NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3607 8.3044 120.3453 55.0402 33.6927 175.3255 1 E 4.0382 8.2853 117.8866 54.2281 30.6048 174.5754 2 T 4.5724 8.5578 115.9686 59.6465 73.6645 175.2887 3 V 3.5712 8.0939 119.7596 66.0093 31.3846 177.4873 4 Q 3.9860 8.0970 118.8380 59.4339 28.7446 177.7128 5 D 4.3989 7.8815 118.3777 57.8438 41.2834 178.2014 6 C 4.5048 8.0971 116.5858 60.1623 35.6284 176.0620 7 E 3.9097 8.4590 120.2073 59.3897 28.8099 179.0568 8 N 4.4562 8.2952 115.5500 55.1426 38.6491 176.2021 9 K 4.3100 7.4742 118.7282 55.5394 33.1200 176.4473 10 L 4.0877 6.9553 118.5094 55.0492 42.3430 174.8091 11 P 4.7353 0.0000 0.0000 60.8171 32.6482 175.5377 12 P 4.3029 0.0000 0.0000 65.2718 30.9880 178.8162 13 S 4.1386 8.0703 113.3576 60.7234 63.1230 175.3296 14 L 4.3577 8.4050 122.6022 56.3871 42.1503 178.2708 15 K 3.5955 8.0440 119.0909 59.7840 31.6986 178.3614 16 S 4.1018 7.7733 112.4969 60.5211 62.7287 174.6859 17 R 4.6270 8.5398 119.6542 55.5920 30.5613 177.5250 18 L 3.9366 7.6773 123.2539 58.8214 41.7067 178.2207 19 C 4.3151 8.0963 115.7847 59.6140 37.2738 175.6137 20 E 4.0599 8.1326 119.8391 59.5294 29.1651 178.8805 21 I 3.6847 7.5370 119.4530 64.7927 37.1215 178.1669 22 R 4.0565 7.9508 114.9759 57.1788 30.0645 177.7900 23 R 4.4370 7.2783 117.7078 55.4600 30.2806 175.8597 24 Y 3.6969 7.2500 114.1493 58.2685 35.9997 169.6519 25 E 4.1922 8.0177 119.6942 56.1989 30.0552 176.7282 26 I 4.2332 8.3223 124.4274 60.7734 37.8329 175.3418 27 I 4.5433 8.3084 125.9262 59.4087 39.6393 175.4918 28 E 4.3308 8.6487 124.7684 55.9730 30.6217 175.2061 29 G 4.2751 8.6528 106.1942 43.3024 0.0000 173.4962 30 P 4.5939 0.0000 0.0000 64.5524 31.4313 178.4165 31 E 4.0132 8.1596 118.7595 59.9770 29.5391 178.9549 32 M 4.1303 7.9833 117.9391 58.2881 31.8632 178.5389 33 D 4.4354 8.2631 119.5841 57.2332 41.0064 178.5948 34 K 4.1162 7.9019 120.2548 59.3288 32.1354 178.4900 35 H 4.1702 8.1766 118.6042 59.4505 29.8660 177.4790 36 I 3.5127 7.7750 121.4484 64.1488 36.7687 178.0217 37 H 4.1255 8.0197 119.6848 59.2109 29.7468 176.2425 38 C 4.1733 8.1939 120.3078 60.0070 44.6229 176.1724 39 V 3.5233 7.8917 113.8972 64.7135 31.1542 178.4664 40 M 4.2193 8.2271 118.4046 58.5842 31.8566 179.1241 41 R 3.9055 8.0665 118.0742 58.9940 30.0442 178.8076 42 A 4.0472 7.7614 119.7497 54.5382 18.4538 178.7033 43 L 3.8314 7.5067 114.5406 53.5163 42.3446 175.8481 44 D 4.2586 7.3748 116.7950 55.6364 39.7874 174.0406 45 F 5.2002 8.4267 117.0628 57.5031 40.6882 176.4555 46 V 4.8614 7.4047 112.0606 59.3003 35.2748 174.7055 47 Y 4.3414 8.7767 120.4115 57.1687 38.6928 176.7696 48 E 4.0701 9.0916 120.6368 59.8907 29.4201 178.3972 49 D 4.5519 8.1153 114.7321 53.7264 40.0396 176.9147 50 G 4.0808 8.8818 109.8512 45.1429 0.0000 173.4774 51 R 4.0594 8.0459 120.5661 55.4781 30.5252 175.9452 52 G 2.3603 7.8963 113.8867 45.7496 0.0000 172.1644 53 D 4.7317 8.8241 124.0704 52.6219 41.1571 175.9698 54 Y 4.0825 8.9546 128.9758 61.2324 38.6466 178.1671 55 H 4.6827 8.3835 114.0273 57.6517 29.1002 177.3114 56 K 4.3015 8.0486 118.4345 58.1290 32.0593 178.0262 57 L 4.5544 7.7324 117.9451 55.3653 43.7453 177.5116 58 Y 3.8186 7.9301 119.5888 60.9530 38.6049 178.2837 59 D 4.2207 8.1291 118.7454 56.8817 40.6541 176.5864 60 P 4.2082 0.0000 0.0000 65.6954 31.2547 178.4927 61 L 3.7862 8.0128 117.7299 58.0007 41.3092 179.5294 62 N 4.4086 7.6001 114.7275 56.1394 38.4151 177.2602 63 I 3.8047 7.8367 121.1894 64.2494 37.2005 178.1704 64 I 4.1971 7.1383 118.9683 62.6447 37.6441 175.9783 65 E 4.3061 8.1808 121.5169 53.7308 30.2833 173.4765 66 L 4.1486 8.2810 126.9909 55.1352 42.5284 176.1682 67 D 4.3590 8.9153 124.2332 51.9082 44.7209 176.2752 68 K 4.0490 8.7146 127.2372 60.0491 32.3032 179.0243 69 R 4.0567 8.3313 119.1850 58.8505 29.8079 178.4842 70 H 4.2263 7.7920 117.9076 58.2065 28.6785 176.7536 71 D 4.5891 8.3509 119.3525 57.7352 40.9742 178.5516 72 V 3.6405 7.4173 117.2557 66.2478 31.4807 177.7944 73 N 4.3632 8.6202 116.6196 56.0644 38.2683 177.3959 74 L 4.0582 8.3005 120.8665 58.0104 41.7828 179.4780 75 E 4.0888 8.5060 118.4357 59.2119 29.4115 179.3642 76 K 3.9637 8.2370 119.6194 59.9483 32.3634 178.3480 77 C 4.4672 8.6413 117.0648 59.8050 35.7881 176.2080 78 I 3.8420 8.4315 122.0810 64.2421 36.4786 178.4023 79 G 3.7718 8.0150 105.4532 48.0499 0.0000 175.2057 80 E 4.1879 8.3431 121.2292 59.2916 29.4255 179.3237 81 C 4.3078 8.3118 114.4740 61.2230 29.4667 176.0474 82 V 3.6378 7.6907 120.0180 65.2754 31.1497 176.9619 83 Q 4.4143 7.7317 114.7920 55.0654 29.1170 175.6319 84 V 4.4246 6.6560 113.6729 58.5557 34.2474 173.9870 85 P 4.4572 0.0000 0.0000 62.7414 31.6791 177.8149 86 T 4.0193 8.3494 114.4052 64.5038 67.3243 176.1747 87 S 4.3159 8.0522 114.8194 60.4059 63.6300 174.5724 88 E 4.6029 8.1053 120.9196 55.7982 30.3066 177.4618 89 R 3.9179 7.8696 118.1480 60.3334 30.3538 177.9602 90 A 4.6093 8.0698 121.4711 54.9191 18.4539 178.9534 91 H 4.3897 8.3124 116.5173 59.3875 30.0245 177.4501 92 V 3.7072 8.2456 120.4025 65.8040 31.3332 177.7040 93 F 4.2821 8.5897 120.4824 61.5074 39.0839 176.3102 94 Y 3.9357 8.4065 118.9987 60.7794 38.6614 178.1489 95 K 3.9659 8.8294 119.6339 59.7042 32.1036 178.4424 96 C 4.1928 8.4319 118.8664 59.6742 43.3086 175.6752 97 L 3.5973 7.2818 119.3781 57.6567 41.1331 179.2407 98 L 4.0061 7.3843 117.9019 57.4905 41.5674 179.3100 99 K 4.1367 7.6121 117.1808 57.5178 32.4931 177.5773 100 S 4.4374 7.1715 114.3510 57.2633 63.8988 175.1263 101 T 3.9806 8.1989 110.3616 64.0299 68.4816 175.9480 102 T 4.2016 7.8621 119.2612 65.4281 68.4415 176.6141 103 G 3.8676 7.7527 108.6294 47.9984 0.0000 175.2461 104 R 3.7523 7.9355 120.8758 59.5651 29.9623 178.3457 105 T 3.9082 7.6878 114.3644 65.8049 68.7263 176.5642 106 F 4.2204 8.6252 123.1296 61.4618 39.2384 177.3878 107 K 3.3106 7.7380 117.8017 58.8987 31.5564 179.5482 108 K 3.7392 7.1704 118.7546 59.3372 31.8919 179.5209 109 V 3.5548 7.7057 118.4737 65.8406 31.4356 177.6565 110 F 4.2870 8.5525 120.6393 61.5541 39.2304 176.5451 111 D 4.7450 8.7967 118.7585 57.7070 40.7564 178.9076 112 L 3.7759 8.2622 119.2984 58.2075 41.5982 179.4674 113 M 4.0832 8.2930 117.9579 58.3422 32.0852 177.8859 114 E 3.7582 8.1995 119.6819 59.2876 29.8049 178.7966 115 L 3.9825 8.0095 118.8110 57.0758 41.7361 179.5590 116 K 4.1215 8.4564 119.1984 59.5919 31.8315 179.5504 117 K 3.9863 7.9979 117.0973 59.1115 32.0222 178.7168 118 A 4.2673 7.8659 119.2317 52.2893 18.4200 177.8601 119 G 3.8601 7.7915 105.0736 46.3747 0.0000 175.1754 120 K 4.2999 8.3334 121.3252 57.3831 32.6880 177.5835 121 V 4.5926 7.3410 109.8602 58.3932 35.7948 173.1866 122 P 4.5323 0.0000 0.0000 62.5648 31.8394 177.5222 123 Q 4.0261 8.6486 118.3098 58.8839 28.6999 177.2277 124 H 4.6911 8.1273 111.0400 54.8854 28.9911 174.8280 125 Q 3.7115 7.5839 121.4884 57.2183 29.0406 176.6198 126 R 4.4135 8.0804 123.2877 54.6386 32.2413 176.4253 127 Y 4.0127 8.1467 121.1102 56.8354 37.2148 174.6986 128 T 4.5862 7.5824 116.0456 58.9156 73.2631 174.7770 129 A 3.9448 8.3241 121.9903 55.1993 18.2130 179.3307 130 E 3.8305 8.0872 117.3009 59.3762 29.7261 178.5721 131 F 3.9661 8.2993 120.7748 61.2016 39.4084 176.9775 132 V 3.3084 7.5824 117.7825 66.2059 31.2168 177.8221 133 Q 3.9186 7.8389 118.6618 59.1417 28.8458 178.2319 134 I 3.6125 7.6474 121.0476 64.4235 37.0625 178.0878 135 M 3.8053 7.7318 119.3685 58.4161 31.9842 178.4248 136 K 3.9698 7.9631 118.6355 59.6778 32.1089 179.1477 137 D 4.3463 8.2806 119.2187 57.2746 39.1223 178.1906 138 Y 3.9717 8.1681 120.2134 60.8415 38.7690 177.9066 139 D 4.6027 8.4625 119.9382 57.2042 40.9627 178.5786 140 K 3.8540 8.3201 120.0352 59.3762 31.9201 178.3712 141 A 4.1365 7.5866 119.6863 53.6327 18.3780 178.3614 142 L 4.3480 6.7696 114.4229 53.8988 42.0185 175.9967 143 N 4.4023 7.9188 116.1185 54.5721 37.7765 173.4825 144 C 4.6052 8.2792 119.3420 56.5907 41.9544 173.9434 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 4.36 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 1 E 8.29 4.04 0.00 2.04 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 2.28 2.47 0.00 2 T 8.56 4.57 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 1.20 0.00 0.00 3 V 8.09 3.57 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 1.10 0.00 0.00 0.84 0.00 0.00 4 Q 8.10 3.99 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 5 D 7.88 4.40 0.00 2.99 2.74 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 6 C 8.10 4.50 0.00 3.17 3.17 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 7 E 8.46 3.91 0.00 2.04 2.01 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 2.44 2.66 0.00 8 N 8.30 4.46 0.00 2.86 2.89 0.00 0.00 6.89 7.13 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 9 K 7.47 4.31 0.00 2.00 2.00 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.46 7.81 10 L 6.96 4.09 0.00 1.79 1.54 0.80 0.75 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 11 P 0.00 4.74 0.00 2.16 1.94 0.00 3.58 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 12 P 0.00 4.30 0.00 2.25 2.30 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 13 S 8.07 4.14 0.00 4.04 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 14 L 8.40 4.36 0.00 1.75 1.67 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.04 3.60 0.00 1.79 1.81 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.50 7.81 16 S 7.77 4.10 0.00 3.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.54 4.63 0.00 1.91 1.97 0.00 3.20 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 18 L 7.68 3.94 0.00 1.83 1.66 0.97 0.96 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 19 C 8.10 4.32 0.00 3.01 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 20 E 8.13 4.06 0.00 2.16 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 0.00 2.52 2.41 0.00 21 I 7.54 3.68 2.06 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 1.52 0.94 0.92 0.00 0.00 22 R 7.95 4.06 0.00 1.75 1.93 0.00 3.32 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 23 R 7.28 4.44 0.00 1.92 2.00 0.00 3.32 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 24 Y 7.25 3.70 0.00 3.08 2.93 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 25 E 8.02 4.19 0.00 2.13 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 2.33 0.00 26 I 8.32 4.23 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 1.00 0.00 0.00 27 I 8.31 4.54 1.92 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 1.45 0.66 0.94 0.00 0.00 28 E 8.65 4.33 0.00 1.99 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 2.34 2.27 0.00 29 G 8.65 4.28 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 0.00 30 P 0.00 4.59 0.00 2.29 2.34 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 31 E 8.16 4.01 0.00 2.01 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 2.41 2.36 0.00 32 M 7.98 4.13 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 33 D 8.26 4.44 0.00 2.80 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 34 K 7.90 4.12 0.00 1.80 1.94 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 35 H 8.18 4.17 0.00 3.29 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.77 3.51 1.74 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.25 0.54 0.00 0.00 37 H 8.02 4.13 0.00 3.29 3.47 0.00 5.60 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 38 C 8.19 4.17 0.00 3.20 3.26 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 39 V 7.89 3.52 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 0.63 0.00 0.00 1.04 0.00 0.00 40 M 8.23 4.22 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 3.05 0.00 41 R 8.07 3.91 0.00 2.00 1.91 0.00 3.32 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 42 A 7.76 4.05 1.32 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 0.00 0.00 0.00 43 L 7.51 3.83 0.00 0.74 0.46 -0.22 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.37 4.26 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 5.20 0.00 3.23 3.17 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 46 V 7.40 4.86 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 0.97 0.00 0.00 0.93 0.00 0.00 47 Y 8.78 4.34 0.00 3.07 2.89 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 48 E 9.09 4.07 0.00 2.04 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 0.00 2.37 2.39 0.00 49 D 8.12 4.55 0.00 2.81 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 50 G 8.88 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.05 4.06 0.00 1.89 1.88 0.00 3.04 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 52 G 7.90 2.36 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 53 D 8.82 4.73 0.00 2.30 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 54 Y 8.95 4.08 0.00 3.07 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 55 H 8.38 4.68 0.00 3.33 3.46 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.05 4.30 0.00 1.96 2.11 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.76 1.73 7.81 57 L 7.73 4.55 0.00 1.57 1.51 0.85 0.21 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 58 Y 7.93 3.82 0.00 2.52 2.93 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 59 D 8.13 4.22 0.00 2.81 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 60 P 0.00 4.21 0.00 2.13 2.13 0.00 3.57 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.23 0.00 61 L 8.01 3.79 0.00 1.45 1.05 0.70 0.45 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 62 N 7.60 4.41 0.00 2.45 2.69 0.00 0.00 7.14 6.85 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 63 I 7.84 3.80 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.89 0.00 0.00 64 I 7.14 4.20 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 0.79 0.00 0.00 65 E 8.18 4.31 0.00 1.78 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 2.18 2.19 0.00 66 L 8.28 4.15 0.00 1.59 1.56 0.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.92 4.36 0.00 2.67 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 0.00 0.00 0.00 68 K 8.71 4.05 0.00 2.04 2.08 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.54 7.81 69 R 8.33 4.06 0.00 1.89 1.93 0.00 3.07 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 70 H 7.79 4.23 0.00 3.05 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.35 4.59 0.00 3.18 3.04 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 72 V 7.42 3.64 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 0.99 0.00 0.00 0.96 0.00 0.00 73 N 8.62 4.36 0.00 2.68 2.76 0.00 0.00 7.08 6.41 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 74 L 8.30 4.06 0.00 1.87 1.75 0.51 0.77 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 75 E 8.51 4.09 0.00 2.21 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 0.00 2.75 2.56 0.00 76 K 8.24 3.96 0.00 1.91 1.96 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 77 C 8.64 4.47 0.00 3.08 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 78 I 8.43 3.84 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.30 0.91 0.00 0.00 79 G 8.01 3.77 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 0.00 0.00 0.00 80 E 8.34 4.19 0.00 2.28 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 0.00 2.36 2.54 0.00 81 C 8.31 4.31 0.00 3.51 3.47 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 82 V 7.69 3.64 2.24 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 0.85 0.00 0.00 0.98 0.00 0.00 83 Q 7.73 4.41 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.50 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 84 V 6.66 4.42 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 0.78 0.00 0.00 1.03 0.00 0.00 85 P 0.00 4.46 0.00 2.19 1.98 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 86 T 8.35 4.02 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 87 S 8.05 4.32 0.00 4.08 3.99 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 88 E 8.11 4.60 0.00 2.07 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 0.00 2.25 2.33 0.00 89 R 7.87 3.92 0.00 2.12 2.08 0.00 3.48 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 90 A 8.07 4.61 1.48 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 0.00 0.00 91 H 8.31 4.39 0.00 3.27 3.51 0.00 5.70 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 92 V 8.25 3.71 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 1.10 0.00 0.00 1.04 0.00 0.00 93 F 8.59 4.28 0.00 3.29 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.41 3.94 0.00 3.39 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 95 K 8.83 3.97 0.00 1.89 1.87 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.60 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.82 7.81 96 C 8.43 4.19 0.00 3.02 3.20 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 97 L 7.28 3.60 0.00 1.06 0.95 -0.68 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.38 4.01 0.00 1.43 1.58 0.22 0.69 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 99 K 7.61 4.14 0.00 1.79 1.82 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.60 7.81 100 S 7.17 4.44 0.00 4.04 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 0.00 101 T 8.20 3.98 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 1.17 0.00 0.00 102 T 7.86 4.20 4.12 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 1.08 0.00 0.00 103 G 7.75 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.94 3.75 0.00 1.80 1.87 0.00 3.11 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 105 T 7.69 3.91 4.16 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 1.11 0.00 0.00 106 F 8.63 4.22 0.00 2.85 3.06 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 0.00 107 K 7.74 3.31 0.00 1.38 1.17 0.00 1.12 0.00 0.00 0.93 0.00 0.00 2.71 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 0.88 7.81 108 K 7.17 3.74 0.00 1.49 1.02 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 1.15 7.81 109 V 7.71 3.55 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 1.07 0.00 0.00 0.86 0.00 0.00 110 F 8.55 4.29 0.00 2.63 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 0.00 111 D 8.80 4.74 0.00 3.36 3.29 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 0.00 112 L 8.26 3.78 0.00 1.84 1.58 0.82 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 113 M 8.29 4.08 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 114 E 8.20 3.76 0.00 2.14 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 2.23 2.32 0.00 115 L 8.01 3.98 0.00 1.95 1.69 0.56 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.46 4.12 0.00 1.77 1.99 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.57 7.81 117 K 8.00 3.99 0.00 1.69 1.80 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.54 7.81 118 A 7.87 4.27 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 0.00 119 G 7.79 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 0.00 0.00 0.00 120 K 8.33 4.30 0.00 1.80 1.89 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.58 7.81 121 V 7.34 4.59 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 0.93 0.00 0.00 1.01 0.00 0.00 122 P 0.00 4.53 0.00 2.25 2.22 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 123 Q 8.65 4.03 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.19 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 124 H 8.13 4.69 0.00 3.26 3.37 0.00 5.55 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 7.58 3.71 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.14 0.00 126 R 8.08 4.41 0.00 1.80 1.83 0.00 3.26 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 127 Y 8.15 4.01 0.00 2.80 2.89 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 0.00 128 T 7.58 4.59 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 1.23 0.00 0.00 129 A 8.32 3.94 1.32 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 0.00 0.00 0.00 130 E 8.09 3.83 0.00 2.04 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 2.37 2.36 0.00 131 F 8.30 3.97 0.00 3.07 3.02 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 0.00 132 V 7.58 3.31 2.13 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 0.91 0.00 0.00 0.74 0.00 0.00 133 Q 7.84 3.92 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 134 I 7.65 3.61 1.70 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 1.36 0.68 0.78 0.00 0.00 135 M 7.73 3.81 0.00 1.95 1.38 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.81 0.00 136 K 7.96 3.97 0.00 1.98 1.82 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.57 7.81 137 D 8.28 4.35 0.00 2.69 2.71 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 0.00 138 Y 8.17 3.97 0.00 3.08 3.08 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 0.00 0.00 0.00 0.00 139 D 8.46 4.60 0.00 2.91 2.72 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 0.00 140 K 8.32 3.85 0.00 1.96 1.94 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 A 7.59 4.14 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 0.00 142 L 6.77 4.35 0.00 1.72 1.64 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 143 N 7.92 4.40 0.00 2.85 2.94 0.00 0.00 6.87 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 0.00 144 C 8.28 4.61 0.00 3.06 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