NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2562 8.3144 120.1305 56.4618 34.1746 175.5724 6 T 4.0389 7.6714 111.9194 60.2475 68.2551 171.7558 7 A 5.0522 8.4831 130.9222 49.2275 23.3366 171.3479 8 P 4.6321 0.0000 0.0000 62.5002 32.9421 176.9878 9 A 4.8021 5.8000 113.6349 49.8487 22.3683 177.8931 10 V 4.4697 7.8782 120.3662 61.2128 34.4814 173.5263 11 T 4.2036 8.2952 112.4025 60.8696 69.7698 172.3560 12 L 4.1233 8.4757 126.2535 54.9847 42.7700 176.9925 13 R 4.6433 8.7179 121.7402 54.3157 32.8720 175.1892 14 T 4.3841 8.5300 115.5836 61.2256 68.9038 174.6393 15 R 4.0388 8.5630 127.3372 58.2125 30.5167 175.9003 16 K 4.6204 7.2859 112.6056 56.0489 35.7810 173.7884 17 F 5.5795 8.7555 117.5123 55.9142 43.2013 174.0401 18 M 5.7648 8.6283 118.0094 55.0164 36.8124 173.4047 19 T 4.7658 8.7073 114.6595 60.3599 70.4117 172.4109 20 N 4.8735 7.3710 127.5326 51.9442 39.2475 175.7702 21 R 4.0444 8.6944 126.4351 58.2473 30.3924 177.3705 22 L 4.6475 7.7802 117.4940 55.4601 41.4575 176.5164 23 L 4.3985 7.0891 121.3740 54.5852 43.4209 178.3887 24 S 4.6752 7.8468 105.5818 58.4973 63.5910 173.8766 25 R 4.7511 7.9275 120.8064 53.6101 33.4804 173.7808 26 K 5.1774 8.5532 124.3212 54.5564 35.6805 175.2389 27 Q 4.7906 9.1497 124.5369 54.0411 31.0114 174.4375 28 F 4.8903 9.0401 126.6080 56.2562 41.1075 174.4950 29 V 2.0000 6.2829 127.2453 59.9591 33.9898 174.0257 30 L 5.1955 5.6200 125.5748 54.9991 43.8762 174.1022 31 E 4.9818 8.6658 118.1108 54.4951 32.7035 175.5267 32 V 4.7255 7.9442 123.1829 60.5551 33.4557 174.9403 33 L 4.4297 8.3671 121.1765 54.8324 45.5133 173.7103 34 H 4.6975 10.2817 119.2560 55.4995 25.4345 173.6712 35 P 3.7702 0.0000 0.0000 63.8408 31.0794 176.2668 36 G 3.9099 8.2956 106.1897 45.5451 0.0000 172.6052 37 R 3.5454 9.1071 117.1930 59.0846 28.9169 178.5457 38 A 4.3629 9.0255 132.9032 53.1028 20.5980 176.1175 39 N 4.2451 9.1484 117.4157 56.1189 37.7136 175.5300 40 V 2.8617 6.9696 120.3573 61.3506 31.5310 174.0028 41 S 4.8652 7.9832 120.0341 55.9679 66.2293 174.9568 42 K 4.0991 8.5616 120.6446 59.5803 32.0087 179.6568 43 A 3.9986 7.7959 120.4089 55.3321 18.6443 179.3129 44 D 4.4932 7.9972 117.0051 57.2712 40.9284 178.5528 45 L 4.0430 7.6255 119.5911 58.1219 42.0391 179.0186 46 K 4.0061 8.3027 119.6256 59.4383 32.1339 178.6684 47 E 3.9566 8.1305 118.9763 59.2285 29.4252 179.2301 48 K 3.9296 8.0354 119.5322 59.3826 32.0838 178.4998 49 L 3.9602 7.9304 119.1890 58.2758 42.3269 178.5508 50 A 4.1579 8.3911 120.9587 54.7594 18.2258 179.2458 51 K 4.1203 7.9571 114.9515 57.7857 32.4685 178.5181 52 L 4.1669 7.8856 122.9636 56.6552 42.1485 176.6645 *53 Y 4.6937 8.6175 115.7440 56.1393 36.8141 181.0802 *54 E 4.6541 9.5472 114.6855 58.3115 28.3491 176.9430 *55 V 4.4396 7.8490 118.7384 60.4209 34.8857 177.9689 *56 K 4.2035 8.5911 120.5440 56.5626 33.7312 176.3541 *57 D 4.6051 8.9792 121.7841 54.0036 40.6944 179.3661 *58 S 3.6944 9.2711 124.0712 58.8166 59.7487 170.2378 *59 N 4.0695 8.2932 121.3473 54.5082 36.2000 176.2904 *60 C 4.8483 8.5091 112.6848 60.6723 29.3357 170.9224 *61 I 4.1595 7.6481 117.8770 61.1816 36.5779 180.7172 62 F 4.8758 8.5869 123.1418 55.5175 41.8712 174.4081 63 V 4.1874 8.1100 117.9537 60.0825 32.0677 175.8652 64 F 4.6973 8.1704 117.2732 57.4868 43.4061 174.8364 65 K 4.0501 7.9143 124.1334 56.2126 29.9305 177.4761 66 F 4.5944 7.1815 118.1408 56.6092 39.2672 175.8799 67 R 4.6298 8.4570 125.7225 54.5960 32.7281 174.2823 68 T 4.7501 8.1894 119.8152 61.2465 70.7581 172.0240 69 H 4.9707 8.1125 119.7324 56.0308 28.6831 173.2384 70 F 4.8940 8.4111 122.0300 58.8222 42.9076 177.2042 71 G 3.3819 8.2307 103.2657 48.0669 0.0000 174.5647 72 G 4.2909 9.0402 111.5168 43.5096 0.0000 173.3319 73 G 3.6361 8.5630 106.4901 46.8480 0.0000 174.1862 74 K 4.2306 7.9255 119.3307 55.5689 31.5021 176.2192 75 S 4.8208 8.3108 118.7835 56.7762 65.1363 173.4955 76 T 4.7691 8.2426 111.4602 60.3787 70.8953 173.1368 77 G 4.3645 8.4382 108.7945 45.6793 0.0000 170.4400 78 F 4.9275 8.1464 119.5962 57.8535 42.1508 173.2487 79 G 4.0522 7.4504 109.9922 44.5199 0.0000 171.3692 80 L 4.9985 7.8612 119.8839 53.6857 44.5619 177.2784 *81 I 4.6179 8.2247 121.9898 59.6798 39.5111 177.1080 *82 Y 4.3692 8.3457 129.5829 55.8920 34.5279 175.6682 *83 D 5.0186 8.0868 135.0000 53.1180 39.4256 179.1648 *84 N 5.0841 8.3829 119.4260 54.4438 42.5779 174.0847 *85 L 4.2382 8.3455 127.3962 59.3982 41.1093 178.9506 86 D 4.4097 7.9748 118.2392 57.1334 40.8029 178.3857 87 A 4.6501 7.9000 119.6741 55.1674 18.7747 179.0565 88 A 4.0709 7.9513 119.4575 55.0856 18.2044 179.7525 89 K 3.7157 7.1965 117.1922 59.2840 32.2709 178.6395 90 K 4.1010 5.6600 118.2219 58.2469 33.4844 175.9499 91 Y 4.9599 7.3492 120.5733 54.6570 39.3539 174.1354 92 E 4.3649 8.5613 125.3628 55.0184 31.0361 174.0552 93 P 4.5253 0.0000 0.0000 62.2451 31.8087 176.7589 94 K 4.3656 8.8360 124.1959 55.9989 31.9763 180.2331 95 Y 3.8517 9.5236 122.1158 61.4758 38.2133 173.7347 96 R 3.9748 7.5526 120.2884 59.7439 30.4896 178.1361 97 L 4.1919 9.0876 118.8687 57.8706 41.2803 179.5547 98 I 3.8518 7.6829 118.4873 63.8365 37.1956 177.4740 99 R 4.4268 7.7119 116.3273 56.3264 30.1129 177.7384 100 N 4.6124 8.1655 118.5043 54.6264 38.6389 176.4785 101 G 4.8288 7.4362 117.9383 46.8316 0.0000 172.0578 102 L 4.1181 7.7641 125.3669 54.9878 42.1375 176.1841 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 K 8.31 4.26 0.00 1.77 1.97 0.00 1.84 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.42 7.81 6 T 7.67 4.04 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 7 A 8.48 5.05 1.19 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 0.00 0.00 8 P 0.00 4.63 0.00 2.03 1.72 0.00 3.43 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 9 A 5.80 4.80 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 10 V 7.88 4.47 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 0.64 0.00 0.00 1.07 0.00 0.00 11 T 8.30 4.20 4.50 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 1.23 0.00 0.00 12 L 8.48 4.12 0.00 1.62 1.72 1.03 1.04 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 13 R 8.72 4.64 0.00 1.74 1.84 0.00 3.13 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 14 T 8.53 4.38 4.72 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 1.44 0.00 0.00 15 R 8.56 4.04 0.00 1.66 1.92 0.00 3.34 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 16 K 7.29 4.62 0.00 1.83 1.86 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.52 1.48 7.81 17 F 8.76 5.58 0.00 2.60 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 18 M 8.63 5.76 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 19 T 8.71 4.77 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 1.24 0.00 0.00 20 N 7.37 4.87 0.00 1.65 2.32 0.00 0.00 7.07 7.53 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 21 R 8.69 4.04 0.00 1.83 1.97 0.00 3.40 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 22 L 7.78 4.65 0.00 1.74 1.74 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.09 4.40 0.00 1.66 1.36 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.85 4.68 0.00 3.73 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 25 R 7.93 4.75 0.00 1.82 1.73 0.00 3.33 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.25 0.00 26 K 8.55 5.18 0.00 1.76 1.75 0.00 1.33 0.00 0.00 2.61 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.30 7.81 27 Q 9.15 4.79 0.00 2.50 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 28 F 9.04 4.89 0.00 3.10 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 29 V 6.28 2.00 1.68 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 0.34 0.00 0.00 0.85 0.00 0.00 30 L 5.62 5.20 0.00 1.67 1.51 1.09 0.43 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 31 E 8.67 4.98 0.00 1.93 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 2.32 2.24 0.00 32 V 7.94 4.73 2.41 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 0.66 0.00 0.00 1.00 0.00 0.00 33 L 8.37 4.43 0.00 1.62 1.60 0.94 1.19 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 34 H 10.28 4.70 0.00 3.13 3.65 0.00 5.87 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 35 P 0.00 3.77 0.00 2.16 2.00 0.00 4.11 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 1.89 1.95 0.00 36 G 8.30 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 37 R 9.11 3.55 0.00 1.73 1.58 0.00 3.15 0.00 0.00 3.22 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 38 A 9.03 4.36 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 39 N 9.15 4.25 0.00 2.82 3.21 0.00 0.00 6.76 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 40 V 6.97 2.86 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 0.62 0.00 0.00 0.84 0.00 0.00 41 S 7.98 4.87 0.00 3.92 3.84 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 42 K 8.56 4.10 0.00 1.81 1.89 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.48 7.81 43 A 7.80 4.00 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 44 D 8.00 4.49 0.00 2.84 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 45 L 7.63 4.04 0.00 1.87 1.72 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.30 4.01 0.00 2.02 1.95 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 47 E 8.13 3.96 0.00 2.25 1.99 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 2.34 2.60 0.00 48 K 8.04 3.93 0.00 1.99 2.08 0.00 1.52 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.72 1.36 7.81 49 L 7.93 3.96 0.00 1.76 2.05 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.39 4.16 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 51 K 7.96 4.12 0.00 1.85 1.83 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.56 7.81 52 L 7.89 4.17 0.00 1.71 1.74 0.34 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *53 Y 8.62 4.69 0.00 2.32 1.43 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 0.00 *54 E 9.55 4.65 0.00 2.04 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 0.00 2.05 1.73 0.00 *55 V 7.85 4.44 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 0.89 0.00 0.00 0.93 0.00 0.00 *56 K 8.59 4.20 0.00 1.73 1.45 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.95 7.81 *57 D 8.98 4.61 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.27 3.69 0.00 3.78 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 *59 N 8.29 4.07 0.00 2.86 2.72 0.00 0.00 6.62 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *60 C 8.51 4.85 0.00 2.46 2.82 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 *61 I 7.65 4.16 1.87 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 1.34 1.10 0.91 0.00 0.00 62 F 8.59 4.88 0.00 2.63 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 0.00 0.00 0.00 0.00 63 V 8.11 4.19 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 0.71 0.00 0.00 0.93 0.00 0.00 64 F 8.17 4.70 0.00 2.94 2.92 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 65 K 7.91 4.05 0.00 1.66 1.71 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.45 7.81 66 F 7.18 4.59 0.00 3.10 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 67 R 8.46 4.63 0.00 1.70 1.74 0.00 3.18 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 68 T 8.19 4.75 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 1.19 0.00 0.00 69 H 8.11 4.97 0.00 3.20 2.80 0.00 5.85 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.41 4.89 0.00 3.00 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 71 G 8.23 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 0.00 0.00 0.00 72 G 9.04 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 0.00 0.00 0.00 0.00 73 G 8.56 3.64 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 0.00 0.00 0.00 74 K 7.93 4.23 0.00 1.77 1.81 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 75 S 8.31 4.82 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 76 T 8.24 4.77 4.35 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 1.32 0.00 0.00 77 G 8.44 4.36 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 0.00 78 F 8.15 4.93 0.00 2.75 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 0.00 0.00 0.00 0.00 79 G 7.45 4.05 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 0.00 80 L 7.86 5.00 0.00 1.74 1.54 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *81 I 8.22 4.62 1.87 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 1.20 0.75 0.91 0.00 0.00 *82 Y 8.35 4.37 0.00 2.09 2.14 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 *83 D 8.09 5.02 0.00 2.69 2.12 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 *84 N 8.38 5.08 0.00 2.68 2.64 0.00 0.00 6.74 6.67 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 *85 L 8.35 4.24 0.00 1.65 1.70 0.92 1.00 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 86 D 7.97 4.41 0.00 2.48 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 87 A 7.90 4.65 1.55 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 88 A 7.95 4.07 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 89 K 7.20 3.72 0.00 1.71 1.55 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.27 7.81 90 K 5.66 4.10 0.00 2.08 2.16 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.69 1.67 7.81 91 Y 7.35 4.96 0.00 3.19 2.82 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 92 E 8.56 4.36 0.00 1.84 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 2.21 2.41 0.00 93 P 0.00 4.53 0.00 2.01 2.03 0.00 3.73 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 2.13 0.00 94 K 8.84 4.37 0.00 1.87 0.92 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.52 7.81 95 Y 9.52 3.85 0.00 2.95 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 0.00 0.00 0.00 0.00 96 R 7.55 3.97 0.00 1.91 2.18 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 97 L 9.09 4.19 0.00 1.70 1.74 1.05 0.84 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 98 I 7.68 3.85 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.31 0.88 0.00 0.00 99 R 7.71 4.43 0.00 1.84 1.99 0.00 3.36 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 100 N 8.17 4.61 0.00 2.87 2.89 0.00 0.00 6.75 7.80 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 0.00 101 G 7.44 4.83 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 0.00 102 L 7.76 4.12 0.00 1.60 1.56 0.92 0.82 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 * Residues marked with a * may have inaccurate shift predictions.