NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 4.1818 8.3016 107.8291 46.4393 0.0000 172.3593 6 S 4.3490 8.5284 114.5073 57.2428 63.8746 172.7132 7 Q 5.2029 8.8527 125.5276 54.1107 31.9458 174.4755 8 F 4.7865 8.9753 120.5145 55.3251 43.3145 174.2047 9 W 5.0099 8.9779 122.7878 56.8740 29.8222 176.1205 10 V 4.8733 10.1631 117.9457 60.1389 36.2076 174.2349 11 T 5.3060 8.5765 119.3094 61.7761 70.8556 174.0121 12 S 4.5247 9.5827 122.6410 58.6189 63.1627 173.1130 13 Q 4.5947 8.1422 126.3080 53.6686 30.1733 175.7129 14 K 3.8064 8.6056 124.9763 57.2730 32.8589 176.1072 15 T 4.5054 8.2484 118.1334 59.2235 71.8628 173.6911 16 E 3.7663 8.6836 125.8616 59.5279 29.4879 179.0304 17 A 3.8397 7.6073 120.0013 55.2801 18.4241 179.5804 18 S 4.2292 7.5110 112.0441 61.4229 62.7986 176.2075 19 E 3.8382 8.0980 122.8911 59.1863 29.2612 178.5211 20 R 3.8957 7.8230 117.3600 59.8257 30.2422 177.6587 21 C 4.4882 8.4422 113.8592 60.0963 28.3514 174.6755 22 G 3.9977 8.1442 109.0585 45.5123 0.0000 173.8397 23 L 4.3618 8.3500 120.0548 54.7443 42.1223 176.6424 24 Q 4.5635 10.1935 121.1984 56.7894 33.2446 174.0372 25 G 3.8924 8.9654 110.8419 44.3735 0.0000 171.9071 26 S 5.4001 8.0123 115.9111 58.2581 64.7866 173.0929 27 Y 5.0302 9.6676 119.3384 57.6218 43.4884 173.2423 28 I 4.7803 8.8919 121.0389 59.5284 40.0628 174.7922 29 L 4.9234 9.1788 129.2407 53.3513 44.0850 174.7064 30 R 4.9044 9.1609 127.3925 54.5705 32.5985 174.6796 31 V 4.2958 8.6573 127.1125 62.1758 32.2940 174.9420 32 E 4.9961 8.9246 129.0012 54.4440 32.1441 176.9209 33 A 3.9207 8.6038 122.0783 55.0975 18.7250 178.5844 34 E 5.0786 7.4958 112.4507 55.9554 33.8527 174.5550 35 K 3.6104 6.8655 118.3053 56.3425 35.3401 173.3092 36 L 5.0533 8.0989 120.6498 53.5614 44.4353 176.0491 37 T 4.9843 8.8346 117.9778 61.7486 72.8307 172.6021 38 L 5.0502 9.2084 128.4529 53.6642 43.8537 174.8686 39 L 5.2310 9.2016 126.9869 53.3339 44.2800 175.7568 40 T 5.0601 8.8000 116.9713 60.1588 70.9028 172.3702 41 L 4.6589 8.4698 126.9348 53.7739 43.2891 176.4968 42 G 3.5831 10.4154 113.8996 45.8772 0.0000 173.3015 43 A 4.0701 9.1256 127.7145 56.1145 19.0054 179.0315 44 Q 4.1526 7.9775 114.3580 58.6985 29.5158 178.0792 45 S 4.1330 8.1256 110.7307 60.0775 62.8526 174.9981 46 Q 3.7731 8.1786 116.6724 56.4169 25.9044 172.8483 47 I 4.6653 7.6791 118.4613 59.1356 40.3763 175.2889 48 L 4.1344 8.4364 124.8022 55.1385 42.1746 176.4613 49 E 4.7189 10.0648 122.1808 53.7715 33.7958 173.1986 50 P 4.1866 0.0000 0.0000 63.6647 31.5512 175.3110 51 L 4.6544 8.8874 123.5338 56.3654 44.5896 176.5309 52 L 4.4369 7.3775 116.1964 53.0391 46.2113 174.7687 53 F 4.9251 7.2715 115.8399 54.7561 41.1474 174.1649 54 W 4.6994 9.1338 121.7347 54.2118 31.7627 173.3012 55 P 4.6341 0.0000 0.0000 62.1160 32.0613 177.3867 56 Y 4.3876 8.1370 120.8244 61.7216 37.8831 178.7172 57 T 4.2823 8.0823 105.9775 62.9679 69.0433 174.3281 58 L 4.8361 8.4421 122.6714 54.4985 42.4508 175.2307 59 L 5.2948 7.7187 118.4357 53.0346 43.8328 177.0582 60 R 4.3016 9.2438 123.6511 59.0093 30.8682 176.4931 61 R 4.5595 7.8382 113.2227 56.5792 32.1991 172.4175 62 Y 5.0121 7.4944 115.7610 56.8651 40.7010 173.5149 63 G 4.2609 8.5854 106.3119 46.8578 0.0000 172.1409 64 R 5.1381 8.2427 115.3126 55.3517 32.3628 172.9319 65 D 4.7215 8.1049 116.0711 52.5645 43.8916 175.1734 66 K 4.1175 8.6658 121.3470 58.5829 32.3898 178.7266 67 V 4.0590 7.6345 116.9211 62.9774 32.3471 174.5536 *69 F 4.9634 7.5997 121.0085 59.2574 40.8691 173.2487 70 S 5.0894 7.7102 117.7393 57.5674 66.3491 172.6527 71 F 5.2468 8.4123 118.2463 55.8671 41.8193 172.2714 72 E 5.1557 9.2450 120.5111 54.4331 31.9484 174.7658 73 A 4.9337 9.3090 129.6285 51.3840 20.6752 176.9865 74 G 4.2527 9.0582 108.6890 45.0952 0.0000 174.8969 75 R 4.0486 8.8960 116.8516 59.4528 29.0447 177.9766 76 R 4.1895 7.9151 114.3296 57.2144 30.5817 176.4791 77 C 4.3944 8.2877 117.4963 58.7108 28.7407 173.1140 78 P 4.0863 0.0000 0.0000 65.2046 30.9687 177.7978 79 S 4.2328 7.7686 111.1042 58.8123 63.6532 174.7979 80 G 4.0683 8.1386 106.8996 44.2251 0.0000 171.2106 81 P 5.2377 0.0000 0.0000 61.5012 32.2658 175.7650 82 G 4.1849 8.0271 105.9045 43.8601 0.0000 171.6768 83 T 4.5756 7.3939 116.9583 62.1843 69.9289 174.8204 84 F 4.2245 8.5340 124.4205 55.6730 42.0306 174.3879 85 T 4.8598 7.7358 119.2592 61.6019 72.4985 172.8880 86 F 5.3200 9.1703 123.6374 55.6633 42.7115 174.4608 87 Q 4.4331 9.3882 126.0451 56.4909 29.9306 174.5795 88 T 4.6926 8.5248 118.8246 61.3931 71.0247 172.7215 89 S 5.0915 8.7434 119.6004 57.6610 63.4937 174.3055 90 Q 4.6776 8.1181 117.2679 55.7999 29.9321 177.3731 91 G 4.0708 8.4962 107.9087 48.2810 0.0000 175.4706 92 N 4.3847 8.1809 118.6648 56.6748 39.0531 176.3830 93 D 4.3986 8.1663 119.7040 57.4507 40.8377 178.7781 94 I 2.8101 7.5766 120.3676 63.9570 36.9364 177.8638 95 F 4.1906 8.4042 121.7541 61.7018 39.2562 176.9376 96 Q 4.0234 8.9886 117.4442 59.2196 28.5716 178.7863 97 A 3.9484 8.1179 121.6157 55.4946 18.3475 179.9052 98 V 3.1178 7.6961 116.6283 66.4072 31.4042 177.2444 99 E 3.5965 7.9667 117.2026 59.6682 29.1449 178.9462 100 A 3.9999 8.1413 119.4807 55.6611 18.7672 179.1047 101 A 3.8898 7.8972 118.7293 55.9942 18.2210 180.0117 102 I 3.5408 7.8673 117.6926 64.1471 36.9864 178.5743 103 Q 3.9296 8.6657 121.6293 59.3437 28.6929 178.2855 104 Q 3.9787 8.1612 119.5757 59.6896 27.8985 176.9571 105 Q 3.9619 8.2082 119.0979 58.3468 28.3103 177.9947 106 K 4.1604 7.7612 126.8639 59.1374 33.4914 178.3116 107 A 4.3561 7.6223 125.3609 50.3616 17.5507 177.3735 108 Q 4.3867 7.0086 122.4308 58.1239 29.4880 173.3475 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 5 G 8.30 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 6 S 8.53 4.35 0.00 3.97 3.57 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 7 Q 8.85 5.20 0.00 1.63 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.48 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 8 F 8.98 4.79 0.00 2.91 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 9 W 8.98 5.01 0.00 3.27 3.11 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 0.00 10 V 10.16 4.87 2.38 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 0.90 0.00 0.00 0.93 0.00 0.00 11 T 8.58 5.31 4.40 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 1.33 0.00 0.00 12 S 9.58 4.52 0.00 4.18 4.06 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 13 Q 8.14 4.59 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 14 K 8.61 3.81 0.00 1.69 1.70 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.37 1.53 7.81 15 T 8.25 4.51 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 0.94 0.00 0.00 16 E 8.68 3.77 0.00 1.98 1.82 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 2.30 2.34 0.00 17 A 7.61 3.84 0.60 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 0.00 0.00 18 S 7.51 4.23 0.00 4.06 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 19 E 8.10 3.84 0.00 2.32 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 2.29 2.36 0.00 20 R 7.82 3.90 0.00 1.92 2.18 0.00 3.37 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 21 C 8.44 4.49 0.00 3.19 3.11 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 0.00 22 G 8.14 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 23 L 8.35 4.36 0.00 1.71 1.68 1.23 0.83 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 24 Q 10.19 4.56 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.25 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 25 G 8.97 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 26 S 8.01 5.40 0.00 3.68 3.85 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 27 Y 9.67 5.03 0.00 3.01 3.07 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 28 I 8.89 4.78 1.62 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.11 0.67 0.00 0.00 29 L 9.18 4.92 0.00 1.49 1.47 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 30 R 9.16 4.90 0.00 1.78 1.70 0.00 3.31 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 31 V 8.66 4.30 2.16 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 0.92 0.00 0.00 0.79 0.00 0.00 32 E 8.92 5.00 0.00 1.90 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 2.19 2.25 0.00 33 A 8.60 3.92 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 34 E 7.50 5.08 0.00 1.66 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 0.00 2.26 2.29 0.00 35 K 6.87 3.61 0.00 1.67 1.63 0.00 1.36 0.00 0.00 1.54 0.00 0.00 2.62 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.03 1.14 7.81 36 L 8.10 5.05 0.00 1.68 1.62 0.26 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.83 4.98 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 1.17 0.00 0.00 38 L 9.21 5.05 0.00 2.15 1.54 0.89 0.55 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 39 L 9.20 5.23 0.00 1.57 1.52 0.90 0.35 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 40 T 8.80 5.06 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 1.35 0.00 0.00 41 L 8.47 4.66 0.00 1.84 1.63 1.11 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 42 G 10.42 3.58 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 0.00 43 A 9.13 4.07 1.29 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 0.00 0.00 44 Q 7.98 4.15 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 45 S 8.13 4.13 0.00 3.98 4.02 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 46 Q 8.18 3.77 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 47 I 7.68 4.67 1.88 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 1.23 0.98 0.91 0.00 0.00 48 L 8.44 4.13 0.00 1.47 1.54 0.66 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 49 E 10.06 4.72 0.00 1.70 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 2.22 2.50 0.00 50 P 0.00 4.19 0.00 1.92 2.00 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 51 L 8.89 4.65 0.00 1.69 1.69 1.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.38 4.44 0.00 0.91 0.13 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.27 4.93 0.00 2.70 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 54 W 9.13 4.70 0.00 3.08 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 55 P 0.00 4.63 0.00 2.24 1.98 0.00 3.71 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 56 Y 8.14 4.39 0.00 3.09 2.90 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 57 T 8.08 4.28 4.30 0.00 0.00 0.00 0.00 0.00 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 58 L 8.44 4.84 0.00 1.93 1.76 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.72 5.29 0.00 2.01 1.78 1.09 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.24 4.30 0.00 1.76 2.04 0.00 3.31 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 61 R 7.84 4.56 0.00 1.73 1.98 0.00 2.95 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 62 Y 7.49 5.01 0.00 3.06 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 63 G 8.59 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 0.00 0.00 0.00 0.00 64 R 8.24 5.14 0.00 2.09 2.27 0.00 2.53 0.00 0.00 2.70 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.73 0.00 65 D 8.10 4.72 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.67 4.12 0.00 1.84 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.38 7.81 67 V 7.63 4.06 2.35 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 0.98 0.00 0.00 0.95 0.00 0.00 *69 F 7.60 4.96 0.00 3.32 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 70 S 7.71 5.09 0.00 3.76 3.45 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 71 F 8.41 5.25 0.00 3.38 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 72 E 9.24 5.16 0.00 2.06 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 2.22 2.18 0.00 73 A 9.31 4.93 1.74 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 74 G 9.06 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 75 R 8.90 4.05 0.00 1.94 2.15 0.00 3.14 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 76 R 7.92 4.19 0.00 1.88 2.06 0.00 3.24 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 77 C 8.29 4.39 0.00 3.30 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 78 P 0.00 4.09 0.00 1.38 1.73 0.00 3.26 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.68 0.00 79 S 7.77 4.23 0.00 4.31 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.14 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 81 P 0.00 5.24 0.00 2.21 2.21 0.00 3.19 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 82 G 8.03 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 83 T 7.39 4.58 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 0.97 0.00 0.00 84 F 8.53 4.22 0.00 1.51 2.15 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 85 T 7.74 4.86 4.02 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 1.14 0.00 0.00 86 F 9.17 5.32 0.00 3.05 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 87 Q 9.39 4.43 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 88 T 8.52 4.69 4.43 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 1.43 0.00 0.00 89 S 8.74 5.09 0.00 4.06 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 90 Q 8.12 4.68 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 91 G 8.50 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 92 N 8.18 4.38 0.00 2.81 2.88 0.00 0.00 7.17 8.49 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 93 D 8.17 4.40 0.00 2.96 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 94 I 7.58 2.81 1.18 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.34 0.00 0.00 95 F 8.40 4.19 0.00 3.54 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 96 Q 8.99 4.02 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.51 2.71 0.00 97 A 8.12 3.95 1.38 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 0.00 0.00 98 V 7.70 3.12 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 -0.26 0.00 0.00 0.60 0.00 0.00 99 E 7.97 3.60 0.00 2.05 1.83 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 2.11 2.40 0.00 100 A 8.14 4.00 1.29 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 0.00 0.00 101 A 7.90 3.89 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.87 3.54 1.79 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.20 0.84 0.00 0.00 103 Q 8.67 3.93 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 104 Q 8.16 3.98 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 105 Q 8.21 3.96 0.00 2.41 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 106 K 7.76 4.16 0.00 1.88 1.97 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.69 1.46 7.81 107 A 7.62 4.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.01 4.39 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.48 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.