NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3218 8.1749 117.3726 63.1116 70.7420 173.9325 4 I 3.9781 7.7143 122.8067 60.8085 37.8584 173.9514 5 R 4.6441 9.6053 126.6718 54.3903 33.4985 174.8147 6 R 4.9778 8.2721 121.0600 54.6622 32.8148 174.6640 7 Y 4.6337 8.9363 120.8344 55.7296 42.3382 174.6854 8 D 4.3428 8.5789 117.9229 55.3384 39.7668 173.7891 9 V 4.0697 7.5130 117.1388 62.7269 32.8750 174.7428 10 N 4.7915 8.8700 125.5613 51.4331 38.9514 174.6171 11 E 4.0109 8.5752 126.1488 59.3238 30.1053 179.6895 12 D 4.3907 8.1881 117.5637 57.4210 40.9395 177.7010 13 R 4.0974 8.6161 116.0186 56.1779 30.7306 176.3132 14 G 3.8788 7.5185 104.7988 46.4716 0.0000 172.3777 15 H 5.0794 7.9744 112.6747 54.1830 33.2155 172.9381 16 T 4.7721 8.4143 115.4398 61.7126 69.8422 174.8968 17 G 3.8068 9.0283 114.7538 48.9309 0.0000 173.3413 18 L 5.2472 8.3403 123.0258 53.4903 45.9352 174.8721 19 V 4.8115 9.2154 127.1968 61.3829 33.7831 173.8140 20 E 4.6810 9.6246 129.7217 55.1179 31.3279 174.6330 21 A 4.7318 8.8280 129.0779 49.6229 20.9969 177.6460 22 G 3.7413 8.6641 113.9358 47.8040 0.0000 173.1126 23 D 4.7085 8.8818 125.7638 53.4791 41.3499 175.0769 24 F 5.2596 8.0473 118.8083 55.7699 42.5394 174.1572 25 Y 5.2630 9.0204 118.9626 56.6005 41.5492 173.8946 26 Y 4.9175 9.5156 122.6494 56.2617 40.2474 174.5998 27 L 5.1355 8.7148 124.5154 52.8586 43.9236 176.1212 28 N 4.8608 8.8311 123.2256 53.0575 39.9787 173.7931 29 Y 4.4590 8.4343 119.5748 57.9050 38.5333 175.5410 30 C 5.2369 9.2124 119.7122 58.1884 31.5665 173.3389 31 V 4.6856 8.3380 120.9137 60.8269 34.3435 173.6703 32 G 3.8824 8.8908 109.4772 45.7428 0.0000 172.3248 33 N 4.2336 8.3018 113.5445 54.0673 36.0950 175.0329 34 V 3.7883 7.5161 115.4051 63.7025 32.8246 175.7640 35 G 4.1370 8.8330 112.3871 45.3060 0.0000 173.7266 36 Q 4.6126 7.2219 118.3983 54.1866 30.4677 175.1767 37 D 4.5989 8.2445 119.0075 53.3451 41.2218 177.0136 38 I 3.6425 8.2441 119.2019 64.2975 37.9000 177.3304 39 E 3.8920 8.1166 119.5418 59.4836 29.4586 178.8656 40 S 4.1362 8.2850 115.1094 61.6773 62.7886 176.6882 41 Q 4.3095 8.1343 122.1358 58.3452 28.3739 179.0058 42 I 3.0124 7.6059 120.8814 64.1910 37.0413 178.1762 43 N 4.5853 8.2903 117.5249 56.2461 38.3496 177.6337 44 G 3.6312 8.7611 107.3990 47.7564 0.0000 175.4501 45 A 4.0220 8.0394 122.4564 55.1170 18.5081 179.5396 46 F 4.7779 7.9249 114.9508 60.7157 39.1939 177.3790 47 D 4.6097 8.4980 118.9177 57.1771 40.6040 179.3246 48 E 4.2840 8.1045 118.5236 56.5832 29.6392 178.3043 *50 E 4.1908 8.1995 118.7497 55.9103 31.6959 178.3277 51 R 3.8556 8.1764 117.5264 59.4039 30.3674 178.5460 52 R 4.0407 8.1243 117.8617 59.3681 30.1107 179.0271 53 L 3.8108 7.8922 117.9806 57.7179 41.5967 179.3103 54 A 4.0819 8.1138 120.5425 54.8536 17.9999 179.5567 55 L 4.0158 7.5471 116.8661 56.8764 41.5411 178.4334 56 V 4.0640 6.9673 109.8981 60.6125 32.2605 175.6564 57 G 3.7510 7.8066 106.5474 46.4196 0.0000 174.0349 58 L 4.5422 7.8559 119.0553 52.6269 44.2706 175.1802 59 T 4.6349 7.5736 108.7857 59.4969 72.0591 174.5822 60 L 3.7932 8.0853 119.7335 57.3644 41.5333 179.1887 61 D 4.2989 7.5213 117.5904 56.6587 41.2637 176.7851 62 A 4.2659 8.1774 121.0364 52.7951 19.1243 177.0275 63 V 4.2347 7.5072 116.9025 62.8571 32.1818 175.8713 64 V 4.3650 8.9827 120.2831 62.2974 34.2694 174.9324 65 Q 5.4658 7.5830 119.5018 55.4382 33.1389 172.3597 *67 D 4.8241 8.4933 118.7060 54.4141 42.7245 174.5802 68 C 4.7786 8.8635 121.1871 57.9465 30.8274 172.7073 69 L 5.1088 8.3438 124.8359 53.0263 43.5263 175.6241 70 F 5.5144 9.4182 122.8637 55.6354 41.8164 176.6528 71 R 4.1894 9.2945 123.2280 58.1774 30.9452 175.7720 72 D 4.9616 8.3207 118.0575 51.9466 42.8678 175.9845 73 V 3.1360 8.8927 127.9229 63.7997 31.4742 178.0665 74 W 4.2623 8.1695 118.8203 57.9896 28.9012 176.8362 75 N 4.6818 8.2205 116.5589 53.5018 37.8499 176.5055 76 I 3.5381 6.8095 122.4567 64.2895 37.4416 176.1104 77 P 4.4356 0.0000 0.0000 65.0638 30.8110 178.6859 78 V 3.9639 7.4013 114.9861 63.5205 30.9990 176.4978 *80 E 4.3436 8.3014 119.5626 55.9371 31.2446 178.4166 81 K 4.0566 7.6925 115.8528 57.6949 32.2857 178.0405 *83 I 4.2171 7.8820 119.1753 61.0576 38.7614 178.1866 84 K 4.2346 8.1451 118.2193 59.5069 31.7875 178.9219 85 E 4.2206 8.2483 118.1753 58.3829 29.5288 178.3244 86 R 4.4409 7.9916 115.7280 56.5742 32.1012 177.2790 87 F 4.2510 8.8773 116.3735 56.1617 39.7979 174.8631 88 N 4.1199 9.1970 115.9675 54.7017 36.7584 174.7054 89 G 3.5510 8.2755 103.6005 45.4096 0.0000 173.7484 90 R 4.1233 7.3324 118.2156 54.4168 31.0681 174.2751 91 Y 4.8340 7.7744 120.2044 55.3556 40.1162 174.3497 92 P 4.7796 0.0000 0.0000 61.8575 33.2775 175.4972 93 A 4.4217 8.6722 122.2623 52.3361 19.3787 176.8224 94 R 5.0529 8.2372 115.7108 55.0535 32.8543 173.8324 95 K 4.8403 8.5670 117.6444 55.4321 36.6519 174.9092 96 S 5.5075 8.6614 115.7552 56.9625 66.4205 173.7220 97 I 4.6839 9.1321 123.6595 59.5816 41.1640 174.0386 98 Q 4.9890 8.6523 127.1900 55.4500 30.0742 174.4494 99 T 4.5531 8.6689 119.7846 60.7330 71.3316 172.9461 100 E 3.9760 8.4352 125.3265 55.9536 30.4347 176.1085 101 F 4.9589 8.0909 117.8294 55.7289 42.6871 175.1876 102 A 4.4556 8.3697 124.5710 51.7738 18.0421 177.2504 103 H 5.0920 7.6435 116.5430 54.7057 33.5177 175.0868 104 H 4.2841 9.1483 117.3257 56.1907 29.3707 174.7969 105 G 4.1502 8.6357 109.1311 46.9839 0.0000 172.9205 106 G 4.0042 8.7205 110.2200 44.3346 0.0000 170.0126 107 P 4.3849 0.0000 0.0000 64.3891 31.6744 175.9631 108 Q 4.1878 8.4131 119.6031 56.2407 26.2136 173.8700 109 G 3.9902 7.9562 107.2138 44.2961 0.0000 173.6420 110 L 4.2617 8.0933 122.0590 54.5462 42.5926 176.2617 111 L 4.9817 9.5630 125.0389 54.9875 44.6942 175.9971 112 F 5.3197 7.7496 118.9383 57.1324 42.3895 173.1100 113 Q 4.5900 8.1386 123.2374 54.0780 33.6441 174.2760 114 V 4.7494 8.2165 119.5223 60.1869 35.1477 173.9275 115 D 5.1427 8.7803 122.2521 51.9912 43.1181 173.7545 116 G 4.0965 7.3388 103.0507 46.5705 0.0000 172.0109 117 V 4.9904 8.2954 118.5695 60.9875 34.8693 174.8355 118 A 5.3824 9.3452 128.3063 50.4032 22.7316 174.1506 119 Y 5.0174 8.8249 119.6696 56.1734 42.5519 175.0170 120 S 3.9607 8.0820 120.2641 56.9494 66.1752 173.2874 121 K 3.8457 7.9946 129.4779 56.2294 32.4790 176.1822 122 H 4.3339 8.8844 122.9990 56.1519 28.5942 175.1817 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 3 T 8.17 4.32 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 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 4 I 7.71 3.98 1.86 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 1.34 0.57 0.97 0.00 0.00 5 R 9.61 4.64 0.00 1.85 1.51 0.00 3.06 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 6 R 8.27 4.98 0.00 1.57 1.80 0.00 3.12 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 7 Y 8.94 4.63 0.00 3.03 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 8 D 8.58 4.34 0.00 2.92 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 9 V 7.51 4.07 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 0.87 0.00 0.00 0.93 0.00 0.00 10 N 8.87 4.79 0.00 2.59 2.27 0.00 0.00 7.11 7.41 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 11 E 8.58 4.01 0.00 2.02 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 2.38 2.27 0.00 12 D 8.19 4.39 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 13 R 8.62 4.10 0.00 1.57 2.06 0.00 3.56 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 14 G 7.52 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 0.00 0.00 0.00 15 H 7.97 5.08 0.00 3.21 3.41 0.00 5.42 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.41 4.77 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 1.36 0.00 0.00 17 G 9.03 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 0.00 0.00 0.00 18 L 8.34 5.25 0.00 1.84 1.60 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.22 4.81 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 0.94 0.00 0.00 1.01 0.00 0.00 20 E 9.62 4.68 0.00 2.38 2.21 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 2.23 1.93 0.00 21 A 8.83 4.73 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 22 G 8.66 3.74 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 0.00 0.00 0.00 23 D 8.88 4.71 0.00 2.61 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 0.00 0.00 0.00 0.00 24 F 8.05 5.26 0.00 3.23 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 25 Y 9.02 5.26 0.00 2.82 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 26 Y 9.52 4.92 0.00 2.95 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 27 L 8.71 5.14 0.00 1.91 1.62 0.95 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.83 4.86 0.00 2.89 2.50 0.00 0.00 7.24 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 29 Y 8.43 4.46 0.00 2.93 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 30 C 9.21 5.24 0.00 2.93 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 31 V 8.34 4.69 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 0.64 0.00 0.00 0.86 0.00 0.00 32 G 8.89 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 0.00 0.00 0.00 33 N 8.30 4.23 0.00 2.99 2.85 0.00 0.00 6.45 7.68 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 34 V 7.52 3.79 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 0.67 0.00 0.00 0.86 0.00 0.00 35 G 8.83 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 0.00 0.00 0.00 36 Q 7.22 4.61 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 37 D 8.24 4.60 0.00 2.88 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 38 I 8.24 3.64 1.93 0.00 0.00 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 1.62 1.19 0.94 0.00 0.00 39 E 8.12 3.89 0.00 2.07 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 2.38 2.40 0.00 40 S 8.29 4.14 0.00 3.93 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 41 Q 8.13 4.31 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 42 I 7.61 3.01 1.70 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.12 0.45 0.00 0.00 43 N 8.29 4.59 0.00 2.90 2.92 0.00 0.00 6.96 7.15 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 44 G 8.76 3.63 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 0.00 0.00 0.00 45 A 8.04 4.02 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 46 F 7.92 4.78 0.00 3.13 3.04 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 0.00 0.00 0.00 47 D 8.50 4.61 0.00 2.92 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 48 E 8.10 4.28 0.00 2.06 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 2.30 2.34 0.00 *50 E 8.20 4.19 0.00 2.27 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 2.18 2.45 0.00 51 R 8.18 3.86 0.00 1.87 2.13 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 52 R 8.12 4.04 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 53 L 7.89 3.81 0.00 1.71 1.59 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.11 4.08 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 55 L 7.55 4.02 0.00 1.47 1.56 0.97 0.90 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 56 V 6.97 4.06 1.81 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 0.08 0.00 0.00 0.41 0.00 0.00 57 G 7.81 3.75 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 0.00 0.00 0.00 58 L 7.86 4.54 0.00 1.38 1.35 0.16 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.57 4.63 4.11 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 0.00 0.00 0.00 1.11 0.00 0.00 60 L 8.09 3.79 0.00 1.19 0.80 0.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.52 4.30 0.00 2.49 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 62 A 8.18 4.27 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 63 V 7.51 4.23 2.44 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 1.00 0.00 0.00 1.01 0.00 0.00 64 V 8.98 4.37 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 0.84 0.00 0.00 1.11 0.00 0.00 65 Q 7.58 5.47 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 *67 D 8.49 4.82 0.00 2.97 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 68 C 8.86 4.78 0.00 3.11 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 69 L 8.34 5.11 0.00 1.60 1.71 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.42 5.51 0.00 2.91 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 71 R 9.29 4.19 0.00 2.19 2.18 0.00 3.18 0.00 0.00 3.10 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.00 72 D 8.32 4.96 0.00 2.78 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 73 V 8.89 3.14 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 0.20 0.00 0.00 0.67 0.00 0.00 74 W 8.17 4.26 0.00 3.39 3.23 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 75 N 8.22 4.68 0.00 2.99 3.01 0.00 0.00 6.93 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 76 I 6.81 3.54 1.62 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 -0.24 0.85 0.00 0.00 77 P 0.00 4.44 0.00 2.17 2.11 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 78 V 7.40 3.96 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 0.75 0.00 0.00 0.96 0.00 0.00 *80 E 8.30 4.34 0.00 2.08 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 2.25 2.50 0.00 81 K 7.69 4.06 0.00 1.76 1.96 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.27 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.45 7.81 *83 I 7.88 4.22 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.68 0.50 0.00 0.00 84 K 8.15 4.23 0.00 1.86 1.95 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.51 7.81 85 E 8.25 4.22 0.00 2.09 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 2.38 2.45 0.00 86 R 7.99 4.44 0.00 1.75 1.75 0.00 3.29 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 87 F 8.88 4.25 0.00 3.40 3.38 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 88 N 9.20 4.12 0.00 2.79 2.80 0.00 0.00 7.09 7.98 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 89 G 8.28 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.33 4.12 0.00 1.73 1.80 0.00 3.20 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 91 Y 7.77 4.83 0.00 2.96 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.78 0.00 2.10 2.28 0.00 3.46 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 93 A 8.67 4.42 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 94 R 8.24 5.05 0.00 1.82 1.88 0.00 3.06 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 95 K 8.57 4.84 0.00 1.80 1.90 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.47 7.81 96 S 8.66 5.51 0.00 3.77 4.01 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 97 I 9.13 4.68 1.89 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 1.11 0.70 0.89 0.00 0.00 98 Q 8.65 4.99 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.60 0.00 99 T 8.67 4.55 4.09 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 0.00 0.00 0.00 0.80 0.00 0.00 100 E 8.44 3.98 0.00 1.89 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 2.23 2.22 0.00 101 F 8.09 4.96 0.00 2.97 2.77 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 0.00 102 A 8.37 4.46 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 0.00 103 H 7.64 5.09 0.00 3.00 3.09 0.00 5.72 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 9.15 4.28 0.00 3.22 3.47 0.00 5.44 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.64 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 0.00 106 G 8.72 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.38 0.00 2.08 2.05 0.00 3.85 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 2.05 2.14 0.00 108 Q 8.41 4.19 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 109 G 7.96 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 0.00 110 L 8.09 4.26 0.00 1.42 1.46 0.67 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.56 4.98 0.00 1.74 1.80 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.75 5.32 0.00 2.80 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 0.00 113 Q 8.14 4.59 0.00 1.76 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 1.93 1.57 0.00 114 V 8.22 4.75 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 0.95 0.00 0.00 1.12 0.00 0.00 115 D 8.78 5.14 0.00 2.93 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 0.00 116 G 7.34 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 0.00 117 V 8.30 4.99 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 0.84 0.00 0.00 0.93 0.00 0.00 118 A 9.35 5.38 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 0.00 119 Y 8.82 5.02 0.00 2.63 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 0.00 120 S 8.08 3.96 0.00 3.65 3.52 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 0.00 121 K 7.99 3.85 0.00 1.69 1.63 0.00 1.95 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.45 7.81 122 H 8.88 4.33 0.00 3.18 3.20 0.00 5.74 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 * Residues marked with a * may have inaccurate shift predictions.