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 45 I 7.65 3.78 1.89 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 0.95 0.00 0.00 46 L 7.79 4.54 0.00 1.67 1.66 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.29 4.36 0.00 1.86 1.81 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.40 7.81 48 E 7.63 4.34 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 2.32 2.52 0.00 49 P 0.00 4.75 0.00 2.03 2.06 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 50 K 7.54 4.50 0.00 1.82 1.73 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.35 7.81 *52 A 8.12 4.25 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 53 A 7.79 4.60 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 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0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 63 S 8.37 3.99 0.00 4.03 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 64 V 8.44 4.27 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 0.94 0.00 0.00 65 K 7.46 4.60 0.00 2.02 1.76 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.43 7.81 66 V 7.69 3.89 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 0.96 0.00 0.00 0.99 0.00 0.00 67 K 7.98 4.31 0.00 1.79 1.83 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 68 S 7.92 4.69 0.00 3.95 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 69 L 7.77 4.72 0.00 1.77 1.62 0.87 0.68 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 70 S 7.87 4.59 0.00 3.99 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.84 3.76 0.00 1.72 1.64 0.74 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.57 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.72 4.12 0.00 2.14 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 2.33 2.48 0.00 92 N 8.80 4.64 0.00 2.90 2.95 0.00 0.00 7.31 8.01 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 93 G 8.51 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 0.00 0.00 0.00 94 R 8.08 4.71 0.00 1.64 1.70 0.00 3.22 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.80 0.00 95 L 8.14 4.10 0.00 1.68 1.68 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.88 4.25 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 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1.35 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.50 4.08 4.22 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 1.34 0.00 0.00 133 E 8.58 4.76 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 2.17 2.24 0.00 134 L 7.13 4.28 0.00 1.74 1.64 0.92 0.71 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 0.00 135 K 7.74 4.52 0.00 1.80 1.79 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.42 7.81 136 T 7.68 4.07 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 137 V 7.37 3.48 1.97 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 0.72 0.00 0.00 0.84 0.00 0.00 138 L 7.62 4.49 0.00 1.70 1.82 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.30 4.57 0.00 1.98 1.79 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.39 7.81 140 S 7.70 4.61 0.00 3.90 3.95 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 0.00 141 F 7.76 4.62 0.00 3.13 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 L 8.06 5.49 0.00 1.66 1.70 0.95 0.96 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 0.00 143 S 8.02 4.55 0.00 3.92 3.89 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 0.00 144 K 7.20 3.91 0.00 1.89 1.87 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.56 1.55 7.81 145 G 8.24 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 0.00 146 Q 8.21 4.90 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.46 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 *169 K 8.44 3.77 0.00 1.69 1.77 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.40 7.81 170 Y 8.74 4.11 0.00 2.98 2.92 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 0.00 171 V 7.95 3.45 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 0.81 0.00 0.00 0.95 0.00 0.00 172 D 8.55 4.28 0.00 3.08 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 *174 S 7.98 4.32 0.00 4.02 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 0.00 175 A 7.74 4.03 1.33 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 0.00 0.00 176 K 8.29 4.54 0.00 1.80 1.84 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.50 7.81 177 T 7.87 5.11 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 1.22 0.00 0.00 178 K 7.97 4.12 0.00 1.88 1.98 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.59 7.81 179 I 7.08 4.07 2.13 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 0.70 0.97 0.00 0.00 180 Q 7.89 4.55 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.37 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 181 K 8.62 3.63 0.00 1.74 1.64 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.61 7.81 182 L 8.67 4.45 0.00 1.62 1.62 0.91 0.77 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 0.00 183 S 7.96 4.56 0.00 4.04 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 0.00 184 R 8.64 4.15 0.00 1.94 1.70 0.00 3.33 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 185 A 8.24 4.62 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 *187 R 7.80 4.31 0.00 1.84 2.03 0.00 3.23 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 188 E 8.39 4.10 0.00 1.95 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 2.39 0.00 189 I 7.67 3.89 1.87 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 1.27 0.60 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.