NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3326 8.2493 123.5827 50.9943 19.9435 176.5299 2 P 4.3798 0.0000 0.0000 62.7884 31.7373 174.8394 3 Q 4.4972 9.0726 118.3613 55.9882 30.7047 176.5421 4 N 4.7768 7.4186 115.1841 50.8124 41.1354 174.8499 5 I 3.6872 8.1917 119.8233 64.3409 37.9345 177.9226 6 T 3.8506 7.8841 116.3286 66.4772 68.2206 176.3201 7 E 3.9272 8.5286 119.6420 59.4486 29.8835 178.9761 8 L 4.1456 7.9285 120.1957 58.2940 42.2668 178.0968 9 C 4.2767 8.4395 118.6404 59.8724 43.3837 175.6204 10 S 4.0496 7.8927 114.9708 60.7074 62.4704 175.6242 11 E 4.0373 7.8904 119.9216 56.6659 29.7043 176.0095 12 Y 4.8094 7.1444 116.4913 55.9929 40.8266 175.4277 13 H 4.4265 8.8860 120.2823 57.0624 29.6934 174.6772 14 N 4.4466 9.0311 117.4948 54.9549 35.6350 173.7796 15 T 5.3615 8.0207 106.2880 60.0879 71.9532 172.6663 16 Q 4.6099 8.8056 119.6191 54.8755 32.8554 173.3349 17 I 4.7161 8.1502 120.6572 60.4660 38.6126 174.7565 18 Y 4.3828 9.1004 125.3511 56.7843 39.9888 174.9006 19 T 4.6437 8.5412 121.1698 62.7912 68.9722 174.0762 20 I 3.8729 8.7344 127.9500 61.9795 38.2873 177.0468 21 N 4.1527 7.8339 116.0337 53.2346 36.0947 172.8758 22 D 4.6440 7.7023 114.9367 52.8640 45.0995 174.5894 23 K 4.7696 8.4520 122.8033 56.3996 33.4730 176.6565 24 I 3.6118 8.2177 121.2813 61.2496 37.7156 176.0446 25 L 4.4066 8.6027 128.9755 57.6602 42.5579 176.9955 26 S 4.6694 7.6505 112.6387 56.5077 66.8645 172.0383 27 Y 4.8550 7.7569 121.3736 56.0746 41.4079 174.5060 28 T 4.5958 7.9978 122.7188 61.5059 72.2675 172.8015 29 E 5.0076 8.4994 122.4281 54.5640 33.2316 174.5777 30 S 4.7678 8.7306 115.8708 56.4668 65.6248 174.1140 31 L 4.4719 8.5823 124.8771 55.1908 41.1014 176.3666 32 A 4.0830 7.9359 124.2421 51.7359 18.8713 177.6688 33 G 3.7663 8.6982 113.6022 47.7584 0.0000 174.7543 34 K 4.0813 8.6604 123.2808 55.0154 30.5676 173.1206 35 R 4.7792 7.8988 117.1020 57.0018 31.0421 176.9500 36 E 5.1936 8.4016 118.0338 55.1677 27.8217 175.8072 37 M 5.0049 7.9957 120.3140 53.2195 36.0612 174.2617 38 A 5.0429 8.3704 119.4695 50.1630 22.8948 175.2876 39 I 5.0874 8.2188 119.8973 59.4499 41.5024 174.6566 40 I 5.0272 8.8436 119.7116 59.2323 40.9878 174.3945 41 T 5.0771 8.2143 112.5489 60.0501 72.6580 172.4471 42 F 5.3815 8.5279 120.1332 55.2076 42.7245 176.6888 43 K 4.2077 8.3491 121.4642 59.0107 32.4455 177.5337 44 N 4.5764 8.2441 116.1708 53.2041 37.5436 175.8049 45 G 3.8866 8.2238 107.4974 45.0297 0.0000 173.6810 46 A 4.0068 8.1448 122.4698 51.8132 19.6789 176.8848 47 T 4.8216 7.6981 117.3139 61.6851 71.7323 173.5065 48 F 5.3591 9.0772 123.5326 55.7507 43.7872 173.7028 49 Q 5.1103 9.1997 118.7772 54.4798 32.1535 174.3960 50 V 4.4770 8.5561 121.3943 61.4505 32.8245 175.2100 51 E 4.3490 8.8895 127.8697 56.2154 30.1170 177.4500 52 V 3.6900 8.3944 116.1582 61.3413 32.2377 176.8224 53 P 4.3636 0.0000 0.0000 62.7599 31.7873 176.2087 *59 D 4.4528 8.4600 120.7455 56.1460 42.4265 172.6096 60 S 4.4173 8.8782 122.3252 61.8897 62.8340 177.8789 61 Q 4.1842 8.1679 125.2674 60.3238 28.1294 182.2572 62 K 4.2487 8.1302 127.3330 60.4896 31.7835 182.2201 63 K 4.2220 7.8623 125.2470 59.5449 31.4818 180.8994 64 A 4.2185 8.0096 121.2838 54.9522 18.3638 179.8470 65 I 3.6929 7.8981 118.5309 64.5801 37.2037 178.4522 66 E 3.9908 8.1186 119.1584 59.3677 29.2187 179.3574 67 R 3.8900 8.2539 118.9285 59.6111 30.0725 178.0444 68 M 4.0189 8.3462 118.2463 58.8038 32.2251 178.3193 69 K 4.0979 8.0435 118.1711 59.5749 32.2134 178.9836 70 D 4.3840 8.2369 119.1171 57.7211 40.6776 179.0655 71 T 3.8743 8.1594 116.3936 66.6912 68.4025 176.8044 72 L 4.0609 8.3180 121.2599 57.6654 41.6449 179.5411 73 R 2.8321 7.9247 118.6539 59.1420 29.9478 178.4994 74 I 3.6454 7.7438 118.2015 63.7818 37.9911 177.4006 75 A 3.9761 8.2833 122.1438 55.4286 18.2932 178.9991 76 Y 3.9634 8.1552 117.8505 61.0293 38.7516 178.3938 77 L 3.8002 7.8753 118.4478 56.9243 41.7552 178.5107 78 T 4.2730 7.7601 107.3301 60.3653 69.2972 174.1932 79 E 3.6721 7.7075 119.0855 57.1051 27.8918 174.6289 80 A 4.1345 7.7476 119.8390 51.7526 19.3146 178.5053 81 K 4.2051 8.7374 124.4173 56.5390 33.8785 175.6147 82 V 3.8681 8.8056 128.2254 62.3599 32.5606 175.1347 83 E 4.4245 9.6190 130.9760 57.3807 29.7781 175.5072 84 K 5.1634 8.6182 117.4834 54.4313 37.0512 174.5718 85 L 4.9587 8.7263 121.9522 53.0669 45.3253 174.6821 86 C 5.0272 8.7498 123.7143 55.3944 46.0761 172.7861 87 V 4.8278 8.6396 119.2166 59.1617 36.0142 174.7624 88 W 5.1596 9.2525 124.2084 56.2142 29.9491 176.4263 89 N 5.2420 9.3125 122.4038 51.8119 37.6006 175.0793 90 N 4.9361 8.2224 115.7572 52.8307 37.4346 174.5629 91 K 4.7429 7.8083 116.8421 55.5102 36.1527 175.4315 92 T 4.8352 8.2054 116.4532 61.1365 71.4032 172.5140 93 P 4.5079 0.0000 0.0000 62.1420 32.0554 176.0343 94 N 4.8404 8.7751 118.1430 53.5926 40.0995 173.7179 95 S 5.2750 9.0234 116.8650 56.6877 64.6103 173.1515 96 I 4.1920 8.7512 128.9740 61.6012 36.6857 175.6310 97 A 4.2080 8.7188 129.4370 53.3974 20.0008 176.7983 98 A 4.5998 7.2507 114.3454 50.9560 22.9052 175.1858 99 I 5.0417 8.0990 118.5330 59.3321 41.6068 174.3549 100 S 4.8758 9.0232 122.2591 56.7542 66.1353 172.6134 101 M 5.1748 8.2574 120.8503 53.6550 35.0635 175.5007 102 A 4.0854 8.1592 124.3961 52.9842 19.9295 175.9231 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 A 8.25 4.33 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.38 0.00 2.31 2.08 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 3 Q 9.07 4.50 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 4 N 7.42 4.78 0.00 2.93 2.87 0.00 0.00 5.86 7.82 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 5 I 8.19 3.69 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.87 0.00 0.00 6 T 7.88 3.85 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 1.18 0.00 0.00 7 E 8.53 3.93 0.00 2.07 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 2.34 2.32 0.00 8 L 7.93 4.15 0.00 1.84 1.83 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.44 4.28 0.00 3.19 3.13 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 0.00 0.00 0.00 10 S 7.89 4.05 0.00 4.02 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 11 E 7.89 4.04 0.00 1.95 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 12 Y 7.14 4.81 0.00 3.10 3.08 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 13 H 8.89 4.43 0.00 3.25 3.35 0.00 6.01 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 9.03 4.45 0.00 3.21 3.13 0.00 0.00 6.51 7.05 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 15 T 8.02 5.36 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 0.95 0.00 0.00 16 Q 8.81 4.61 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 17 I 8.15 4.72 1.80 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 1.28 0.81 0.85 0.00 0.00 18 Y 9.10 4.38 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.54 4.64 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 1.18 0.00 0.00 20 I 8.73 3.87 1.54 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.24 -0.02 0.00 0.00 21 N 7.83 4.15 0.00 2.78 2.81 0.00 0.00 6.62 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 22 D 7.70 4.64 0.00 2.90 2.50 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 23 K 8.45 4.77 0.00 1.95 1.85 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.54 7.81 24 I 8.22 3.61 2.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 0.94 0.00 0.00 25 L 8.60 4.41 0.00 1.68 1.83 0.97 1.11 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 26 S 7.65 4.67 0.00 3.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.76 4.86 0.00 2.38 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 0.00 0.00 0.00 28 T 8.00 4.60 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 1.06 0.00 0.00 29 E 8.50 5.01 0.00 1.86 1.67 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 2.24 2.30 0.00 30 S 8.73 4.77 0.00 3.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.58 4.47 0.00 1.76 1.74 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.94 4.08 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 33 G 8.70 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 34 K 8.66 4.08 0.00 2.01 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.27 7.81 35 R 7.90 4.78 0.00 1.80 1.88 0.00 3.27 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 36 E 8.40 5.19 0.00 1.83 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 2.31 2.33 0.00 37 M 8.00 5.00 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 38 A 8.37 5.04 1.12 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 0.00 0.00 39 I 8.22 5.09 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.58 0.86 0.00 0.00 40 I 8.84 5.03 1.67 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.00 0.98 0.00 0.00 41 T 8.21 5.08 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 1.09 0.00 0.00 42 F 8.53 5.38 0.00 3.33 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.35 4.21 0.00 1.97 2.02 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.76 1.45 7.81 44 N 8.24 4.58 0.00 2.90 3.02 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.22 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 46 A 8.14 4.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.82 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 48 F 9.08 5.36 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 9.20 5.11 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.35 0.00 50 V 8.56 4.48 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 51 E 8.89 4.35 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 52 V 8.39 3.69 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 0.77 0.00 0.00 0.91 0.00 0.00 53 P 0.00 4.36 0.00 2.03 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 *59 D 8.46 4.45 0.00 2.71 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 60 S 8.88 4.42 0.00 3.88 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 61 Q 8.17 4.18 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.91 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 62 K 8.13 4.25 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.08 7.81 63 K 7.86 4.22 0.00 1.70 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 64 A 8.01 4.22 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 65 I 7.90 3.69 2.06 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 1.57 1.27 0.94 0.00 0.00 66 E 8.12 3.99 0.00 2.22 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 2.57 2.48 0.00 67 R 8.25 3.89 0.00 1.88 2.11 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.35 4.02 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 69 K 8.04 4.10 0.00 2.09 1.96 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.68 7.81 70 D 8.24 4.38 0.00 2.91 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 71 T 8.16 3.87 4.44 0.00 0.00 0.00 0.00 0.00 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 72 L 8.32 4.06 0.00 1.93 1.95 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.92 2.83 0.00 1.52 1.88 0.00 3.03 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 74 I 7.74 3.65 1.83 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 1.43 1.03 1.00 0.00 0.00 75 A 8.28 3.98 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 76 Y 8.16 3.96 0.00 3.08 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 77 L 7.88 3.80 0.00 1.60 1.64 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.76 4.27 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 1.23 0.00 0.00 79 E 7.71 3.67 0.00 2.07 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 0.00 2.07 2.05 0.00 80 A 7.75 4.13 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 81 K 8.74 4.21 0.00 1.87 1.80 0.00 1.69 0.00 0.00 1.96 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.51 7.81 82 V 8.81 3.87 2.29 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 0.86 0.00 0.00 1.14 0.00 0.00 83 E 9.62 4.42 0.00 2.02 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 0.00 2.25 2.38 0.00 84 K 8.62 5.16 0.00 1.67 1.57 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.34 7.81 85 L 8.73 4.96 0.00 1.12 1.11 0.44 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.75 5.03 0.00 2.85 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 87 V 8.64 4.83 2.20 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 0.44 0.00 0.00 1.26 0.00 0.00 88 W 9.25 5.16 0.00 3.42 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 89 N 9.31 5.24 0.00 2.85 3.14 0.00 0.00 6.89 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.22 4.94 0.00 2.87 3.01 0.00 0.00 5.92 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 91 K 7.81 4.74 0.00 1.86 1.73 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.39 7.81 92 T 8.21 4.84 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 1.21 0.00 0.00 93 P 0.00 4.51 0.00 1.95 2.04 0.00 3.70 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 2.00 2.07 0.00 94 N 8.78 4.84 0.00 3.02 3.04 0.00 0.00 7.13 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 95 S 9.02 5.27 0.00 4.08 4.14 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 0.00 0.00 0.00 0.00 96 I 8.75 4.19 1.90 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 0.96 0.79 0.85 0.00 0.00 97 A 8.72 4.21 -0.12 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 0.00 0.00 98 A 7.25 4.60 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.10 5.04 1.84 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 1.39 0.92 0.91 0.00 0.00 100 S 9.02 4.88 0.00 3.90 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 0.00 101 M 8.26 5.17 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 102 A 8.16 4.09 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 * Residues marked with a * may have inaccurate shift predictions.