NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5159 8.1927 115.5410 58.3332 64.5436 171.4450 3 V 4.8480 8.2749 122.4806 59.9404 32.7760 173.4786 4 K 4.4914 8.7124 125.7922 55.8335 36.7092 173.8328 *6 K 4.4812 8.5181 119.4033 56.5232 33.6345 175.6733 7 K 3.5001 8.5915 128.1813 56.0663 32.7906 176.1457 8 C 4.2734 8.4080 125.9907 59.8528 29.0532 173.2041 9 S 4.7532 9.3515 118.8504 56.0855 66.0442 174.7997 10 R 3.8639 8.4540 119.6417 59.8188 29.3462 177.9264 11 E 4.1634 8.0392 115.2870 58.2777 30.1397 177.4709 12 D 4.7310 7.8781 119.4025 54.1760 41.0409 177.4433 13 L 3.7656 7.5486 122.6128 58.5701 42.0139 179.0232 14 Q 3.9350 7.9619 116.9879 59.2677 28.6881 178.8652 15 T 3.7736 7.8098 116.2106 66.4506 68.5357 176.2759 16 L 3.9844 8.4991 122.6639 58.1794 42.0674 178.7632 17 Q 3.7449 8.1027 119.5268 59.2028 29.0055 178.1694 18 Q 3.8495 7.8742 120.4992 59.0497 29.1077 177.8588 19 L 3.8545 7.8642 121.4681 58.0508 42.0779 179.1006 20 S 3.6986 7.9294 115.4974 61.3349 62.5231 176.7269 21 I 3.6232 7.1971 122.2233 64.3355 36.9010 178.2679 22 E 3.9954 8.0501 119.4804 59.8075 29.1520 179.6970 23 T 3.9779 7.6170 108.2779 64.6751 69.0716 176.0827 24 F 4.2559 8.1759 123.5154 60.9379 39.5127 176.5196 25 N 4.5554 8.7542 117.1010 56.9603 38.6482 175.8232 26 D 4.6082 8.1080 115.5569 55.9732 41.2740 176.7539 27 T 4.3800 7.9238 114.5791 64.5348 70.2548 174.9042 28 F 4.8343 7.6425 116.1718 56.7779 40.3045 176.6826 29 K 4.0161 8.2308 123.9579 59.5003 32.1197 177.8474 30 E 4.1018 8.3061 118.3080 58.5215 29.7629 176.6665 31 Q 4.7338 7.7532 117.3234 55.5063 29.1683 174.3372 32 N 5.1477 7.7756 111.7319 50.9081 42.7128 174.4102 33 S 4.4508 8.4602 115.3073 57.3708 64.0700 172.6271 34 P 4.4390 0.0000 0.0000 65.9441 31.7913 177.8847 35 E 4.1592 8.3093 117.3442 59.6630 29.7424 179.2329 36 N 4.6673 8.1202 114.7335 53.6293 38.3478 177.0610 *38 K 4.2063 8.2811 120.8703 56.5289 34.3530 177.5651 39 A 3.9763 7.9555 120.0295 55.3094 18.2244 179.0249 40 Y 3.8188 8.0036 119.2798 60.2581 38.9305 177.9219 41 L 3.8616 8.0578 119.4066 58.0972 41.5240 179.3436 42 E 3.9929 7.9161 117.3960 58.7774 29.1745 178.7822 43 S 4.2147 7.6814 113.1190 59.6840 63.2934 175.8118 44 A 3.8149 7.3045 123.5836 52.4220 19.0819 177.6715 45 F 4.9957 7.0748 113.7312 57.0562 39.9053 176.0320 46 N 4.5703 7.8268 119.1681 52.7362 39.2022 175.4105 47 T 3.8054 8.4982 118.6704 67.1902 68.5415 176.2546 48 E 3.9033 8.1226 120.2630 59.1167 29.7716 178.3869 49 Q 3.8772 8.9003 119.8791 59.3859 29.1637 178.3303 50 L 4.0118 7.8397 119.8959 57.5986 41.6899 179.1600 51 E 3.8664 8.2348 119.4904 58.9370 29.3183 178.8255 52 K 3.9288 7.8200 118.7031 59.6478 32.7724 178.3112 53 E 4.2286 8.3028 118.8274 59.5833 29.1950 179.4532 54 L 4.1802 8.1908 118.3657 57.4858 41.7377 178.8796 55 S 4.4650 7.6471 112.3186 60.7623 63.8424 175.4734 56 N 4.5992 7.9687 120.5863 53.2844 41.3729 175.4071 *58 S 4.4543 8.3023 117.9343 58.3272 65.4878 173.4283 59 S 5.2801 8.1390 115.1049 56.9718 66.4052 173.4629 60 Q 4.6074 8.7149 122.5852 54.9431 32.8208 173.2017 61 F 5.4924 8.9062 124.0798 55.8360 42.6015 174.2972 62 F 5.1746 9.3169 120.1319 55.9254 42.9093 174.0275 63 F 5.6600 9.3331 122.3436 56.4353 40.7780 175.0704 64 I 4.8835 8.5724 121.5748 59.5642 40.9983 173.8775 65 Y 5.2101 9.5612 125.7700 56.1825 42.3111 174.5596 66 F 5.0238 8.7590 123.5764 56.8534 42.6045 174.4452 67 D 3.9026 9.0663 127.6064 55.9136 38.3870 174.8153 68 H 4.1683 8.3546 112.9071 56.0427 26.7060 174.6079 69 E 4.6822 7.7605 120.1973 54.0327 31.0582 175.2906 70 I 3.1473 8.3674 123.7097 61.1640 38.4252 174.9401 71 A 3.6830 8.8387 129.0541 50.6662 21.5381 175.9854 72 G 4.1953 7.0470 100.7057 47.3829 0.0000 170.5771 73 Y 5.8003 8.1896 117.2599 56.2250 42.0943 174.0252 74 V 4.7957 9.0737 118.3896 59.8662 35.4881 174.1590 75 K 4.7775 9.2172 124.0681 54.7259 35.0314 175.1623 76 V 4.9177 8.6951 120.4372 59.6651 35.2816 174.4548 77 N 5.7197 8.9544 119.9445 51.5860 42.9547 173.4236 78 I 4.9293 8.3981 113.9912 58.4082 41.8817 177.4007 79 D 4.1638 8.9485 122.8311 55.6761 39.9885 177.2868 80 D 4.4875 8.8405 126.8103 57.1981 40.6852 176.7066 81 A 4.2555 7.8812 121.4584 53.6270 19.1622 178.0970 82 Q 4.4527 7.8319 116.2601 55.8812 29.2140 177.6006 83 S 4.4646 9.3773 116.2201 59.9089 63.4331 174.1627 84 E 4.7455 7.9239 119.5901 54.3711 33.1819 174.7470 85 E 3.9165 8.6312 123.5959 55.9169 30.3329 176.2818 *87 G 3.6763 8.2921 113.6083 45.7540 0.0000 171.9474 88 A 4.8115 8.3301 118.8593 51.5831 18.7826 177.3012 89 E 4.8959 8.1190 115.6628 56.7069 31.3419 175.3169 90 S 5.9301 8.0218 113.0665 55.4761 66.9037 172.7537 91 L 5.0185 8.5134 121.0384 53.3065 45.5698 174.3025 92 E 4.2565 9.2399 126.5010 54.3090 32.2694 174.9100 93 I 4.2465 7.5521 127.8449 60.0446 36.7340 175.0708 94 E 4.0230 8.6262 129.5258 58.3648 30.3651 177.2131 95 R 4.8420 7.6896 116.7910 54.5323 34.8818 174.6357 96 I 4.6256 7.6899 122.7761 60.3205 40.7653 173.3051 97 Y 4.7838 8.9140 127.1081 56.3793 42.4441 174.2667 98 I 4.9625 8.2652 123.4635 58.9831 40.4937 175.7704 99 K 4.0896 9.3100 126.6690 56.4970 33.0895 177.1892 100 N 4.1877 9.2706 122.6143 56.9708 38.7455 176.9444 101 S 4.1586 8.1192 109.8478 60.3167 63.1507 174.4714 102 F 4.5949 8.3013 118.6432 57.2361 39.2568 175.9430 103 Q 4.1411 7.7363 119.9633 56.4508 29.0107 175.4019 104 K 3.8223 8.4556 115.5523 58.3101 29.1596 176.2262 105 H 4.7260 8.0693 111.5770 55.3047 30.5244 174.7492 106 G 3.9998 8.3243 107.6692 45.9183 0.0000 175.8746 107 L 4.2432 7.7989 120.6191 57.4482 41.5693 179.3335 108 G 3.3550 7.8990 105.4449 47.4596 0.0000 175.4248 109 K 4.1648 8.1607 121.7045 59.6692 32.2616 178.2820 110 H 4.1872 8.1462 116.0981 59.0290 28.6694 177.7952 111 L 4.0163 8.0656 120.6465 57.7166 41.4392 179.4082 112 L 4.0168 8.3680 120.5516 58.2918 42.0266 178.8005 113 N 4.4241 8.6752 116.6928 55.7870 38.3074 177.3970 114 K 3.8370 7.9844 121.3783 59.2570 32.2707 178.7336 115 A 3.9286 7.8834 121.1663 55.1688 18.1742 179.7301 116 I 3.7082 7.8858 118.4691 64.3950 37.0728 178.2614 117 E 3.9091 8.3257 120.4089 59.3389 29.3915 178.9844 118 I 3.6893 8.0306 119.8815 64.1695 37.0764 178.2939 119 A 3.9862 8.0691 121.6600 55.1221 18.2634 179.6851 120 L 3.9189 8.1857 117.8106 58.0300 41.5114 179.4510 121 E 4.0155 8.2814 118.1977 58.9087 29.6207 178.0622 122 R 4.2780 7.9429 115.6462 54.9836 30.6760 175.5393 123 N 4.2056 7.9255 116.2762 54.3641 37.9364 174.0762 124 K 4.4375 8.2135 115.8602 55.1834 33.6104 177.9105 125 K 4.5030 8.8962 123.5482 59.2909 33.2135 176.5447 126 N 5.3349 7.9992 115.1245 51.5537 41.0941 173.2763 127 I 5.2903 8.5829 119.9270 59.2444 41.5959 174.1319 128 W 5.7803 8.7183 124.3941 55.7602 32.4957 172.8387 129 L 3.9356 8.5992 118.0723 54.8980 42.7925 173.5561 130 G 4.5612 8.4745 107.0810 44.5033 0.0000 173.2295 131 V 4.7441 8.8247 123.0561 59.2326 35.1981 174.3115 132 W 5.0189 9.2912 134.7471 57.9636 30.8526 176.1608 133 E 3.9307 9.7402 128.9787 59.2523 29.1896 178.1146 134 K 3.6913 6.7010 116.0980 57.9842 32.6812 177.7830 135 N 4.3834 7.5640 119.8113 52.1363 35.7703 174.7037 136 E 3.8873 7.7667 124.3379 58.8929 30.0653 178.1217 137 N 4.1632 7.9503 116.3489 56.6959 39.0257 176.6914 138 A 3.6085 7.6814 121.6000 54.8717 18.4183 179.4758 139 I 3.7403 7.7083 118.1768 64.5541 37.2181 178.4851 140 A 3.9612 8.0219 121.5677 54.9474 17.9355 179.4385 141 F 4.0327 7.7808 118.1412 61.7402 39.8060 176.5423 142 Y 3.9908 7.6765 116.5217 61.0868 37.4114 179.0039 143 K 4.5403 8.0360 119.6138 58.4841 32.3650 180.1304 144 K 4.2621 7.7647 120.6722 55.9213 32.1532 177.6290 *146 G 3.8868 7.9765 105.0141 44.5314 0.0000 173.5253 147 F 4.6258 8.4620 119.3674 57.1023 40.4397 175.1755 148 V 4.6612 8.3818 114.1766 59.3976 35.4841 175.2429 149 Q 4.5048 8.8564 125.5759 56.6023 28.8936 175.4992 150 T 4.4640 8.8996 117.0119 62.1420 70.7787 173.8942 151 G 4.1775 7.7363 107.7164 46.4118 0.0000 171.7604 152 A 5.2860 8.3616 118.7791 51.3389 21.8925 175.6380 153 H 5.0514 8.9710 116.6675 54.0752 32.5524 173.0485 154 S 5.1642 8.7540 115.6915 58.5973 63.9043 173.4495 155 F 5.0077 8.8403 116.6735 56.0012 41.6613 173.7764 156 Y 4.3819 7.9908 117.8624 57.5015 40.1068 175.6339 *158 G 3.9555 8.8436 110.9368 45.7081 0.0000 173.2331 159 D 4.8905 9.3938 115.8165 52.3655 41.4155 175.4429 160 E 4.8071 7.8696 119.4606 54.5447 32.8583 174.2358 161 E 4.1420 8.3849 123.3871 56.2462 30.6587 175.6164 162 Q 4.6078 8.6103 121.1552 54.6238 34.1392 173.6879 163 T 5.1367 8.6853 115.8296 62.1397 71.4244 173.1504 164 D 5.3164 9.4201 126.4455 52.6262 43.4905 174.7544 165 L 5.0778 9.0604 126.7066 53.8427 43.6906 176.4535 166 I 5.1115 8.8861 124.1517 59.3718 40.0803 174.4105 *168 A 4.6541 8.1599 124.5271 52.3478 20.6335 175.2148 169 K 4.5829 8.2624 118.4169 55.5337 35.9247 174.9287 170 T 4.5150 8.3854 123.7462 62.4687 69.2670 174.6189 171 L 4.8020 8.7649 126.8789 54.3898 43.9688 177.5940 172 I 3.8749 8.4677 121.2250 61.9683 38.0075 175.9597 173 L 4.6358 8.2863 122.6110 54.0904 43.5974 176.2109 174 E 4.1214 8.2589 121.3501 56.6416 29.2759 176.7436 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 S 8.19 4.52 0.00 3.93 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 3 V 8.27 4.85 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 0.76 0.00 0.00 1.09 0.00 0.00 4 K 8.71 4.49 0.00 1.89 1.90 0.00 1.27 0.00 0.00 1.47 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.46 7.81 *6 K 8.52 4.48 0.00 2.08 2.12 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.52 7.81 7 K 8.59 3.50 0.00 1.31 1.48 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.05 0.65 7.81 8 C 8.41 4.27 0.00 2.56 2.39 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 9 S 9.35 4.75 0.00 3.75 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 10 R 8.45 3.86 0.00 1.83 1.90 0.00 3.15 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 11 E 8.04 4.16 0.00 2.16 2.05 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 2.26 2.34 0.00 12 D 7.88 4.73 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 3.77 0.00 1.80 1.66 0.83 1.02 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 14 Q 7.96 3.94 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 15 T 7.81 3.77 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 16 L 8.50 3.98 0.00 1.70 1.72 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.10 3.74 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 18 Q 7.87 3.85 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 19 L 7.86 3.85 0.00 1.61 1.51 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.93 3.70 0.00 3.15 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.20 3.62 1.92 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 1.66 0.69 0.97 0.00 0.00 22 E 8.05 4.00 0.00 2.00 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 2.54 0.00 23 T 7.62 3.98 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 24 F 8.18 4.26 0.00 3.27 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.75 4.56 0.00 3.11 3.08 0.00 0.00 6.90 9.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.11 4.61 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.92 4.38 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 0.75 0.00 0.00 28 F 7.64 4.83 0.00 2.84 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.23 4.02 0.00 2.01 1.88 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.46 7.81 30 E 8.31 4.10 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 31 Q 7.75 4.73 0.00 2.59 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.44 0.00 0.00 0.00 0.00 0.00 2.51 3.00 0.00 32 N 7.78 5.15 0.00 2.92 2.69 0.00 0.00 7.12 7.57 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 33 S 8.46 4.45 0.00 4.01 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 34 P 0.00 4.44 0.00 2.10 2.21 0.00 3.72 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 2.06 2.16 0.00 35 E 8.31 4.16 0.00 2.10 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 2.41 0.00 36 N 8.12 4.67 0.00 2.99 2.86 0.00 0.00 6.65 7.42 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 *38 K 8.28 4.21 0.00 1.99 2.01 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 39 A 7.96 3.98 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 40 Y 8.00 3.82 0.00 2.99 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 41 L 8.06 3.86 0.00 1.98 1.79 1.28 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.92 3.99 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 43 S 7.68 4.21 0.00 3.89 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 44 A 7.30 3.81 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 7.07 5.00 0.00 3.07 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.83 4.57 0.00 2.95 3.12 0.00 0.00 6.12 7.22 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 47 T 8.50 3.81 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 48 E 8.12 3.90 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 49 Q 8.90 3.88 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 50 L 7.84 4.01 0.00 1.69 1.54 0.90 0.93 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 51 E 8.23 3.87 0.00 2.21 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 2.28 2.27 0.00 52 K 7.82 3.93 0.00 1.88 2.03 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 53 E 8.30 4.23 0.00 2.37 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 63 F 9.33 5.66 0.00 2.99 2.45 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 64 I 8.57 4.88 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 2.00 0.94 0.00 0.00 65 Y 9.56 5.21 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 66 F 8.76 5.02 0.00 3.09 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 67 D 9.07 3.90 0.00 2.39 2.47 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 68 H 8.35 4.17 0.00 3.31 3.43 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.76 4.68 0.00 2.39 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 0.00 2.33 2.29 0.00 70 I 8.37 3.15 1.38 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 0.69 0.17 0.71 0.00 0.00 71 A 8.84 3.68 0.59 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 0.00 0.00 72 G 7.05 4.20 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 73 Y 8.19 5.80 0.00 3.52 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 9.07 4.80 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 0.89 0.00 0.00 0.97 0.00 0.00 75 K 9.22 4.78 0.00 1.51 1.57 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.65 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.84 0.21 7.81 76 V 8.70 4.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.02 0.00 0.00 77 N 8.95 5.72 0.00 2.60 2.69 0.00 0.00 6.61 7.22 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 78 I 8.40 4.93 1.91 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 1.42 0.86 0.94 0.00 0.00 79 D 8.95 4.16 0.00 2.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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122 R 7.94 4.28 0.00 2.01 1.96 0.00 3.56 0.00 0.00 3.18 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 123 N 7.93 4.21 0.00 2.82 2.86 0.00 0.00 7.10 5.98 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 0.00 124 K 8.21 4.44 0.00 1.77 1.89 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 125 K 8.90 4.50 0.00 1.90 1.85 0.00 1.55 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 126 N 8.00 5.33 0.00 2.76 2.83 0.00 0.00 5.68 7.84 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 0.00 127 I 8.58 5.29 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.68 0.00 0.00 128 W 8.72 5.78 0.00 3.56 3.15 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 0.00 129 L 8.60 3.94 0.00 1.42 1.39 0.37 -1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.47 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.82 4.74 2.31 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 0.99 0.00 0.00 1.13 0.00 0.00 132 W 9.29 5.02 0.00 3.58 3.26 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 0.00 133 E 9.74 3.93 0.00 2.04 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 0.00 2.29 2.30 0.00 134 K 6.70 3.69 0.00 0.79 0.87 0.00 1.55 0.00 0.00 1.39 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.91 0.89 7.81 135 N 7.56 4.38 0.00 2.72 2.75 0.00 0.00 7.03 8.02 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 0.00 136 E 7.77 3.89 0.00 1.93 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 2.29 2.35 0.00 137 N 7.95 4.16 0.00 2.71 2.66 0.00 0.00 7.10 8.37 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 0.00 138 A 7.68 3.61 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.71 3.74 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.95 0.00 0.00 140 A 8.02 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 7.78 4.03 0.00 2.77 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 0.00 142 Y 7.68 3.99 0.00 3.06 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 0.00 143 K 8.04 4.54 0.00 1.88 1.90 0.00 1.69 0.00 0.00 1.50 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.53 7.81 144 K 7.76 4.26 0.00 1.87 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 *146 G 7.98 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 0.00 147 F 8.46 4.63 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.38 4.66 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 0.65 0.00 0.00 0.99 0.00 0.00 149 Q 8.86 4.50 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 150 T 8.90 4.46 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 1.28 0.00 0.00 151 G 7.74 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 0.00 0.00 0.00 0.00 152 A 8.36 5.29 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 0.00 153 H 8.97 5.05 0.00 3.28 3.40 0.00 5.46 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.75 5.16 0.00 3.76 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.84 5.01 0.00 3.09 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 7.99 4.38 0.00 2.93 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 *158 G 8.84 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 0.00 159 D 9.39 4.89 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 7.87 4.81 0.00 1.99 1.76 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 2.22 2.30 0.00 161 E 8.38 4.14 0.00 1.62 1.52 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 1.47 1.47 0.00 162 Q 8.61 4.61 0.00 0.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 163 T 8.69 5.14 4.51 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 1.31 0.00 0.00 164 D 9.42 5.32 0.00 2.49 2.37 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 0.00 165 L 9.06 5.08 0.00 1.69 1.64 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 166 I 8.89 5.11 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.39 0.97 0.00 0.00 *168 A 8.16 4.65 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 0.00 169 K 8.26 4.58 0.00 0.96 0.84 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.38 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.10 1.20 7.81 170 T 8.39 4.52 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 1.22 0.00 0.00 171 L 8.76 4.80 0.00 1.56 1.31 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 172 I 8.47 3.87 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.90 0.00 0.00 173 L 8.29 4.64 0.00 1.60 1.69 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.26 4.12 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.