NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2619 8.2993 120.1345 56.0207 33.4537 174.9581 4 K 4.0952 8.2205 120.1153 55.7008 33.7332 175.0248 5 S 4.3611 8.7151 117.8045 57.3023 63.9536 176.3315 6 A 4.2054 8.4255 127.4345 51.9861 19.9372 177.8180 7 R 3.8684 8.4897 119.9716 59.6374 30.2467 179.3717 8 I 3.8938 7.6654 119.0359 64.4639 37.2216 178.5638 9 R 4.0026 7.8541 118.4224 59.1828 29.7225 179.1352 10 R 4.0155 8.1893 117.1643 58.3023 30.1226 177.7875 11 A 4.4057 7.7399 118.6659 51.4039 19.0549 177.0273 12 T 3.4395 7.5816 110.8672 62.6172 66.5777 173.5704 13 R 4.0498 7.6372 118.2219 57.7129 30.0924 176.2780 14 A 4.4188 7.6363 120.5369 51.4540 20.9955 176.2667 15 R 4.3327 7.9662 113.1823 54.8379 30.5772 175.5822 16 R 4.0792 8.5450 124.1892 58.4099 30.0400 177.6191 17 K 4.6976 7.9537 119.2082 57.8751 32.3921 177.3969 18 L 4.4500 7.2916 116.1929 55.4320 41.9992 177.4615 19 Q 4.3533 7.7989 118.1597 57.1122 29.3524 177.3841 20 E 3.7462 8.0736 118.2211 58.6149 29.5092 178.6883 21 L 3.8865 7.7857 121.2994 56.5090 42.4488 177.4910 22 G 3.8623 7.8145 104.5681 46.0594 0.0000 173.1475 23 A 4.8072 7.6633 124.1174 51.0898 20.6245 175.6014 24 T 4.6586 8.1879 108.4549 61.0025 71.6513 173.8505 25 R 4.8198 8.3796 121.9959 53.6027 33.8792 175.7580 26 L 5.5461 7.6117 118.3233 52.8943 41.0454 176.4152 27 V 4.4067 7.6833 121.1862 63.0971 33.3994 175.7959 28 V 4.3412 8.2274 126.0568 61.2662 32.7563 173.9345 29 H 4.8163 9.0233 125.1374 55.1526 30.1457 174.5563 30 R 4.9556 8.4863 118.1164 54.7232 32.1342 174.9069 31 T 4.6810 8.9120 118.7888 60.9084 72.0669 173.1658 32 P 4.6218 0.0000 0.0000 64.2434 31.1973 176.8542 33 R 4.8934 8.1163 116.0216 56.4306 33.0053 174.8595 34 H 5.1065 7.7108 112.1922 53.9816 33.1487 171.3574 35 I 4.8582 8.1326 119.8720 59.4848 41.0788 173.3407 36 Y 5.1777 9.2678 129.3850 55.9048 42.7294 173.8638 37 A 5.0665 7.1516 124.7189 50.6057 23.3182 175.1180 38 Q 4.5482 8.6278 118.0563 54.0933 33.7341 174.4671 39 V 5.0751 7.6423 118.6925 60.5084 30.8979 174.4211 40 I 4.3806 7.6081 123.6469 60.7562 39.7304 174.7475 41 A 5.0141 8.5175 130.1597 49.1953 21.3805 174.6135 42 P 4.1065 0.0000 0.0000 63.4516 32.2748 175.2263 43 N 4.0197 9.2300 116.8519 53.1403 34.8872 175.6415 44 G 3.8006 8.1289 106.6927 44.6817 0.0000 171.1907 45 S 4.5666 8.1653 110.2717 57.1683 62.0789 174.0325 46 E 4.1479 7.7704 120.5546 55.2456 28.9878 176.3534 47 V 4.2368 8.0477 124.6162 61.5172 31.8739 175.8795 48 L 4.2010 8.1609 127.1327 57.3173 41.9456 177.8245 49 V 4.6810 7.2490 110.0460 59.9526 36.0929 173.8777 50 A 4.5461 8.3793 122.4628 51.3606 21.9363 175.5536 51 A 4.7315 7.7995 119.3516 50.8038 23.1551 175.6728 52 S 5.1276 9.1418 116.9427 56.9800 64.5862 175.2093 53 T 3.9429 8.4534 118.7465 64.9422 66.8605 177.0134 54 V 3.6387 7.6532 120.8970 64.5572 31.5936 177.8459 55 E 4.0876 8.1675 118.7877 58.3373 29.2192 178.7682 56 K 4.0238 7.8036 119.4404 58.9292 31.9343 178.4937 57 A 4.0905 7.5020 120.4289 54.9360 18.2769 178.5011 58 I 3.6530 7.5283 117.7562 64.5311 36.7158 176.8943 59 A 4.0352 7.1173 123.2435 52.0081 19.2266 176.6704 60 E 5.1948 7.2086 114.0678 55.4215 31.7293 176.4234 61 Q 4.5208 7.9110 120.6902 54.6896 31.1510 173.0016 62 L 4.4839 8.3158 124.5797 56.6068 44.0678 176.8398 63 K 4.1788 7.8145 115.4362 55.9330 32.8637 175.7051 64 Y 4.4552 8.5234 120.6693 58.6822 38.9525 175.8704 65 T 4.3409 6.9633 111.4332 61.3886 69.1514 174.4426 66 G 4.1581 7.6000 108.6542 46.2413 0.0000 172.5839 67 N 5.2026 8.0127 118.6167 50.5309 40.4230 174.1772 68 K 4.1129 8.6558 117.4439 59.9348 32.4327 178.9422 69 D 4.4332 8.1813 118.4332 56.1443 39.2062 178.0609 70 A 4.1693 8.6174 122.5718 54.6272 18.4271 179.3302 71 A 3.9581 7.9818 119.1706 54.9954 18.0059 179.5871 72 A 4.1283 7.9475 118.7528 54.8596 18.2118 179.5095 73 A 3.9556 7.5634 118.2935 55.1962 18.3616 180.0564 74 V 3.6472 7.8334 116.7484 65.9520 31.5916 178.5087 75 G 3.6252 7.8182 105.4388 47.7809 0.0000 175.8449 76 K 4.0728 7.8794 119.9939 58.7063 32.0139 179.5108 77 A 3.9113 7.5504 120.7390 55.1968 18.5929 179.7866 78 V 3.4688 8.0691 116.9560 66.0647 31.4748 178.1281 79 A 3.9975 7.9923 120.5655 54.9136 18.0370 179.1330 80 E 3.8545 7.9292 116.9529 59.6831 29.5005 179.1485 81 R 4.0483 8.2002 117.6591 58.7411 30.0085 178.9928 82 A 3.9614 7.7083 120.5078 55.1352 18.2382 179.4914 83 L 3.9024 7.8649 117.4264 57.9615 42.1639 178.2995 84 E 4.1057 7.5757 117.3199 57.9688 29.6147 178.2957 85 K 4.1815 7.9184 119.5563 59.8235 32.5347 176.4536 86 G 3.5552 7.3548 111.1186 45.1711 0.0000 172.1353 87 I 4.3209 7.1966 120.8805 59.4017 39.5316 174.0693 88 K 4.3805 8.4984 123.7477 57.9354 34.2221 176.1737 89 D 4.7802 7.5718 116.9835 53.4666 42.3328 176.1965 90 V 4.1733 7.4613 116.8102 61.2303 33.0829 171.8614 91 S 4.3327 7.9833 118.2751 56.8240 64.8635 172.5636 92 F 4.9314 8.0549 122.8676 56.9309 40.1328 175.4130 93 D 4.7735 8.9194 122.8856 52.2750 42.7389 172.8784 94 R 4.5341 8.3784 120.4311 53.7172 30.0101 175.2074 95 S 3.9597 8.6624 121.4943 59.3518 62.3347 171.8334 96 G 3.7511 8.6359 120.9857 45.8459 0.0000 171.2367 97 F 4.4696 7.9068 126.0305 57.6448 41.8961 172.9805 98 Q 3.8437 6.2939 121.3566 55.1043 30.6780 174.3987 99 Y 4.6977 7.7913 114.1147 57.8147 39.9402 175.5763 100 H 4.2378 9.1592 118.7666 57.0022 29.3752 177.0969 101 G 4.2377 7.6056 105.9471 45.2507 0.0000 174.5615 102 R 4.0723 8.9952 117.9882 58.9535 30.1935 179.0952 103 V 3.5323 7.6912 112.3399 64.1918 31.4838 178.0778 104 Q 3.8236 8.1176 118.7352 59.1455 28.8935 178.0142 105 A 3.9746 7.6150 121.1381 54.7566 18.4486 179.4657 106 L 3.9831 7.7710 119.0280 58.1564 42.1684 179.0439 107 A 3.8807 7.9598 120.8408 55.2013 17.7554 179.1687 108 D 4.2891 8.3557 116.5399 57.1742 41.2662 178.2337 109 A 4.1123 7.7592 121.3103 54.6227 18.4151 179.3956 110 A 4.0336 7.8473 119.1174 55.4915 17.9988 180.1387 111 R 4.5890 7.9657 117.5409 58.7955 29.9091 178.7996 112 E 3.6667 7.6899 117.0821 58.7385 29.5521 178.5889 113 A 4.3234 7.5919 119.6562 53.3386 18.9352 178.8078 114 G 4.8687 6.3088 117.1738 46.4483 0.0000 172.5090 115 L 4.7981 7.3210 126.0926 54.0004 41.7915 176.3861 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 3 K 8.30 4.26 0.00 1.76 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.38 7.81 4 K 8.22 4.10 0.00 1.94 1.82 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.53 7.81 5 S 8.72 4.36 0.00 3.88 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 6 A 8.43 4.21 1.28 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 7 R 8.49 3.87 0.00 1.77 2.02 0.00 3.27 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 8 I 7.67 3.89 1.88 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 1.65 1.30 0.92 0.00 0.00 9 R 7.85 4.00 0.00 2.06 1.98 0.00 3.30 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 10 R 8.19 4.02 0.00 1.94 2.00 0.00 3.15 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 11 A 7.74 4.41 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 12 T 7.58 3.44 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 1.22 0.00 0.00 13 R 7.64 4.05 0.00 1.97 2.06 0.00 3.12 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 14 A 7.64 4.42 1.28 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 15 R 7.97 4.33 0.00 1.95 2.06 0.00 3.14 0.00 0.00 3.39 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 16 R 8.54 4.08 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 17 K 7.95 4.70 0.00 1.80 1.83 0.00 1.65 0.00 0.00 2.37 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.66 7.81 18 L 7.29 4.45 0.00 1.75 1.67 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.80 4.35 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 20 E 8.07 3.75 0.00 2.19 2.21 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 2.45 2.36 0.00 21 L 7.79 3.89 0.00 1.59 1.71 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.81 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 23 A 7.66 4.81 1.18 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 0.00 0.00 0.00 24 T 8.19 4.66 4.21 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 1.19 0.00 0.00 25 R 8.38 4.82 0.00 1.78 1.81 0.00 3.14 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 26 L 7.61 5.55 0.00 1.60 1.75 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.68 4.41 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 0.96 0.00 0.00 1.00 0.00 0.00 28 V 8.23 4.34 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 0.76 0.00 0.00 0.94 0.00 0.00 29 H 9.02 4.82 0.00 3.30 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.49 4.96 0.00 1.66 1.66 0.00 2.96 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 31 T 8.91 4.68 4.51 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 1.23 0.00 0.00 32 P 0.00 4.62 0.00 2.22 2.20 0.00 3.71 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 2.01 2.01 0.00 33 R 8.12 4.89 0.00 1.62 1.71 0.00 3.07 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 34 H 7.71 5.11 0.00 3.09 3.08 0.00 5.56 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 35 I 8.13 4.86 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 1.30 1.71 0.90 0.00 0.00 36 Y 9.27 5.18 0.00 2.98 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 37 A 7.15 5.07 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 38 Q 8.63 4.55 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 39 V 7.64 5.08 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 1.33 0.00 0.00 0.88 0.00 0.00 40 I 7.61 4.38 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 1.43 1.47 0.91 0.00 0.00 41 A 8.52 5.01 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 42 P 0.00 4.11 0.00 2.04 2.05 0.00 3.79 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 2.09 2.14 0.00 43 N 9.23 4.02 0.00 2.88 2.89 0.00 0.00 7.07 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 44 G 8.13 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.17 4.57 0.00 3.86 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 46 E 7.77 4.15 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 2.51 2.23 0.00 47 V 8.05 4.24 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 0.82 0.00 0.00 0.96 0.00 0.00 48 L 8.16 4.20 0.00 1.68 1.68 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.25 4.68 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 0.80 0.00 0.00 0.89 0.00 0.00 50 A 8.38 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.80 4.73 1.17 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 52 S 9.14 5.13 0.00 4.25 3.89 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 53 T 8.45 3.94 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 54 V 7.65 3.64 1.75 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 0.77 0.00 0.00 0.85 0.00 0.00 55 E 8.17 4.09 0.00 2.23 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 0.00 2.34 2.33 0.00 56 K 7.80 4.02 0.00 1.82 1.99 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.49 7.81 57 A 7.50 4.09 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 58 I 7.53 3.65 1.97 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 0.68 0.91 0.00 0.00 59 A 7.12 4.04 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 60 E 7.21 5.19 0.00 1.89 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 2.04 2.11 0.00 61 Q 7.91 4.52 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 62 L 8.32 4.48 0.00 1.62 1.63 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.81 4.18 0.00 1.83 1.84 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.46 7.81 64 Y 8.52 4.46 0.00 2.97 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 65 T 6.96 4.34 4.13 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 0.00 0.00 0.00 1.13 0.00 0.00 66 G 7.60 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 0.00 0.00 0.00 0.00 67 N 8.01 5.20 0.00 2.90 2.95 0.00 0.00 6.21 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 68 K 8.66 4.11 0.00 1.86 1.84 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 69 D 8.18 4.43 0.00 2.91 2.94 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 0.00 0.00 0.00 70 A 8.62 4.17 1.38 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 71 A 7.98 3.96 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 72 A 7.95 4.13 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 73 A 7.56 3.96 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 74 V 7.83 3.65 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 1.03 0.00 0.00 0.97 0.00 0.00 75 G 7.82 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 0.00 0.00 0.00 76 K 7.88 4.07 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.69 7.81 77 A 7.55 3.91 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 78 V 8.07 3.47 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 0.89 0.00 0.00 0.88 0.00 0.00 79 A 7.99 4.00 1.41 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 0.00 0.00 80 E 7.93 3.85 0.00 2.23 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 0.00 2.32 2.49 0.00 81 R 8.20 4.05 0.00 1.88 1.94 0.00 3.15 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 82 A 7.71 3.96 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 83 L 7.86 3.90 0.00 1.62 1.86 0.91 0.84 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 84 E 7.58 4.11 0.00 2.01 2.15 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 2.31 2.34 0.00 85 K 7.92 4.18 0.00 1.76 2.00 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.48 7.81 86 G 7.35 3.56 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 0.00 0.00 0.00 87 I 7.20 4.32 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 1.38 0.79 0.93 0.00 0.00 88 K 8.50 4.38 0.00 1.84 1.76 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.46 7.81 89 D 7.57 4.78 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.46 4.17 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 0.46 0.00 0.00 0.87 0.00 0.00 91 S 7.98 4.33 0.00 3.75 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 92 F 8.05 4.93 0.00 3.04 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 93 D 8.92 4.77 0.00 2.78 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 94 R 8.38 4.53 0.00 1.86 1.96 0.00 3.23 0.00 0.00 3.29 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 95 S 8.66 3.96 0.00 3.91 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 96 G 8.64 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 0.00 0.00 0.00 97 F 7.91 4.47 0.00 2.86 2.90 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 98 Q 6.29 3.84 0.00 1.85 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.61 0.00 0.00 0.00 0.00 0.00 1.16 1.72 0.00 99 Y 7.79 4.70 0.00 3.04 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 0.00 100 H 9.16 4.24 0.00 3.27 3.43 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 7.61 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 0.00 0.00 0.00 0.00 102 R 9.00 4.07 0.00 1.82 1.94 0.00 3.32 0.00 0.00 3.52 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 103 V 7.69 3.53 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 0.26 0.00 0.00 1.16 0.00 0.00 104 Q 8.12 3.82 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 105 A 7.61 3.97 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 0.00 106 L 7.77 3.98 0.00 1.83 1.83 0.90 1.32 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 0.00 107 A 7.96 3.88 0.50 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 0.00 0.00 0.00 108 D 8.36 4.29 0.00 2.89 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 0.00 109 A 7.76 4.11 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 0.00 110 A 7.85 4.03 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 4.59 0.00 1.92 2.04 0.00 3.23 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 112 E 7.69 3.67 0.00 2.11 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 2.33 2.38 0.00 113 A 7.59 4.32 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 0.00 114 G 6.31 4.87 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 0.00 115 L 7.32 4.80 0.00 1.83 1.55 0.94 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00