NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.9743 8.0501 120.3923 62.7317 32.9466 174.4270 3 A 5.1102 8.4174 127.6362 47.8132 21.4800 174.1566 4 K 4.8207 7.9406 118.1412 55.7986 37.5419 175.6643 5 G 4.0065 8.4488 106.1964 45.0536 0.0000 172.2779 6 L 4.4603 8.3788 119.7427 55.1879 42.2457 178.0526 7 I 4.6906 9.4215 115.5964 60.0521 40.6151 175.3409 8 R 5.1845 7.8531 121.2512 54.5580 33.8524 173.9673 9 I 5.1230 9.6900 125.8381 59.6250 42.0806 174.4061 10 V 4.8419 9.1128 125.4573 61.2598 34.4299 174.1414 11 L 5.3567 8.8985 127.7677 52.8793 45.6327 175.0836 12 D 5.4165 9.2535 123.0584 51.8600 41.6769 175.3780 13 I 5.0010 8.2409 115.1782 58.7849 41.1029 174.4125 14 L 4.5759 8.2810 126.4169 55.0525 43.5647 175.8120 15 K 4.5784 8.3906 126.2829 54.6602 35.1343 173.5728 16 P 4.2897 0.0000 0.0000 63.4624 31.7536 177.0698 17 H 4.0088 9.3081 120.7041 58.0579 28.9405 174.9905 18 E 4.8864 7.6036 118.5534 53.3278 31.9580 173.7796 19 P 4.4860 0.0000 0.0000 61.9131 32.1326 175.9754 20 I 3.9160 8.3793 121.3436 61.2518 38.8400 176.5420 21 I 3.7486 8.3472 122.8399 63.3992 38.2946 176.1369 22 P 4.4467 0.0000 0.0000 65.4149 31.0367 177.0642 23 E 4.0222 8.4378 116.7853 58.6865 29.0806 179.1899 24 Y 3.6990 8.0092 117.0062 61.0677 38.8375 178.6462 25 A 3.9900 8.0508 121.4014 55.2493 18.3164 179.1656 26 K 3.8195 7.8399 116.6694 60.4508 32.6998 177.7259 27 Y 3.7299 8.2992 116.5145 61.4419 38.4446 178.0991 28 L 3.6210 8.6555 119.1409 58.0314 42.0711 179.3778 29 S 4.0374 7.7937 112.1157 60.9860 63.5560 175.2757 30 E 4.1912 7.5939 118.4931 55.2035 28.1887 174.3983 31 L 4.3705 7.1788 119.9550 52.9260 44.6852 176.4901 32 R 3.6800 7.8770 119.6298 57.6634 30.1012 176.4271 33 G 3.6673 8.6651 116.7303 46.6396 0.0000 173.3019 34 V 4.5284 7.0198 116.9372 60.9462 33.1955 175.5195 35 E 4.0714 8.7708 127.6345 57.5873 29.7908 177.9235 36 G 4.4202 6.5596 108.3019 45.7775 0.0000 172.6482 37 V 4.8742 8.4629 122.3946 59.6313 34.9470 174.3479 38 N 4.9733 9.1032 120.1014 52.0221 42.3185 172.8941 39 I 5.0597 8.5666 126.7045 59.9100 39.4729 174.8524 40 T 4.5810 8.4672 118.0350 59.9151 71.3105 174.3275 41 L 4.4075 8.2172 125.6276 54.2664 44.0669 175.0561 *43 E 3.9824 8.4070 121.0964 55.3761 30.7252 175.7722 44 I 4.3525 7.7961 127.9495 59.1504 37.3256 173.4873 45 D 4.5340 7.7997 122.2235 54.1608 42.0173 178.0714 46 K 4.2302 8.5256 118.8973 60.0331 33.2340 178.5648 47 E 4.2643 8.3273 117.9590 58.7824 30.7392 176.8852 48 T 4.4519 8.3770 109.5251 60.8304 67.3901 175.4665 49 E 5.7158 8.3581 135.0000 55.7794 31.2533 174.2395 50 N 5.1080 8.4333 127.4615 52.5277 40.1979 174.2381 51 I 4.8080 8.5661 118.5452 59.0495 42.0359 173.7521 52 K 4.8383 9.4804 125.7009 54.7861 34.6705 174.7681 53 V 4.5311 8.4363 128.2839 61.8696 33.3234 174.6105 54 T 4.9297 9.1730 126.2837 62.2330 69.8276 173.4357 55 I 4.7843 9.1795 128.1653 59.2993 41.1897 174.0842 56 Q 4.8034 8.1239 128.2961 54.6525 32.5914 173.6337 57 G 4.1990 8.7435 115.2237 46.4315 0.0000 171.6835 58 N 4.7488 8.2958 120.8953 53.4130 42.0016 174.5283 59 D 4.1941 8.2174 118.7508 55.8665 38.9807 173.2029 60 L 4.3821 8.0274 125.0844 53.4843 43.4255 177.4357 61 D 4.7342 8.2587 121.5293 52.4680 41.3356 176.4476 62 F 4.2137 8.7855 129.3017 60.9907 39.3396 175.8434 63 D 4.4035 8.6803 117.9606 56.3554 41.0664 178.4098 64 E 3.9995 8.1876 118.9930 59.2019 29.4157 179.4930 65 I 3.7713 7.5740 119.8666 64.5303 36.9171 177.9128 66 T 3.6273 7.6831 114.1789 65.5283 66.9127 176.1195 67 R 3.9349 7.8305 119.0062 59.0333 30.0016 178.8194 68 A 4.3922 7.7188 122.1038 54.7345 18.3322 179.7211 69 I 3.7577 7.7661 118.1620 64.7080 37.2312 178.6120 70 E 4.2435 7.8547 119.8738 58.8315 29.1483 179.2128 71 S 4.1196 8.1891 115.3388 62.0861 62.7962 175.9756 72 Y 3.9808 7.4721 114.9820 58.3252 37.5402 176.6898 73 G 3.9162 8.4770 109.4672 44.8216 0.0000 173.8121 74 G 4.0440 8.3315 108.1553 46.4857 0.0000 173.1240 75 S 4.5979 8.3556 113.8546 57.1516 65.3448 173.7675 76 I 4.1666 8.4989 129.2855 62.4733 36.9079 175.3928 77 H 4.9788 9.5225 124.6584 57.3368 30.1093 175.5371 78 S 4.7238 7.6735 107.9874 56.8751 66.8090 173.0401 79 V 4.4092 8.3715 121.7006 62.3600 31.5061 175.0954 80 D 4.7434 9.3799 128.5899 55.8956 42.1254 176.5941 81 E 4.7808 7.8801 117.2666 54.7786 33.5109 174.2125 82 V 4.9161 8.1981 123.7175 61.3681 35.1256 174.0833 83 V 4.4511 9.0123 127.0692 61.1019 34.0070 173.8836 84 A 5.0776 8.7676 129.2194 51.2482 21.7458 174.2870 85 G 3.7052 8.6254 106.5392 44.2555 0.0000 173.3737 86 R 4.8853 8.7826 118.4879 58.8648 31.9152 177.9239 87 T 4.0188 7.9649 106.6274 61.9128 67.0567 176.3460 *89 V 3.8164 8.8472 114.6547 62.5481 32.6808 173.5841 90 E 4.3034 8.5536 126.4694 55.2393 30.4094 176.1019 91 E 3.9919 8.6006 122.7051 56.6048 30.2416 176.7228 92 V 4.2673 8.1667 119.1319 60.1995 33.3909 175.5320 93 T 4.5065 7.9006 112.6016 60.8971 70.7981 173.2999 94 T 4.3997 7.7072 114.2300 60.4597 70.0635 171.3594 95 P 4.4290 0.0000 0.0000 62.9499 31.2915 176.5637 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 2 V 8.05 3.97 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 0.97 0.00 0.00 0.93 0.00 0.00 3 A 8.42 5.11 1.27 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 4 K 7.94 4.82 0.00 1.89 1.87 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.40 7.81 5 G 8.45 4.01 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 0.00 0.00 0.00 6 L 8.38 4.46 0.00 1.77 1.64 0.96 0.44 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 7 I 9.42 4.69 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 1.17 1.89 0.98 0.00 0.00 8 R 7.85 5.18 0.00 1.85 1.74 0.00 3.31 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 9 I 9.69 5.12 1.96 0.00 0.00 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 1.17 0.93 1.08 0.00 0.00 10 V 9.11 4.84 2.09 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 0.99 0.00 0.00 0.94 0.00 0.00 11 L 8.90 5.36 0.00 1.70 1.57 1.03 0.77 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 12 D 9.25 5.42 0.00 2.67 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 13 I 8.24 5.00 1.89 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 1.18 0.98 0.93 0.00 0.00 14 L 8.28 4.58 0.00 1.79 1.52 1.02 0.36 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 15 K 8.39 4.58 0.00 1.61 1.70 0.00 1.24 0.00 0.00 1.48 0.00 0.00 3.14 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.45 7.81 16 P 0.00 4.29 0.00 2.37 2.04 0.00 3.81 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 2.17 2.19 0.00 17 H 9.31 4.01 0.00 3.14 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.60 4.89 0.00 1.89 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 2.21 2.31 0.00 19 P 0.00 4.49 0.00 2.34 2.07 0.00 4.07 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 20 I 8.38 3.92 1.93 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 1.34 1.39 1.05 0.00 0.00 21 I 8.35 3.75 1.78 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 1.42 1.15 0.91 0.00 0.00 22 P 0.00 4.45 0.00 2.24 2.12 0.00 3.72 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 2.14 2.20 0.00 23 E 8.44 4.02 0.00 2.33 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 2.62 2.68 0.00 24 Y 8.01 3.70 0.00 3.18 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 25 A 8.05 3.99 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 26 K 7.84 3.82 0.00 2.08 1.88 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 27 Y 8.30 3.73 0.00 2.83 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 28 L 8.66 3.62 0.00 1.69 1.69 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.79 4.04 0.00 4.05 4.04 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 30 E 7.59 4.19 0.00 2.08 1.92 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 2.38 2.34 0.00 31 L 7.18 4.37 0.00 1.49 1.56 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.88 3.68 0.00 1.63 2.08 0.00 3.39 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 33 G 8.67 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 34 V 7.02 4.53 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 1.05 0.00 0.00 0.93 0.00 0.00 35 E 8.77 4.07 0.00 1.98 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 2.25 0.00 36 G 6.56 4.42 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 37 V 8.46 4.87 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 0.79 0.00 0.00 0.99 0.00 0.00 38 N 9.10 4.97 0.00 2.73 2.75 0.00 0.00 7.16 7.36 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 39 I 8.57 5.06 1.84 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 1.36 0.79 0.86 0.00 0.00 40 T 8.47 4.58 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 1.26 0.00 0.00 41 L 8.22 4.41 0.00 1.65 1.60 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *43 E 8.41 3.98 0.00 2.11 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 2.27 2.31 0.00 44 I 7.80 4.35 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 1.43 1.02 0.91 0.00 0.00 45 D 7.80 4.53 0.00 2.68 2.66 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 0.00 0.00 0.00 0.00 46 K 8.53 4.23 0.00 1.88 1.95 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 47 E 8.33 4.26 0.00 2.01 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 2.33 2.25 0.00 48 T 8.38 4.45 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 49 E 8.36 5.72 0.00 1.95 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 2.05 1.94 0.00 50 N 8.43 5.11 0.00 2.76 2.68 0.00 0.00 7.00 8.76 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 51 I 8.57 4.81 1.77 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.65 0.78 0.00 0.00 52 K 9.48 4.84 0.00 1.77 1.66 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.34 7.81 53 V 8.44 4.53 2.09 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 0.92 0.00 0.00 0.89 0.00 0.00 54 T 9.17 4.93 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 1.22 0.00 0.00 55 I 9.18 4.78 1.89 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 1.12 1.48 1.02 0.00 0.00 56 Q 8.12 4.80 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.42 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 57 G 8.74 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 0.00 0.00 0.00 0.00 58 N 8.30 4.75 0.00 2.72 2.61 0.00 0.00 7.43 7.89 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 59 D 8.22 4.19 0.00 2.78 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 60 L 8.03 4.38 0.00 1.71 1.61 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.26 4.73 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 62 F 8.79 4.21 0.00 3.16 3.12 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 63 D 8.68 4.40 0.00 2.97 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 64 E 8.19 4.00 0.00 2.13 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 2.32 2.35 0.00 65 I 7.57 3.77 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.89 0.00 0.00 66 T 7.68 3.63 3.40 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 0.98 0.00 0.00 67 R 7.83 3.93 0.00 1.99 1.96 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 68 A 7.72 4.39 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.77 3.76 2.06 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 1.69 0.80 1.01 0.00 0.00 70 E 7.85 4.24 0.00 2.19 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 2.49 2.38 0.00 71 S 8.19 4.12 0.00 3.83 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 72 Y 7.47 3.98 0.00 2.45 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 0.00 0.00 0.00 0.00 73 G 8.48 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 0.00 0.00 0.00 74 G 8.33 4.04 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 0.00 0.00 0.00 75 S 8.36 4.60 0.00 3.85 3.66 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 0.00 0.00 0.00 0.00 76 I 8.50 4.17 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 1.01 0.00 0.00 77 H 9.52 4.98 0.00 3.12 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.67 4.72 0.00 3.90 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 79 V 8.37 4.41 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 0.84 0.00 0.00 1.09 0.00 0.00 80 D 9.38 4.74 0.00 2.66 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 81 E 7.88 4.78 0.00 1.99 1.72 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 2.27 2.30 0.00 82 V 8.20 4.92 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 0.77 0.00 0.00 0.86 0.00 0.00 83 V 9.01 4.45 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 0.90 0.00 0.00 0.97 0.00 0.00 84 A 8.77 5.08 1.20 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 0.00 0.00 0.00 85 G 8.63 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 86 R 8.78 4.89 0.00 1.78 1.97 0.00 3.02 0.00 0.00 3.81 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 87 T 7.96 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 *89 V 8.85 3.82 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 0.85 0.00 0.00 0.93 0.00 0.00 90 E 8.55 4.30 0.00 1.99 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 2.30 2.23 0.00 91 E 8.60 3.99 0.00 1.92 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 2.29 2.33 0.00 92 V 8.17 4.27 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 0.93 0.00 0.00 93 T 7.90 4.51 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 94 T 7.71 4.40 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 95 P 0.00 4.43 0.00 2.08 1.95 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.