NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5238 8.3049 118.1985 55.0256 32.5828 174.5010 1 I 4.4529 8.2474 121.0128 59.1409 40.3443 173.3659 2 Q 5.0279 9.4983 124.2485 54.2890 32.8313 174.7847 3 R 4.8008 9.4718 122.3094 54.7442 34.7902 174.6668 4 T 4.9301 8.5508 119.8919 62.0348 69.4248 172.8830 5 P 4.7413 0.0000 0.0000 62.8711 32.3553 175.7363 6 K 4.6231 9.1769 123.7779 55.1704 34.1360 175.6184 7 I 5.2393 8.4066 124.5573 59.6730 40.4390 174.6760 8 Q 4.8404 9.3874 125.9306 54.0114 32.0269 174.6235 9 V 5.1004 8.6212 123.4826 61.3360 33.7831 174.0521 10 Y 5.3066 8.4406 124.7761 56.0731 41.4354 174.1488 11 S 4.8401 9.0497 116.2316 57.3776 64.5939 173.9605 12 R 3.9881 8.7944 122.2912 58.9516 30.0702 176.7022 13 F 5.3021 8.1630 114.2831 54.4632 42.8080 172.8436 14 P 4.3879 0.0000 0.0000 63.0365 31.6051 176.5322 15 A 4.4040 8.7150 125.3512 52.3605 19.1999 176.7839 16 E 4.6644 8.5203 119.9654 54.2648 33.1448 175.0632 17 N 4.6193 8.8645 121.7702 54.9445 38.9846 175.5125 18 G 3.9159 9.0908 111.0458 45.3898 0.0000 173.0305 19 K 4.4727 7.8191 119.4944 53.9872 33.8938 176.2835 20 S 4.2093 8.3565 118.3982 58.5105 63.4526 172.1435 21 N 4.8037 8.1808 122.0434 53.3804 43.2423 172.4823 22 F 5.2702 8.7211 117.6276 55.4727 42.9335 174.1066 23 L 4.5515 8.7869 124.9628 53.1483 44.2669 174.7402 24 N 5.3525 8.4688 122.8844 51.3950 42.5443 172.6076 25 C 5.3682 9.5490 122.7143 55.1378 47.6524 171.7415 26 Y 5.1965 9.4267 129.0137 55.9575 40.7673 174.3065 27 V 5.1894 9.2838 127.2298 61.3318 34.4254 174.4815 28 S 5.3167 8.6956 121.4486 57.3747 67.1519 174.6804 29 G 4.1455 8.9012 105.4000 46.0380 0.0000 173.1246 30 F 5.3357 7.5080 114.2119 55.7181 40.9215 174.0635 31 H 5.3875 8.9757 118.7636 54.6150 33.7254 171.6911 32 P 4.6054 0.0000 0.0000 62.2613 32.7465 176.7432 33 S 3.8819 8.1312 112.8267 59.5453 63.0902 174.1275 34 D 4.2743 7.1082 122.3549 55.2510 40.7729 175.4544 35 I 4.4201 7.6086 121.7698 60.1998 41.1067 172.8850 36 E 4.6833 8.6938 125.9884 54.4486 32.8405 175.2020 37 V 4.6788 8.0766 122.8401 61.2201 34.4802 174.1568 38 D 4.7399 8.6923 126.1712 52.6374 45.6618 174.2332 39 L 5.0852 8.7246 121.1928 53.4928 44.2946 175.3334 40 L 5.2021 9.0768 122.7112 52.7591 45.2883 175.2591 41 K 4.4806 8.9543 124.9801 54.7305 34.4969 175.7983 42 N 4.0917 9.8187 127.2203 54.4363 36.6945 175.5169 43 G 3.8987 8.4198 103.0425 45.4250 0.0000 173.1647 44 E 4.6308 7.9180 120.9808 53.5262 31.7261 175.5155 45 R 4.3818 8.5372 124.9141 56.6080 30.6862 176.2198 46 I 4.0931 8.4181 124.3176 60.8658 38.0302 175.6757 47 E 4.1207 8.8867 126.6204 58.5318 29.9029 177.2371 48 K 4.2511 7.6424 119.5791 55.2895 31.4207 175.1200 49 V 4.3534 7.5229 125.3592 61.5837 34.8123 173.7666 50 E 4.6210 8.1438 125.3740 54.8585 32.7198 174.5599 51 H 5.3263 7.8851 115.9789 54.0634 31.6647 173.1607 52 S 4.5041 8.8945 114.8642 58.0607 63.9550 173.8260 53 D 4.4566 8.6126 121.4402 53.8766 41.1230 176.0994 54 L 3.9814 8.6218 125.3225 56.3734 42.5575 176.1669 55 S 4.7356 8.3243 119.9655 57.1260 68.3084 172.4087 56 F 4.8732 8.4058 121.9796 56.5782 41.7312 173.9048 57 S 4.2750 8.6131 121.8002 56.1375 65.5385 174.9242 58 K 3.5485 8.2076 124.9698 59.2813 31.8793 176.7626 59 D 4.5626 7.2081 117.1586 52.2674 42.6976 176.3768 *61 S 4.4582 7.6531 122.7433 58.3320 63.9074 174.2661 62 F 4.8270 8.6730 126.8555 58.3713 39.8748 174.0806 63 Y 5.5335 8.2885 118.2796 56.1227 41.7663 173.7469 64 L 4.9979 9.9399 120.9752 53.2711 46.8010 174.6715 65 L 4.7841 9.0426 125.3201 53.2801 44.8321 174.2918 66 Y 5.1630 8.8655 127.2302 55.9797 41.8638 173.6691 67 Y 5.2675 8.1851 123.7010 56.4809 42.3959 173.3687 68 T 4.8385 8.7687 113.2295 60.5839 71.2790 172.2198 69 E 4.1072 8.6938 129.1187 56.0062 30.6018 175.3870 70 F 4.8748 8.8557 120.0195 56.1999 41.7563 173.2879 71 T 4.4279 8.2550 115.6721 60.7916 71.1069 172.0011 72 P 4.8566 0.0000 0.0000 62.8577 32.8388 175.3985 73 T 5.1295 8.2303 109.9069 59.4218 72.0291 174.6776 74 E 4.0018 8.9986 120.8272 59.0916 29.3664 178.5908 75 K 4.4648 7.8102 114.4242 56.3102 33.4868 176.3663 76 D 4.6419 7.7743 119.2887 54.2005 41.5002 175.2325 77 E 4.8978 9.4104 123.0923 54.8376 32.1983 174.6974 78 Y 5.3754 8.8773 120.5048 56.5471 42.1038 174.3085 79 A 5.1219 9.0050 122.2316 51.1521 23.6740 174.0937 80 C 5.2686 9.4850 120.3176 54.7914 46.0692 172.4798 81 R 5.1306 8.9092 127.0257 54.6063 32.0993 174.6653 82 V 4.8785 8.8129 126.1971 61.0131 34.7999 173.4884 83 N 5.2741 8.6640 125.9627 52.3224 41.9673 172.4515 84 H 4.9959 8.3730 122.6288 55.0334 32.8433 174.7035 85 V 3.6213 8.2070 123.2042 64.8419 31.5199 177.4271 86 T 4.1281 8.0376 109.1887 62.7303 69.1905 173.5843 87 L 4.8487 7.5798 123.4196 53.0199 43.0333 177.0211 88 S 4.2901 8.6653 118.0435 61.0301 63.2712 174.0692 89 Q 4.5839 7.5461 115.8518 53.5708 31.0879 172.0177 90 P 4.4337 0.0000 0.0000 63.2062 32.1305 175.5198 91 K 4.5155 9.3088 125.1276 54.8788 34.3133 174.8350 92 I 4.7428 8.3906 127.9401 59.7095 39.2408 175.0282 93 V 4.3205 8.9239 128.6372 60.9522 32.9987 175.1852 94 K 4.6981 8.6791 127.8269 55.8327 33.1289 176.8102 95 W 4.4879 9.1485 134.9334 57.4639 31.1437 175.4362 96 D 4.4263 8.6894 128.2186 52.5472 40.4248 176.1940 97 R 3.2959 7.6748 124.6993 56.1901 29.9213 176.9354 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 M 8.30 4.52 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 1 I 8.25 4.45 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.90 0.00 0.00 2 Q 9.50 5.03 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 3 R 9.47 4.80 0.00 1.88 1.98 0.00 3.17 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 4 T 8.55 4.93 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 1.24 0.00 0.00 5 P 0.00 4.74 0.00 1.89 1.81 0.00 3.64 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 6 K 9.18 4.62 0.00 1.81 1.76 0.00 1.81 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.49 7.81 7 I 8.41 5.24 1.93 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 1.37 0.65 0.98 0.00 0.00 8 Q 9.39 4.84 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 9 V 8.62 5.10 2.27 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 0.94 0.00 0.00 1.06 0.00 0.00 10 Y 8.44 5.31 0.00 3.26 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 11 S 9.05 4.84 0.00 4.24 3.81 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 0.00 0.00 0.00 12 R 8.79 3.99 0.00 1.66 1.78 0.00 2.87 0.00 0.00 2.72 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 13 F 8.16 5.30 0.00 3.18 2.85 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 14 P 0.00 4.39 0.00 2.14 2.12 0.00 3.91 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 15 A 8.71 4.40 1.57 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 0.00 0.00 16 E 8.52 4.66 0.00 1.99 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 2.31 2.33 0.00 17 N 8.86 4.62 0.00 2.73 2.80 0.00 0.00 7.20 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 18 G 9.09 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 19 K 7.82 4.47 0.00 1.78 1.70 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.64 7.81 20 S 8.36 4.21 0.00 3.80 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 21 N 8.18 4.80 0.00 2.55 2.07 0.00 0.00 7.14 7.12 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 22 F 8.72 5.27 0.00 2.89 2.81 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 0.00 0.00 0.00 23 L 8.79 4.55 0.00 0.27 0.52 -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.47 5.35 0.00 1.44 2.12 0.00 0.00 6.07 7.97 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 25 C 9.55 5.37 0.00 2.93 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 26 Y 9.43 5.20 0.00 3.35 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 27 V 9.28 5.19 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 0.78 0.00 0.00 0.95 0.00 0.00 28 S 8.70 5.32 0.00 4.02 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 29 G 8.90 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 30 F 7.51 5.34 0.00 2.99 3.16 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 0.00 0.00 0.00 0.00 31 H 8.98 5.39 0.00 3.49 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.61 0.00 2.22 2.18 0.00 3.82 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 33 S 8.13 3.88 0.00 3.31 2.63 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 34 D 7.11 4.27 0.00 2.57 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 35 I 7.61 4.42 1.54 0.00 0.00 -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 1.02 0.42 0.78 0.00 0.00 36 E 8.69 4.68 0.00 1.83 1.69 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 2.13 2.12 0.00 37 V 8.08 4.68 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 0.18 0.00 0.00 0.68 0.00 0.00 38 D 8.69 4.74 0.00 2.52 2.45 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 39 L 8.72 5.09 0.00 1.73 1.62 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.08 5.20 0.00 1.53 1.52 0.92 0.52 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 41 K 8.95 4.48 0.00 1.76 1.59 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.08 0.60 7.81 42 N 9.82 4.09 0.00 2.74 2.79 0.00 0.00 7.14 7.50 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 43 G 8.42 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 44 E 7.92 4.63 0.00 1.95 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 0.00 2.19 2.23 0.00 45 R 8.54 4.38 0.00 1.84 1.88 0.00 3.31 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 46 I 8.42 4.09 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.52 0.90 0.00 0.00 47 E 8.89 4.12 0.00 1.92 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 0.00 2.25 2.28 0.00 48 K 7.64 4.25 0.00 1.85 1.80 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.39 7.81 49 V 7.52 4.35 1.73 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 -0.43 0.00 0.00 0.82 0.00 0.00 50 E 8.14 4.62 0.00 1.16 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 1.95 2.24 0.00 51 H 7.89 5.33 0.00 3.30 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.89 4.50 0.00 3.99 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 53 D 8.61 4.46 0.00 2.72 2.69 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 54 L 8.62 3.98 0.00 1.70 1.68 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.32 4.74 0.00 2.88 3.53 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 56 F 8.41 4.87 0.00 2.03 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 57 S 8.61 4.27 0.00 3.79 3.51 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 K 8.21 3.55 0.00 1.59 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.22 1.34 7.81 59 D 7.21 4.56 0.00 2.51 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.65 4.46 0.00 3.91 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 62 F 8.67 4.83 0.00 1.96 2.19 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 63 Y 8.29 5.53 0.00 3.28 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 64 L 9.94 5.00 0.00 1.72 1.66 0.99 0.54 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 65 L 9.04 4.78 0.00 0.81 1.33 0.71 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.87 5.16 0.00 3.06 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 67 Y 8.19 5.27 0.00 3.12 2.99 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 68 T 8.77 4.84 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 0.98 0.00 0.00 69 E 8.69 4.11 0.00 1.52 1.60 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 1.95 1.53 0.00 70 F 8.86 4.87 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 4.43 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 1.16 0.00 0.00 72 P 0.00 4.86 0.00 2.39 2.49 0.00 3.38 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.86 0.00 73 T 8.23 5.13 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 1.31 0.00 0.00 74 E 9.00 4.00 0.00 2.01 2.10 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 2.35 2.38 0.00 75 K 7.81 4.46 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.45 7.81 76 D 7.77 4.64 0.00 2.93 2.43 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 77 E 9.41 4.90 0.00 1.81 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 2.25 2.25 0.00 78 Y 8.88 5.38 0.00 3.19 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.01 5.12 1.26 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 80 C 9.49 5.27 0.00 2.97 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 81 R 8.91 5.13 0.00 1.87 1.71 0.00 3.05 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 82 V 8.81 4.88 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 0.72 0.00 0.00 0.84 0.00 0.00 83 N 8.66 5.27 0.00 2.80 2.53 0.00 0.00 6.29 7.45 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 84 H 8.37 5.00 0.00 3.06 3.01 0.00 5.73 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 85 V 8.21 3.62 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 0.71 0.00 0.00 0.91 0.00 0.00 86 T 8.04 4.13 4.32 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 1.34 0.00 0.00 87 L 7.58 4.85 0.00 1.78 1.81 0.93 0.76 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 88 S 8.67 4.29 0.00 3.98 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 89 Q 7.55 4.58 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 90 P 0.00 4.43 0.00 1.93 2.00 0.00 3.64 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 2.01 2.17 0.00 91 K 9.31 4.52 0.00 1.77 1.64 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.40 7.81 92 I 8.39 4.74 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 0.76 0.93 0.00 0.00 93 V 8.92 4.32 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 0.93 0.00 0.00 0.97 0.00 0.00 94 K 8.68 4.70 0.00 1.75 1.81 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.48 7.81 95 W 9.15 4.49 0.00 3.27 3.43 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 96 D 8.69 4.43 0.00 2.66 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 97 R 7.67 3.30 0.00 1.49 1.46 0.00 3.20 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.69 0.00 * Residues marked with a * may have inaccurate shift predictions.