NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6910 8.3544 109.7393 45.3096 0.0000 174.9646 *2 S 4.1766 8.5969 116.0660 57.9208 64.3446 172.6577 3 T 3.8795 8.4298 120.6119 64.6021 68.7029 176.3571 4 A 3.9423 7.9829 123.0671 54.9569 18.4457 179.2950 5 A 4.1706 7.9619 119.0502 55.4412 18.4957 179.7278 6 E 3.6585 8.2101 117.1699 59.3841 29.4725 179.4895 7 S 4.0109 8.2770 113.4850 61.4494 62.4068 176.1382 8 E 3.9231 8.0543 121.1716 59.4382 29.0975 179.4267 9 I 3.2047 7.6262 120.1806 64.1569 37.0389 178.6501 10 R 3.7772 7.8615 118.8975 59.3633 29.8650 179.1886 11 Q 3.9723 7.9726 117.8013 58.6146 28.7021 178.3082 12 L 3.9827 7.9855 121.4818 58.4173 41.8969 179.1256 13 I 3.8663 7.7092 118.3629 64.4480 37.0754 177.8904 14 E 4.1235 7.9801 118.1827 59.7166 29.6321 179.4876 15 R 4.1552 8.1110 117.9846 58.6170 30.0656 178.9298 16 W 4.2736 8.2419 125.8807 58.0212 30.5467 177.3209 *18 Q 4.1224 8.0947 120.0674 55.4888 30.4338 176.8890 19 A 3.7773 7.8097 119.5594 54.9288 18.2162 179.6985 20 V 2.8333 6.9689 116.4752 66.0902 31.2518 178.5354 21 R 3.8184 7.4956 115.6565 59.1416 30.0673 177.9241 22 D 4.4529 8.1895 115.9247 53.8687 41.0389 176.2560 23 R 3.5717 7.4786 117.6074 57.1121 28.4093 177.4745 24 D 4.5214 7.6231 118.1604 52.4414 40.0651 174.9907 25 I 3.3713 7.7582 126.0939 63.5941 37.3854 175.7098 26 P 4.2751 0.0000 0.0000 65.4621 30.9106 178.9134 27 G 3.4897 7.7810 103.4477 47.4894 0.0000 175.5806 28 I 3.2017 7.2978 121.8432 63.6204 37.2519 177.8202 29 I 3.2006 7.2922 111.9542 61.1832 37.7310 177.3879 30 A 3.9229 7.3685 123.7778 54.8344 18.3094 176.5738 31 P 4.7094 0.0000 0.0000 63.2942 32.0406 175.1639 32 Y 4.8605 8.0469 118.3941 57.5428 38.7916 175.5469 33 A 4.4253 8.9278 127.8877 52.0747 19.3229 178.2184 34 D 4.5052 8.9107 120.3325 56.9573 41.0602 177.9411 35 D 5.0159 7.8592 116.3457 52.6793 40.0217 175.8165 36 I 3.7507 7.3870 119.7797 62.6849 39.1623 174.4117 37 V 4.7303 8.4210 128.3499 60.9879 33.8256 173.9355 38 A 4.7332 8.6129 129.4052 49.9876 22.1058 174.6677 39 F 5.1545 8.8675 122.3134 56.1196 40.1044 175.5540 40 D 5.1747 8.9218 123.2453 52.9595 42.3113 176.2804 41 A 4.5895 8.9162 124.0804 53.2956 18.7483 177.5352 42 I 4.6847 7.2569 107.4826 60.1748 40.9022 174.2977 43 Q 4.2767 9.5069 125.2416 55.9931 28.4615 173.2570 44 A 4.6648 7.3439 116.2562 49.8581 22.4422 175.5192 45 L 3.9686 8.3957 121.8549 57.9118 42.3249 176.9205 46 Q 4.9289 7.0600 112.5361 55.3908 31.5158 173.4063 47 F 4.8096 9.1171 118.5078 55.5527 42.4703 174.3641 48 K 4.6659 9.2093 122.5882 55.9554 34.4499 176.9664 49 G 4.0658 9.3542 112.0248 45.6094 0.0000 174.2242 50 K 4.1947 9.0198 122.2282 59.1956 32.1341 179.5985 51 S 4.1251 8.1469 112.8846 61.3907 62.6439 175.6862 52 A 4.1401 8.1519 123.0101 55.6123 18.1036 178.8532 53 Y 4.2931 8.3119 117.8254 60.9699 38.7579 178.0210 54 T 3.9727 8.6809 117.2311 66.6156 68.3432 176.3790 55 A 4.1742 7.9410 121.6758 55.2878 18.4415 178.9669 56 H 4.1149 7.8570 115.6096 59.2034 29.9840 177.0995 57 W 4.1147 7.8975 119.6471 59.7025 28.8642 178.9700 58 E 4.1367 8.1211 114.4051 57.1807 28.6758 177.2949 *60 C 4.1886 7.8932 114.5507 59.7094 29.7331 174.5877 *62 G 3.5025 7.8731 106.8059 45.3409 0.0000 174.4754 *64 C 4.1323 8.0725 116.1774 58.3491 29.9106 174.3987 65 T 4.0193 8.1067 117.0803 61.1034 68.9082 172.1274 66 G 3.9100 8.5526 108.3259 44.2488 0.0000 170.4168 67 P 4.5040 0.0000 0.0000 61.9199 34.5622 174.6976 *69 V 4.0515 8.1611 117.7229 63.5394 32.8964 175.5587 70 F 5.1007 8.7015 129.6337 57.5286 40.6140 172.2916 71 E 5.0448 9.1787 122.9139 54.2324 33.6420 174.0664 72 L 5.6544 8.5040 119.1376 54.1757 43.8653 175.3413 73 A 4.6853 9.0141 120.5469 50.6348 23.0397 175.8905 74 Q 3.4910 8.6407 116.1452 56.8758 26.1450 174.5789 75 L 4.4668 7.9056 119.0091 55.5836 43.2709 176.4886 76 T 4.6290 9.0157 123.1486 61.6483 71.7064 173.2422 77 V 4.8115 8.1801 124.8595 61.4137 34.5101 174.1382 78 H 5.3303 9.3505 124.2326 54.0761 32.5466 172.6819 79 A 4.9271 9.0361 124.3249 50.6701 22.5071 175.7954 80 A 4.5815 9.0703 125.1409 51.6778 23.3927 177.5004 81 G 3.9928 8.9670 114.1110 47.4283 0.0000 173.8062 82 D 4.5472 9.1323 124.7364 53.4593 41.7793 174.7369 83 L 5.6478 8.1911 121.5415 53.4454 45.5180 175.0535 84 A 5.2591 9.2979 125.2727 50.4561 23.3371 174.6058 85 L 5.3790 9.1984 120.7290 53.3972 45.8652 175.2987 86 A 5.4981 9.5379 126.7904 50.7703 23.1243 174.4073 87 H 5.2244 9.0178 114.2893 54.3131 32.5949 172.2556 88 W 5.3589 8.5763 115.6669 56.1161 31.9647 172.7041 89 L 5.0872 9.1291 121.2198 53.3251 43.3737 175.3985 90 N 5.5541 8.9726 121.3261 51.7903 41.8915 172.9307 91 R 4.1430 8.7682 128.5445 56.0551 31.3316 175.0282 92 C 5.5991 8.6474 120.3326 56.4992 33.7896 173.8701 93 G 4.2539 8.5971 107.3825 43.4042 0.0000 170.1904 94 P 4.3811 0.0000 0.0000 62.7949 31.1403 177.6883 95 G 3.6458 8.7546 115.8417 48.8338 0.0000 175.0694 96 D 4.3688 8.1900 118.3079 55.2599 40.2768 180.2389 97 D 4.8303 7.7460 120.3310 52.0851 42.4209 175.9960 98 E 4.1643 8.8010 129.1765 58.9093 29.8604 179.9536 99 S 4.1834 8.4393 117.0000 60.7623 62.4931 180.9690 100 Q 4.5364 7.8856 115.3190 55.2955 28.2229 180.5596 101 C 5.3978 7.1935 117.2585 58.5004 29.2914 173.0845 102 G 4.5187 8.1810 110.8263 43.2850 0.0000 169.9165 103 F 5.3079 8.5698 118.6264 55.6330 41.0996 175.7860 *105 R 4.3445 8.2496 117.0218 56.3255 31.7909 174.8985 106 A 4.2047 8.1868 122.7815 50.0811 22.3710 175.1520 107 T 4.6350 8.0575 118.2068 61.5069 72.6663 173.3593 108 V 4.4374 8.9292 125.1142 60.9334 35.2725 174.0866 109 G 4.4561 8.6953 114.6328 44.6742 0.0000 171.7912 110 Y 5.5397 9.2497 120.5620 56.1182 42.6107 174.5077 111 R 5.3354 9.4213 121.6235 54.8399 34.1058 173.8005 112 R 4.2040 8.5954 127.6644 55.1531 30.7102 175.6751 113 Q 4.3855 9.3333 124.4399 55.9197 31.6508 174.8719 114 G 3.7206 9.3156 108.8577 46.6808 0.0000 174.0112 115 G 3.8978 8.4479 104.6833 45.5491 0.0000 173.9261 116 Q 4.6538 7.5243 116.3059 53.6356 32.4344 174.2370 117 W 4.8483 8.8338 120.7277 56.7605 30.0157 175.7455 118 Q 5.0919 9.3476 123.0277 53.9256 32.6501 174.8471 119 V 4.2122 9.1256 123.4563 62.9819 32.2072 176.2904 120 I 4.2660 8.6792 121.3979 61.6001 39.6653 174.7678 121 H 5.6109 7.3470 121.1980 55.9134 33.2426 171.9349 122 E 4.8162 8.0133 122.8865 54.8315 34.3123 174.1832 123 H 5.3324 8.5901 122.0783 54.7568 33.1588 171.9142 124 W 5.3657 9.5008 126.5844 55.1730 32.2192 174.9698 125 S 4.7711 8.8939 116.5107 57.8270 65.6948 173.8990 126 A 4.9873 8.5457 122.3054 49.3145 21.3311 174.8203 127 P 4.5307 0.0000 0.0000 62.6107 32.9915 175.1693 128 F 5.3053 7.8174 114.8298 54.9463 41.4784 174.4495 129 D 4.6011 8.9010 124.3124 54.3652 42.5535 176.6304 *131 E 4.3281 8.7995 111.4995 56.4567 31.7295 173.6125 132 T 4.1445 8.7660 107.9530 62.0589 69.2306 174.6170 133 Q 3.5197 8.0000 119.8085 56.5448 27.2543 173.3696 134 K 4.6839 7.5786 115.4422 54.6445 34.4184 176.1778 135 A 4.4010 8.5776 125.3149 52.1201 19.1773 176.8239 136 L 4.4114 8.6246 122.6955 53.5188 42.3821 176.7434 137 F 4.8857 8.9652 122.0832 57.4898 40.5602 176.4936 138 D 5.1452 8.1075 119.0558 52.9172 39.5551 176.2439 139 L 4.3254 7.9679 121.4176 55.3304 42.5817 177.2363 140 K 4.4554 8.2126 122.9511 52.5487 33.1974 175.0979 141 P 4.2490 0.0000 0.0000 63.0421 31.1329 176.5262 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 0 G 8.35 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 4.18 0.00 3.99 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 3 T 8.43 3.88 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 1.21 0.00 0.00 4 A 7.98 3.94 1.37 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 0.00 0.00 5 A 7.96 4.17 1.48 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 6 E 8.21 3.66 0.00 1.95 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 2.20 2.31 0.00 7 S 8.28 4.01 0.00 3.89 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 8 E 8.05 3.92 0.00 2.10 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 2.38 2.57 0.00 9 I 7.63 3.20 1.36 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 -0.04 0.11 0.00 0.00 10 R 7.86 3.78 0.00 1.91 1.89 0.00 3.05 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 11 Q 7.97 3.97 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 12 L 7.99 3.98 0.00 1.81 1.81 1.06 1.16 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 13 I 7.71 3.87 1.85 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 1.60 0.75 0.45 0.00 0.00 14 E 7.98 4.12 0.00 2.10 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 2.31 2.56 0.00 15 R 8.11 4.16 0.00 1.91 2.00 0.00 3.29 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 16 W 8.24 4.27 0.00 3.61 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 *18 Q 8.09 4.12 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 19 A 7.81 3.78 1.03 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 0.00 0.00 20 V 6.97 2.83 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 -0.31 0.00 0.00 -0.52 0.00 0.00 21 R 7.50 3.82 0.00 1.89 1.93 0.00 3.29 0.00 0.00 3.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 22 D 8.19 4.45 0.00 2.46 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 23 R 7.48 3.57 0.00 1.83 1.89 0.00 3.08 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 24 D 7.62 4.52 0.00 2.63 2.49 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 0.00 0.00 0.00 0.00 25 I 7.76 3.37 1.76 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 1.51 0.64 0.81 0.00 0.00 26 P 0.00 4.28 0.00 2.07 2.03 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 27 G 7.78 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.30 3.20 1.28 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.07 -0.61 0.00 0.00 29 I 7.29 3.20 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 1.49 0.84 0.78 0.00 0.00 30 A 7.37 3.92 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 31 P 0.00 4.71 0.00 2.45 2.45 0.00 3.63 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 2.16 2.20 0.00 32 Y 8.05 4.86 0.00 3.20 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 33 A 8.93 4.43 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 34 D 8.91 4.51 0.00 2.76 2.79 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 35 D 7.86 5.02 0.00 2.77 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 36 I 7.39 3.75 1.90 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.27 0.93 0.00 0.00 37 V 8.42 4.73 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 0.72 0.00 0.00 0.93 0.00 0.00 38 A 8.61 4.73 0.27 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 39 F 8.87 5.15 0.00 2.75 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 40 D 8.92 5.17 0.00 2.96 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 41 A 8.92 4.59 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.26 4.68 1.94 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 1.47 0.90 0.99 0.00 0.00 43 Q 9.51 4.28 0.00 2.33 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 44 A 7.34 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.40 3.97 0.00 1.46 1.55 0.79 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.06 4.93 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.45 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 47 F 9.12 4.81 0.00 2.86 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 48 K 9.21 4.67 0.00 1.63 1.73 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.41 7.81 49 G 9.35 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 0.00 0.00 0.00 0.00 50 K 9.02 4.19 0.00 2.19 1.94 0.00 2.00 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.59 1.72 7.81 51 S 8.15 4.13 0.00 4.00 3.92 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 52 A 8.15 4.14 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.31 4.29 0.00 3.22 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 54 T 8.68 3.97 4.53 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 0.00 0.00 1.25 0.00 0.00 55 A 7.94 4.17 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 56 H 7.86 4.11 0.00 2.44 2.96 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 7.90 4.11 0.00 3.31 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 58 E 8.12 4.14 0.00 2.10 1.98 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 2.34 2.49 0.00 *60 C 7.89 4.19 0.00 2.85 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 *62 G 7.87 3.50 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 0.00 *64 C 8.07 4.13 0.00 3.08 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 65 T 8.11 4.02 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 1.21 0.00 0.00 66 G 8.55 3.91 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 0.00 0.00 0.00 67 P 0.00 4.50 0.00 2.12 2.22 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 *69 V 8.16 4.05 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 1.01 0.00 0.00 0.93 0.00 0.00 70 F 8.70 5.10 0.00 3.03 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 71 E 9.18 5.04 0.00 2.08 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 2.18 2.29 0.00 72 L 8.50 5.65 0.00 1.82 1.61 0.82 -0.63 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 73 A 9.01 4.69 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 74 Q 8.64 3.49 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 75 L 7.91 4.47 0.00 1.59 1.55 1.01 0.81 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 76 T 9.02 4.63 3.80 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 1.03 0.00 0.00 77 V 8.18 4.81 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 0.63 0.00 0.00 0.86 0.00 0.00 78 H 9.35 5.33 0.00 3.06 3.09 0.00 5.64 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 79 A 9.04 4.93 0.95 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 80 A 9.07 4.58 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 81 G 8.97 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 82 D 9.13 4.55 0.00 2.69 2.57 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 0.00 0.00 0.00 0.00 83 L 8.19 5.65 0.00 1.88 1.58 1.09 0.81 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 84 A 9.30 5.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 9.20 5.38 0.00 1.77 1.54 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 86 A 9.54 5.50 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 0.00 0.00 0.00 0.00 0.00 87 H 9.02 5.22 0.00 3.18 3.23 0.00 5.50 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 W 8.58 5.36 0.00 3.51 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 L 9.13 5.09 0.00 1.74 1.78 0.75 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.97 5.55 0.00 3.22 2.97 0.00 0.00 6.86 7.65 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 91 R 8.77 4.14 0.00 1.27 1.56 0.00 2.78 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 0.00 92 C 8.65 5.60 0.00 3.07 3.05 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 93 G 8.60 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 0.00 0.00 0.00 0.00 94 P 0.00 4.38 0.00 2.21 2.20 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 95 G 8.75 3.65 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 0.00 0.00 0.00 96 D 8.19 4.37 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 97 D 7.75 4.83 0.00 2.71 2.52 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 98 E 8.80 4.16 0.00 2.04 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 2.40 2.25 0.00 99 S 8.44 4.18 0.00 3.63 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 0.00 100 Q 7.89 4.54 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 101 C 7.19 5.40 0.00 2.93 2.84 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 0.00 0.00 0.00 0.00 102 G 8.18 4.52 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 0.00 0.00 0.00 103 F 8.57 5.31 0.00 3.05 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 R 8.25 4.34 0.00 1.78 1.76 0.00 3.12 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 106 A 8.19 4.20 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.06 4.64 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 1.15 0.00 0.00 108 V 8.93 4.44 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 0.17 0.00 0.00 0.47 0.00 0.00 109 G 8.70 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 0.00 0.00 0.00 0.00 110 Y 9.25 5.54 0.00 2.98 3.10 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 0.00 111 R 9.42 5.34 0.00 1.91 1.78 0.00 3.11 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 1.56 1.73 0.00 112 R 8.60 4.20 0.00 0.67 1.28 0.00 2.98 0.00 0.00 2.86 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 113 Q 9.33 4.39 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.99 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 114 G 9.32 3.72 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 0.00 0.00 0.00 115 G 8.45 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.52 4.65 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 117 W 8.83 4.85 0.00 3.26 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 0.00 118 Q 9.35 5.09 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 119 V 9.13 4.21 2.28 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 0.86 0.00 0.00 1.08 0.00 0.00 120 I 8.68 4.27 1.85 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 1.14 0.62 0.95 0.00 0.00 121 H 7.35 5.61 0.00 3.03 2.94 0.00 5.85 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 0.00 122 E 8.01 4.82 0.00 1.85 1.84 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 0.00 2.15 2.12 0.00 123 H 8.59 5.33 0.00 2.99 2.89 0.00 5.52 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 W 9.50 5.37 0.00 3.46 3.19 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 0.00 0.00 0.00 0.00 125 S 8.89 4.77 0.00 3.95 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 0.00 126 A 8.55 4.99 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 0.00 127 P 0.00 4.53 0.00 1.99 2.08 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 128 F 7.82 5.31 0.00 3.20 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 0.00 129 D 8.90 4.60 0.00 2.79 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 *131 E 8.80 4.33 0.00 2.05 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 0.00 2.13 1.88 0.00 132 T 8.77 4.14 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 1.31 0.00 0.00 133 Q 8.00 3.52 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 134 K 7.58 4.68 0.00 1.71 1.76 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.57 7.81 135 A 8.58 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.62 4.41 0.00 1.38 1.58 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 137 F 8.97 4.89 0.00 3.14 3.05 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 0.00 138 D 8.11 5.15 0.00 2.85 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 0.00 139 L 7.97 4.33 0.00 1.71 1.64 0.89 0.89 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 0.00 140 K 8.21 4.46 0.00 1.77 1.58 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.02 7.81 141 P 0.00 4.25 0.00 1.82 1.71 0.00 3.41 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 0.00 * Residues marked with a * may have inaccurate shift predictions.