NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.2290 8.3545 119.0717 55.4810 31.3193 176.3848 10 R 4.1020 7.7279 112.8418 55.7223 32.0606 175.2031 11 K 3.9181 8.2409 127.4347 54.5185 33.1761 172.2244 12 F 5.1712 7.4436 114.7884 54.9407 40.5182 176.2898 13 R 4.1200 8.8541 122.9068 57.4550 29.9791 178.5439 14 V 2.9848 7.7792 116.4832 62.1049 30.6015 172.8825 15 R 3.9531 8.6230 110.8388 56.9926 27.1736 176.9280 16 N 4.4097 7.3286 116.4417 55.7071 39.1480 176.8705 17 R 4.0456 7.3959 116.0627 56.4625 31.1607 177.0079 18 I 3.3093 8.3505 118.9414 62.7936 38.0354 174.7105 19 K 4.3252 10.7058 118.9260 56.6396 32.0750 176.9605 20 R 4.3126 7.7099 118.0798 54.3860 29.2265 175.6531 21 T 4.4169 8.9583 118.1752 63.2775 70.0761 174.1284 22 G 4.9043 9.5615 127.0700 45.2172 0.0000 168.4003 23 R 3.4166 8.5336 122.0685 56.7572 29.7081 173.7432 24 L 3.7039 8.1789 123.3218 54.9754 38.2501 173.0651 25 R 4.5935 8.4154 121.7873 54.9797 31.7467 176.1223 26 L 4.7222 8.5882 126.9780 53.5387 40.2073 175.3309 27 S 4.1703 8.3737 115.8748 58.6308 63.6308 173.7307 28 V 4.9399 8.1631 126.6793 61.3416 33.9581 174.4683 29 F 4.9002 8.7112 125.6202 56.9591 42.6352 173.5871 30 R 4.6418 9.2156 127.8130 54.9708 29.1496 175.1637 31 S 4.1487 8.1019 117.6646 56.7929 63.4493 175.0018 32 L 3.9500 8.5541 125.7728 57.3033 41.5717 178.4156 33 K 4.4650 7.9417 115.4625 57.0149 33.8181 174.8693 34 H 5.2873 7.3018 113.3008 54.7556 32.9735 172.0950 35 I 5.0131 8.1187 118.0868 61.7385 41.1019 174.4961 36 Y 5.2880 9.0050 126.2152 56.7123 41.9738 174.6857 37 A 5.0217 8.1519 118.7076 51.3356 23.1339 175.4945 38 Q 4.9305 9.1596 120.9626 54.6836 32.4906 175.1827 39 I 5.1029 9.3214 123.7310 59.5953 37.1296 174.2790 40 I 4.3940 7.9340 127.1479 60.8710 38.9019 174.2670 41 D 4.9129 9.2410 126.4222 52.1602 42.1289 175.6612 42 D 4.5708 8.3505 124.7259 54.8463 41.6503 175.9960 43 E 3.8455 8.5765 117.1425 57.3659 26.9629 174.4759 44 K 4.1731 8.4894 124.6627 55.3588 35.9655 174.4245 45 G 4.0332 8.2927 106.5435 46.4705 0.0000 173.2502 46 V 4.3485 7.4834 116.3316 60.9748 34.9189 173.8411 47 T 4.7366 8.3782 123.0175 62.4015 68.5557 174.6839 48 L 4.2959 8.6677 127.8480 56.9409 42.4432 177.9327 49 V 4.4061 7.6185 117.7094 62.0190 34.7776 173.1853 50 S 5.2955 9.4710 123.6081 57.1215 64.7256 172.3027 51 A 3.5897 8.3270 120.8657 52.5560 17.4568 177.3233 52 S 4.7962 7.8100 117.1800 57.0224 66.3400 176.1606 53 S 4.0612 8.9660 119.1463 59.6824 60.5092 175.4839 54 L 4.5190 5.6200 123.4179 55.7659 42.1729 176.9587 55 A 4.5103 6.8820 121.0033 51.8776 18.6968 177.3109 56 L 4.2136 7.7676 119.9389 55.5050 46.5062 174.9478 57 K 3.6101 8.2582 122.2849 55.1065 31.5642 174.7377 58 L 3.4658 8.4327 115.6286 55.3363 42.1180 174.6194 59 K 5.1123 7.2555 114.8612 53.5989 35.7433 175.9730 60 G 4.1723 8.1681 106.2312 45.5847 0.0000 173.7149 61 N 4.4656 8.7076 118.3901 56.2223 40.0395 173.7432 62 K 4.1855 7.9644 119.6873 57.3603 29.0136 178.1604 63 T 3.8629 7.9952 109.5410 64.9655 68.8449 176.3254 64 E 3.8973 8.2451 122.0269 58.2788 29.5503 178.8826 65 V 4.1092 7.8518 119.3435 65.0458 31.5995 177.5952 66 A 3.9209 7.9933 120.5524 55.3019 18.3161 179.5429 67 R 3.8291 8.1647 116.8616 60.0794 30.1290 178.6915 68 Q 3.9697 7.8585 117.3819 58.8867 28.5419 179.1347 69 V 3.8131 7.8549 120.8118 64.8552 31.4059 178.2340 70 G 3.6874 8.3064 107.4140 47.7387 0.0000 175.8381 71 R 3.9037 8.2782 121.0084 58.4971 29.6292 179.1169 72 A 4.0646 8.1971 120.8577 54.7252 18.3724 179.3275 73 L 4.0180 8.2618 119.0910 58.1571 42.1835 178.4486 74 A 4.0114 8.0276 120.5365 54.7579 18.0422 178.7668 75 E 3.8471 8.2394 115.3701 59.6680 29.5646 179.8322 76 K 3.8992 7.4985 115.7584 60.1585 32.3850 178.3591 77 A 3.6758 8.9741 117.1476 55.1921 18.1445 181.1351 78 L 3.9292 7.8095 116.2286 58.5809 42.2843 180.6398 79 A 4.4202 7.5384 118.4988 52.2964 17.4879 178.0015 80 L 4.6994 9.1373 118.0832 54.7991 44.2396 176.8105 81 G 4.1524 8.7805 107.2863 46.0826 0.0000 174.7311 82 I 3.8204 7.7490 119.5347 61.3592 37.8850 175.9930 83 K 4.8410 7.7058 130.9845 56.9258 33.2720 173.6642 84 Q 4.6292 8.0032 118.5857 54.8748 31.1481 173.6158 85 V 4.7158 8.1499 118.1774 60.2064 36.1201 173.8620 86 A 4.6679 8.7153 121.7133 50.8088 22.1132 177.4599 87 F 4.6128 8.9642 125.3764 59.2533 40.9015 173.0987 88 D 3.8309 6.0684 125.1225 53.1070 45.7737 175.7729 89 R 3.6938 8.1652 125.3934 54.7925 32.3446 174.0927 90 G 3.4205 8.6441 111.7573 48.9301 0.0000 172.3557 91 P 4.8479 0.0000 0.0000 62.7080 32.1625 178.4460 92 Y 4.2420 8.8696 120.6282 59.0702 37.7343 176.7669 93 K 3.3683 8.3154 114.4836 57.6362 31.9519 175.0366 94 Y 3.4493 7.7188 111.6591 59.3926 36.4122 170.2931 95 H 4.2910 7.8076 126.3279 55.8870 33.2188 177.2415 96 G 2.9094 6.7874 106.7877 45.4506 0.0000 175.6263 97 R 3.8232 8.3112 125.3383 56.9120 30.3452 177.8859 98 V 3.2834 7.2182 118.6050 62.6087 31.7812 176.9321 99 K 4.4531 8.0102 121.3523 55.1451 31.9134 178.1207 100 A 4.3411 7.4018 124.8836 51.8748 16.4349 177.5989 101 L 4.2901 7.4637 121.4614 54.3033 42.8889 180.7993 102 A 4.3894 8.4781 123.3222 52.0576 18.5690 178.6525 103 E 3.6113 9.4882 112.5891 57.6057 33.7793 180.2619 104 G 3.7034 8.3014 95.0000 46.2787 0.0000 174.6297 105 A 4.5452 7.8568 135.0000 52.1507 17.7131 178.6009 106 R 4.2503 7.9168 119.2912 55.7540 31.1042 174.2270 107 E 3.4421 8.3615 118.2646 58.0877 30.2004 173.8783 108 G 3.6712 8.5728 108.6048 46.4070 0.0000 173.9857 *109 G 3.7078 8.0665 113.6818 45.4551 0.0000 173.4500 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 9 R 8.35 4.23 0.00 1.85 1.88 0.00 3.28 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 10 R 7.73 4.10 0.00 1.84 1.69 0.00 3.24 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.26 0.00 11 K 8.24 3.92 0.00 1.77 1.63 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.01 7.81 12 F 7.44 5.17 0.00 2.92 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 13 R 8.85 4.12 0.00 1.84 2.04 0.00 3.46 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 14 V 7.78 2.98 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 0.74 0.00 0.00 0.49 0.00 0.00 15 R 8.62 3.95 0.00 1.93 1.93 0.00 3.37 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 16 N 7.33 4.41 0.00 2.20 2.43 0.00 0.00 6.87 7.54 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 17 R 7.40 4.05 0.00 1.87 2.06 0.00 2.97 0.00 0.00 3.15 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 18 I 8.35 3.31 1.80 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 1.25 0.93 0.89 0.00 0.00 19 K 10.71 4.33 0.00 1.73 2.02 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.37 7.81 20 R 7.71 4.31 0.00 1.77 1.84 0.00 3.32 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 21 T 8.96 4.42 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 22 G 9.56 4.90 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 23 R 8.53 3.42 0.00 1.94 1.91 0.00 3.31 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 24 L 8.18 3.70 0.00 1.86 1.77 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.42 4.59 0.00 1.76 1.77 0.00 3.05 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 26 L 8.59 4.72 0.00 1.88 1.79 1.20 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.37 4.17 0.00 3.86 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 28 V 8.16 4.94 2.06 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 0.99 0.00 0.00 1.10 0.00 0.00 29 F 8.71 4.90 0.00 2.86 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 30 R 9.22 4.64 0.00 1.95 1.97 0.00 3.37 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 31 S 8.10 4.15 0.00 3.20 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 32 L 8.55 3.95 0.00 1.66 1.74 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.94 4.46 0.00 1.67 1.87 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.40 7.81 34 H 7.30 5.29 0.00 3.12 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.12 5.01 1.93 0.00 0.00 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 1.49 2.35 0.95 0.00 0.00 36 Y 9.01 5.29 0.00 2.90 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 37 A 8.15 5.02 1.35 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 0.00 0.00 0.00 38 Q 9.16 4.93 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 39 I 9.32 5.10 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.06 0.93 0.00 0.00 40 I 7.93 4.39 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 1.23 0.74 0.90 0.00 0.00 41 D 9.24 4.91 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.35 4.57 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 3.85 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 44 K 8.49 4.17 0.00 1.89 1.86 0.00 1.88 0.00 0.00 2.01 0.00 0.00 3.03 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.18 1.28 7.81 45 G 8.29 4.03 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 0.00 46 V 7.48 4.35 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 0.80 0.00 0.00 1.02 0.00 0.00 47 T 8.38 4.74 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 1.31 0.00 0.00 48 L 8.67 4.30 0.00 1.70 1.73 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.62 4.41 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 0.94 0.00 0.00 0.95 0.00 0.00 50 S 9.47 5.30 0.00 3.89 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 51 A 8.33 3.59 1.40 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 0.00 0.00 0.00 52 S 7.81 4.80 0.00 3.51 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 53 S 8.97 4.06 0.00 3.93 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 54 L 5.62 4.52 0.00 1.05 1.38 0.86 0.50 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 55 A 6.88 4.51 1.05 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 0.00 0.00 56 L 7.77 4.21 0.00 1.54 1.75 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.26 3.61 0.00 1.98 1.65 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.36 7.81 58 L 8.43 3.47 0.00 1.71 1.57 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.26 5.11 0.00 1.95 1.81 0.00 1.89 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 60 G 8.17 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 61 N 8.71 4.47 0.00 2.78 2.81 0.00 0.00 7.40 6.68 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 62 K 7.96 4.19 0.00 1.89 2.08 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.16 7.81 63 T 8.00 3.86 4.19 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 1.17 0.00 0.00 64 E 8.25 3.90 0.00 2.18 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 2.29 2.30 0.00 65 V 7.85 4.11 2.22 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 1.30 0.00 0.00 0.94 0.00 0.00 66 A 7.99 3.92 1.40 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 0.00 0.00 0.00 67 R 8.16 3.83 0.00 1.98 2.02 0.00 3.27 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 68 Q 7.86 3.97 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 69 V 7.85 3.81 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 0.87 0.00 0.00 0.95 0.00 0.00 70 G 8.31 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 71 R 8.28 3.90 0.00 1.88 2.02 0.00 3.12 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 72 A 8.20 4.06 1.35 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 0.00 0.00 0.00 73 L 8.26 4.02 0.00 1.76 1.85 1.04 1.46 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 74 A 8.03 4.01 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 75 E 8.24 3.85 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 2.44 2.59 0.00 76 K 7.50 3.90 0.00 2.02 1.91 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.49 7.81 77 A 8.97 3.68 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 78 L 7.81 3.93 0.00 1.90 1.68 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.54 4.42 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 80 L 9.14 4.70 0.00 1.70 1.65 1.00 0.91 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 81 G 8.78 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 82 I 7.75 3.82 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 0.93 0.00 0.00 83 K 7.71 4.84 0.00 1.81 1.78 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.20 7.81 84 Q 8.00 4.63 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.50 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 85 V 8.15 4.72 2.31 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 0.79 0.00 0.00 1.01 0.00 0.00 86 A 8.72 4.67 1.21 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 0.00 0.00 0.00 0.00 0.00 87 F 8.96 4.61 0.00 3.07 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 88 D 6.07 3.83 0.00 2.36 1.54 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 89 R 8.17 3.69 0.00 1.79 2.09 0.00 3.64 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 90 G 8.64 3.42 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 0.00 91 P 0.00 4.85 0.00 2.22 2.10 0.00 3.52 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 92 Y 8.87 4.24 0.00 3.18 3.36 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 93 K 8.32 3.37 0.00 1.86 1.98 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.37 7.81 94 Y 7.72 3.45 0.00 2.74 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.81 4.29 0.00 3.23 3.06 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 6.79 2.91 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 97 R 8.31 3.82 0.00 1.91 2.10 0.00 3.20 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 98 V 7.22 3.28 1.14 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 0.45 0.00 0.00 0.64 0.00 0.00 99 K 8.01 4.45 0.00 1.73 1.78 0.00 1.93 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.45 7.81 100 A 7.40 4.34 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 0.00 101 L 7.46 4.29 0.00 1.77 1.68 1.01 0.58 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 0.00 102 A 8.48 4.39 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 0.00 103 E 9.49 3.61 0.00 2.17 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 2.24 2.27 0.00 104 G 8.30 3.70 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 0.00 0.00 0.00 105 A 7.86 4.55 1.34 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 0.00 0.00 106 R 7.92 4.25 0.00 1.91 2.08 0.00 3.59 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 107 E 8.36 3.44 0.00 2.13 1.86 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 2.23 2.27 0.00 108 G 8.57 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 *109 G 8.07 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.