NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0815 8.1600 109.1379 45.7642 0.0000 175.8995 2 Q 3.9543 7.5566 118.1842 58.8033 28.7687 176.9625 3 T 4.1006 8.7642 117.8636 66.6770 68.9672 176.3362 4 T 3.8757 7.8992 117.3508 66.4524 68.3617 176.2224 5 F 4.1700 8.2310 121.3861 61.8110 39.5388 176.9383 6 T 3.8381 8.1641 114.1264 66.6241 68.5287 176.2436 7 E 4.1064 8.5199 120.8933 59.0734 29.4043 179.0618 8 L 3.7120 7.9323 117.1335 56.5041 42.1599 178.3156 *10 Q 4.3103 7.9110 116.9793 56.0851 30.8938 177.3822 11 Q 3.9151 7.9901 116.6273 58.8477 28.5676 178.7779 12 L 3.6415 7.8393 121.4501 58.1904 42.0157 179.1174 13 F 4.0361 7.3611 116.9749 60.3193 38.6532 177.4038 14 L 3.9761 7.5886 117.5247 57.7509 41.5321 179.2547 15 K 4.0505 7.7348 118.0788 59.4877 32.2929 178.5284 16 L 4.1487 8.0574 117.4990 54.7162 42.2864 176.8444 17 G 3.9313 7.7973 106.8496 46.6614 0.0000 173.5611 18 L 4.7833 7.6443 116.8449 52.3194 44.1831 176.9254 19 N 4.5193 8.7110 120.5771 53.6827 39.0209 173.9291 20 H 5.2115 8.3727 117.3149 53.8013 32.2832 171.8505 21 Q 4.6288 8.6207 116.0630 54.2681 32.1151 174.4438 22 V 4.4842 7.8725 118.6772 61.2004 34.6100 174.8784 23 N 4.7782 8.2549 125.0240 51.3357 39.5346 175.2551 24 E 4.0387 8.5535 116.3606 59.0088 29.8395 177.4459 25 N 4.6920 9.0220 116.6616 52.2883 38.5966 174.8120 26 D 4.5931 7.4794 116.3602 55.3186 39.3745 173.6361 27 V 4.5530 7.2912 115.8327 61.9045 33.5498 173.9912 28 Y 4.9971 9.7515 126.3182 57.2053 39.7747 174.7537 29 T 5.3347 8.7853 120.8247 62.0986 72.1008 173.1853 30 F 5.1354 8.4997 118.4253 56.1655 41.8718 172.1099 31 E 5.1081 8.9897 119.6022 54.5242 32.6639 174.2482 32 V 4.4320 9.3644 127.4273 61.9754 33.6062 175.3573 33 D 4.3156 9.7661 126.6881 55.1632 38.5124 173.7815 34 G 4.1699 8.5206 103.1385 44.3705 0.0000 174.1932 35 H 4.7189 8.2934 114.3756 56.5206 30.3958 174.3424 36 I 3.9038 7.2367 121.8480 60.4169 38.2203 174.6646 37 Q 4.9097 8.6019 128.8180 54.5072 30.3861 174.4224 38 V 4.4566 7.5700 127.2037 61.1471 33.8668 174.1951 39 L 5.3859 9.4010 127.7782 53.1873 44.3741 175.3367 40 I 5.2285 9.3815 124.2237 59.6583 40.2715 174.6060 41 A 5.1372 9.4648 127.8449 50.3329 23.3999 173.8188 42 C 4.9654 7.9303 118.6869 57.7740 33.5446 172.5480 43 Y 4.3272 9.2439 124.4167 57.2061 39.9816 176.0020 44 H 4.3296 9.0801 118.4328 56.3197 26.3441 174.5321 45 Q 3.5840 8.1355 115.7004 56.8006 26.5220 175.1781 46 Q 4.3249 8.0471 114.1165 55.6313 34.9511 174.7083 47 W 5.0825 8.7579 119.7974 54.7103 32.0943 175.2438 48 V 4.5665 9.1075 126.1426 62.2133 32.7790 174.3613 49 Q 5.2738 9.5506 129.2396 54.5151 31.9332 173.8342 50 L 4.9675 9.3149 127.1127 53.5095 43.9539 175.5456 51 F 5.5567 9.2392 124.2608 57.2970 43.5703 172.9644 52 S 4.6158 8.0973 118.8134 56.8148 66.2182 172.9694 53 E 4.2859 8.4443 126.7947 56.4779 29.3335 176.9481 54 L 4.0076 9.0519 124.1377 55.2561 42.7340 178.8130 55 G 3.8244 9.9960 106.5096 45.2144 0.0000 172.3052 56 A 4.4096 7.3559 121.1003 51.6194 22.1258 175.2142 57 D 4.8873 8.3449 118.3583 53.1206 40.0615 176.6038 58 L 4.4380 7.9102 124.3985 52.5075 42.9424 175.6288 59 P 4.3719 0.0000 0.0000 62.5996 31.8994 176.2748 60 T 3.8866 8.2520 117.2621 63.9486 69.1273 172.7168 61 N 4.9082 8.2880 121.3079 51.6264 41.4378 174.2378 62 D 4.3328 8.9802 125.6763 55.7792 41.4862 176.1146 63 N 4.1415 8.1271 115.2915 54.1734 36.3376 173.9762 64 L 4.5717 7.3822 116.1536 52.8747 43.8861 177.2678 65 F 4.2687 8.3036 117.0940 56.1310 39.0286 174.3945 66 G 4.0041 7.8618 107.6493 45.7327 0.0000 174.7304 67 E 3.9923 7.7082 119.1391 58.1942 29.7223 175.9014 68 H 4.9174 7.4598 113.5895 53.4590 32.3728 172.4866 69 W 4.7698 8.5447 120.6833 54.1992 30.9453 174.0292 70 P 4.6122 0.0000 0.0000 61.5565 31.8572 175.8781 71 A 4.1441 8.0512 120.8836 52.0415 18.8281 176.3402 72 H 5.1368 8.4060 116.5416 54.0363 31.1182 174.0070 73 V 4.0929 8.0277 123.6295 60.8178 33.8183 173.9285 74 Q 4.7714 9.1177 129.8699 54.6686 30.2097 174.6632 75 G 4.4511 8.8568 113.6065 44.3837 0.0000 171.2038 76 R 5.0552 8.5114 118.9048 54.4384 32.9747 174.3876 77 L 4.5537 8.7098 128.3108 54.1006 43.9239 175.6340 78 D 4.5917 9.7052 127.0927 55.6317 38.1759 175.0385 79 G 3.9483 8.6321 104.0933 45.5760 0.0000 173.8694 80 K 4.6230 7.6242 118.7233 54.0939 34.7057 175.9429 81 S 4.9661 8.1567 118.5949 58.6448 64.2521 173.2863 82 I 4.9783 8.6247 115.5082 59.2456 41.6819 173.4796 83 L 5.3642 8.8262 124.5050 53.1731 45.3637 175.0714 84 W 5.9996 8.5570 120.8023 55.9010 32.4437 173.2459 85 S 5.3377 9.0330 112.7725 57.6485 65.6606 173.3703 86 Q 5.8020 9.1050 123.0981 55.2213 31.9546 173.5204 87 Q 4.9468 9.2066 117.7434 54.9563 32.4762 173.4685 88 S 3.8479 8.4035 114.2748 58.6312 62.7136 174.4941 89 L 4.1665 8.5726 123.9005 57.5099 42.5179 177.7382 90 V 3.5061 7.7822 118.6103 64.1140 32.5499 176.0979 91 G 3.8259 8.1896 113.9817 46.7434 0.0000 173.1564 92 L 4.5129 7.4634 118.9074 53.3157 44.1847 175.1192 93 D 4.8651 8.3374 125.4237 51.0197 41.8775 175.8484 94 I 3.7180 8.4138 118.7921 64.5466 38.0524 176.6412 95 D 4.4738 8.2599 119.3431 57.5571 41.0433 180.4714 96 E 4.2746 8.3433 120.4847 56.0639 29.2147 178.7230 *98 Q 4.0787 8.3753 118.4989 55.6552 30.9666 176.5849 99 A 4.0818 8.1854 119.5656 54.9686 18.2286 179.4437 100 W 4.3226 8.8846 127.1053 60.6702 30.7906 177.8180 101 L 3.7161 8.0026 119.7966 58.3790 41.4285 178.6905 102 E 4.0352 8.4743 118.3934 59.4051 29.3513 179.5929 103 R 4.0577 8.3892 118.4358 59.1033 30.1222 178.8323 104 F 3.9565 8.5414 120.5074 61.3362 39.4399 176.8481 105 I 3.6499 8.1295 119.6643 64.9036 37.0891 177.8051 106 D 4.4790 8.2714 119.2943 57.6698 40.5575 178.8944 107 D 4.2437 8.0372 118.1719 57.2785 41.3147 178.0090 108 I 3.5294 7.4650 120.4101 64.6612 36.9096 177.9539 109 E 3.9411 8.2806 117.8903 59.5990 29.5984 179.2175 110 Q 4.0659 7.9944 119.0733 59.3427 29.0012 178.3458 111 R 3.9056 8.3518 118.4714 59.1741 30.1471 179.0100 112 K 3.9901 7.6933 117.0460 57.7260 32.0565 176.9532 113 E 4.2390 7.8596 123.1048 56.4497 29.8912 174.3573 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 G 8.16 4.08 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 0.00 0.00 0.00 2 Q 7.56 3.95 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.73 0.00 3 T 8.76 4.10 4.27 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 1.24 0.00 0.00 4 T 7.90 3.88 4.45 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 1.23 0.00 0.00 5 F 8.23 4.17 0.00 3.05 3.37 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 6 T 8.16 3.84 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 1.30 0.00 0.00 7 E 8.52 4.11 0.00 2.02 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 2.32 2.39 0.00 8 L 7.93 3.71 0.00 1.76 1.63 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *10 Q 7.91 4.31 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 11 Q 7.99 3.92 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 12 L 7.84 3.64 0.00 1.45 0.87 0.66 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.36 4.04 0.00 2.96 2.96 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 14 L 7.59 3.98 0.00 1.77 1.72 0.92 0.87 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 15 K 7.73 4.05 0.00 1.87 1.74 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 16 L 8.06 4.15 0.00 1.58 1.63 0.64 1.19 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 17 G 7.80 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 0.00 0.00 0.00 18 L 7.64 4.78 0.00 1.83 1.69 0.79 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.71 4.52 0.00 2.74 2.76 0.00 0.00 6.75 8.16 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 20 H 8.37 5.21 0.00 2.57 1.91 0.00 5.46 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.62 4.63 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.80 0.00 0.00 0.00 0.00 0.00 2.18 2.36 0.00 22 V 7.87 4.48 1.78 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 -0.02 0.00 0.00 0.52 0.00 0.00 23 N 8.25 4.78 0.00 2.96 2.90 0.00 0.00 6.74 7.64 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 24 E 8.55 4.04 0.00 1.93 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 2.28 2.35 0.00 25 N 9.02 4.69 0.00 2.81 2.72 0.00 0.00 6.92 8.09 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 26 D 7.48 4.59 0.00 2.87 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 27 V 7.29 4.55 2.17 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 1.01 0.00 0.00 0.93 0.00 0.00 28 Y 9.75 5.00 0.00 3.25 3.16 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 0.00 0.00 0.00 29 T 8.79 5.33 4.26 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 1.22 0.00 0.00 30 F 8.50 5.14 0.00 3.24 3.06 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 0.00 0.00 0.00 31 E 8.99 5.11 0.00 2.07 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 2.20 2.32 0.00 32 V 9.36 4.43 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 0.98 0.00 0.00 1.24 0.00 0.00 33 D 9.77 4.32 0.00 2.91 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 34 G 8.52 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 0.00 0.00 0.00 0.00 35 H 8.29 4.72 0.00 3.22 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.24 3.90 1.74 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 1.10 0.46 0.80 0.00 0.00 37 Q 8.60 4.91 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 38 V 7.57 4.46 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 0.00 0.00 1.05 0.00 0.00 0.93 0.00 0.00 39 L 9.40 5.39 0.00 2.10 1.71 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 I 9.38 5.23 2.23 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.16 1.12 0.00 0.00 41 A 9.46 5.14 1.15 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 42 C 7.93 4.97 0.00 1.23 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 0.00 0.00 0.00 43 Y 9.24 4.33 0.00 2.96 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 44 H 9.08 4.33 0.00 3.61 3.53 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.14 3.58 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.66 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 46 Q 8.05 4.32 0.00 1.92 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.66 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.55 0.00 47 W 8.76 5.08 0.00 3.49 3.18 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 48 V 9.11 4.57 2.58 0.00 0.00 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 0.00 0.00 1.21 0.00 0.00 49 Q 9.55 5.27 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.18 2.48 0.00 50 L 9.31 4.97 0.00 1.25 0.16 0.10 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.24 5.56 0.00 3.15 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 52 S 8.10 4.62 0.00 3.94 3.39 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 53 E 8.44 4.29 0.00 1.88 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 2.36 2.44 0.00 54 L 9.05 4.01 0.00 1.63 1.62 0.81 1.12 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 55 G 10.00 3.82 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 0.00 0.00 0.00 56 A 7.36 4.41 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 57 D 8.34 4.89 0.00 2.66 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 58 L 7.91 4.44 0.00 1.53 1.55 0.90 1.00 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 59 P 0.00 4.37 0.00 2.15 2.04 0.00 3.78 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 1.96 1.97 0.00 60 T 8.25 3.89 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 61 N 8.29 4.91 0.00 2.68 2.59 0.00 0.00 7.03 8.47 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 62 D 8.98 4.33 0.00 2.65 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 63 N 8.13 4.14 0.00 2.90 2.84 0.00 0.00 6.91 7.49 0.00 0.00 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 L 7.38 4.57 0.00 1.45 1.25 0.73 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.30 4.27 0.00 2.80 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 66 G 7.86 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 67 E 7.71 3.99 0.00 1.79 1.80 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 1.76 2.13 0.00 68 H 7.46 4.92 0.00 3.12 3.08 0.00 5.80 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 W 8.54 4.77 0.00 3.26 3.14 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 70 P 0.00 4.61 0.00 2.25 2.03 0.00 3.48 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.19 0.00 71 A 8.05 4.14 1.09 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 0.00 0.00 0.00 72 H 8.41 5.14 0.00 2.88 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.03 4.09 0.67 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 0.70 0.00 0.00 0.20 0.00 0.00 74 Q 9.12 4.77 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.45 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 75 G 8.86 4.45 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 0.00 76 R 8.51 5.06 0.00 1.80 1.83 0.00 3.39 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 77 L 8.71 4.55 0.00 1.82 1.59 0.96 1.11 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 78 D 9.71 4.59 0.00 2.90 2.76 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 0.00 0.00 0.00 79 G 8.63 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 0.00 0.00 0.00 80 K 7.62 4.62 0.00 2.05 1.71 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.39 7.81 81 S 8.16 4.97 0.00 3.81 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 82 I 8.62 4.98 1.68 0.00 0.00 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 1.29 1.04 0.97 0.00 0.00 83 L 8.83 5.36 0.00 1.48 1.18 0.79 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 84 W 8.56 6.00 0.00 3.66 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 85 S 9.03 5.34 0.00 4.23 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 86 Q 9.10 5.80 0.00 2.39 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.50 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 87 Q 9.21 4.95 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.93 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 88 S 8.40 3.85 0.00 3.46 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 89 L 8.57 4.17 0.00 1.61 1.71 1.09 1.08 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 90 V 7.78 3.51 1.94 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 0.77 0.00 0.00 0.83 0.00 0.00 91 G 8.19 3.83 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 0.00 0.00 0.00 92 L 7.46 4.51 0.00 1.53 1.67 1.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.34 4.87 0.00 2.78 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 94 I 8.41 3.72 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.88 0.00 0.00 95 D 8.26 4.47 0.00 2.92 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 96 E 8.34 4.27 0.00 2.09 1.94 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 2.28 2.35 0.00 *98 Q 8.38 4.08 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 99 A 8.19 4.08 1.46 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 0.00 0.00 0.00 100 W 8.88 4.32 0.00 3.59 3.34 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 0.00 101 L 8.00 3.72 0.00 1.63 1.74 1.06 0.73 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 0.00 102 E 8.47 4.04 0.00 2.24 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 2.36 2.49 0.00 103 R 8.39 4.06 0.00 2.32 2.25 0.00 3.35 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.08 0.00 104 F 8.54 3.96 0.00 2.93 3.09 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 0.00 105 I 8.13 3.65 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.61 0.96 0.00 0.00 106 D 8.27 4.48 0.00 3.04 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 0.00 107 D 8.04 4.24 0.00 2.94 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 0.00 108 I 7.46 3.53 1.82 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.14 0.75 0.00 0.00 109 E 8.28 3.94 0.00 2.10 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 2.39 2.33 0.00 110 Q 7.99 4.07 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 111 R 8.35 3.91 0.00 1.76 1.89 0.00 3.09 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 112 K 7.69 3.99 0.00 1.73 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.62 7.81 113 E 7.86 4.24 0.00 2.08 2.18 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 2.17 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.