NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3679 8.1076 123.6265 51.3541 18.9545 176.2791 3 S 3.5960 7.4310 113.0757 60.7168 64.1283 175.8145 4 K 3.8164 8.7002 120.2127 59.0301 33.2501 179.7166 5 R 3.8487 7.9422 117.9374 59.6803 30.1772 178.3490 6 I 3.5392 8.8567 120.4319 64.6623 36.6531 178.2502 7 H 4.1357 9.0802 118.2101 58.6824 28.4814 177.7507 8 K 4.0941 8.2569 121.4730 59.2244 31.6887 178.4743 9 E 4.0618 8.4653 119.6873 59.0735 29.4569 178.6106 10 L 4.2581 8.0706 120.1729 57.8657 42.1787 178.3959 11 N 4.2996 7.8811 115.2523 56.5635 38.6636 176.7234 12 D 4.4544 8.0978 120.0609 57.7900 41.0595 179.2694 13 L 4.0608 7.7905 118.3132 57.6628 41.3714 179.5707 14 A 3.9745 7.8012 119.9398 55.1379 18.6462 179.6728 15 R 4.0899 8.2563 112.4262 57.9244 30.5467 176.5510 16 D 4.6200 7.9019 117.4776 51.8270 42.5797 173.8451 17 P 4.6359 0.0000 0.0000 61.6949 32.2502 174.8702 18 P 4.4097 0.0000 0.0000 62.3034 31.9306 175.1682 19 A 4.1043 8.3210 122.1517 53.3525 19.0870 177.5381 20 Q 3.6765 9.0351 119.1352 56.7269 26.4289 172.4327 21 C 5.5894 7.6945 113.1874 57.5455 33.0073 173.3903 22 S 4.7693 8.4515 110.7673 58.0128 65.1987 174.1262 23 A 5.0725 8.1346 122.6638 51.2463 22.2735 175.0683 24 G 3.2966 8.0658 105.4559 44.8371 0.0000 171.0578 25 P 4.4882 0.0000 0.0000 61.9400 32.1479 176.9482 26 V 3.4013 8.7558 124.9942 64.9686 31.6153 176.9654 27 G 3.7911 9.3918 121.4629 46.4793 0.0000 172.5849 28 D 4.4689 9.2020 115.3600 55.6743 43.8708 175.3849 29 D 4.3309 8.2097 119.8203 54.8518 41.0772 177.0842 30 M 4.2953 8.4697 126.7542 58.3056 32.2974 177.4167 31 F 4.7345 8.0302 115.4732 58.4253 39.4919 174.1913 32 H 5.2055 8.4768 117.6863 54.3093 32.3386 172.4881 33 W 5.4312 9.6644 124.1820 54.8554 32.5085 175.0509 34 Q 5.2275 9.1066 119.9519 54.7650 31.0910 174.3421 35 A 5.2736 8.9136 121.7066 50.8531 23.3051 175.0804 36 T 5.1912 8.8147 109.5846 60.0986 72.5659 173.0978 37 I 4.8578 9.5675 125.4051 59.6729 40.7964 174.6310 38 M 4.6147 8.7789 128.4129 54.7332 32.2744 176.9119 39 G 4.1471 8.9597 112.5369 46.0105 0.0000 171.2349 40 P 4.5460 0.0000 0.0000 63.1318 31.7468 175.4342 41 N 4.8821 8.4477 116.2629 54.0236 39.5027 174.4372 42 D 4.6674 9.3601 117.8012 55.1388 38.7820 174.4350 43 S 4.8349 7.7484 111.6388 55.9362 65.9046 172.7982 44 P 4.2725 0.0000 0.0000 64.8338 31.1468 176.2041 45 Y 4.6296 7.6425 114.6673 56.9068 38.5794 175.1349 46 Q 4.6859 7.6295 122.1284 56.9135 29.4728 175.0575 47 G 4.2135 9.3124 116.1557 46.1693 0.0000 174.3812 48 G 3.7222 8.1036 106.6593 45.4028 0.0000 172.8369 49 V 4.6021 7.5587 119.8048 60.7626 33.3662 174.7554 50 F 4.8612 8.8739 126.3870 55.7154 42.0361 174.5390 51 F 5.4517 8.6724 120.7106 56.0618 41.8850 174.6828 52 L 5.2594 9.5906 122.1308 53.4220 46.6249 175.4752 53 T 4.9788 9.4081 117.9682 62.0751 71.4787 173.2588 54 I 4.5484 8.4049 127.9346 59.7787 39.5737 174.3115 55 H 5.2318 8.8254 128.2554 54.2326 31.8068 173.1934 56 F 4.2209 8.6370 126.6601 55.9102 38.7367 174.2325 57 P 4.2392 0.0000 0.0000 62.5879 31.5854 177.0004 58 T 3.9311 8.1175 107.0950 63.3354 69.1538 174.8597 59 D 4.9734 7.8983 121.8685 54.2105 41.1638 175.2805 60 Y 4.6393 7.5964 120.1919 57.3969 37.7900 173.7553 61 P 4.1460 0.0000 0.0000 62.4449 31.6305 177.5892 62 F 4.6967 7.8603 119.8814 59.8704 39.0146 175.5932 63 K 4.7237 7.3344 117.7060 53.3279 34.9073 174.2433 64 P 2.0000 0.0000 0.0000 61.0371 31.8770 173.8470 65 P 4.1596 0.0000 0.0000 61.8455 32.5525 175.4146 66 K 4.0349 8.2162 125.2489 55.9970 33.1598 175.4637 67 V 4.8394 8.2292 126.9910 61.0371 33.8934 174.3646 68 A 4.9189 8.6095 127.9876 50.3163 23.4000 174.9657 69 F 4.7728 9.2584 120.4510 57.6503 39.4490 176.9514 70 T 4.0994 9.3141 122.3449 66.8304 68.8696 176.2066 71 T 4.3069 8.2129 116.6175 63.1274 69.3076 174.7171 72 R 4.2371 8.3721 123.8316 56.6456 30.7872 176.0427 73 I 4.7059 8.1894 117.8283 60.6633 40.6491 174.1758 74 Y 3.6810 8.6345 129.2237 56.0762 37.5524 173.1289 75 H 4.8175 7.5468 124.0397 53.1296 33.3755 172.5418 76 P 4.2146 0.0000 0.0000 64.9227 31.5040 177.1851 77 N 5.0084 8.2850 115.3189 52.6603 39.0330 173.7265 78 I 5.1692 7.6386 118.4448 58.6129 39.8582 175.0866 79 N 4.7356 8.5074 123.8711 51.3261 39.3223 174.9616 80 S 4.3500 8.7650 111.7688 61.9836 62.6267 176.0717 81 N 4.6362 8.8855 117.3647 52.7915 37.8629 175.4157 82 G 5.0948 8.0393 104.7681 45.6025 0.0000 174.0539 83 S 4.9037 7.5911 113.9883 57.4177 64.9324 173.4942 84 I 4.7823 8.1399 122.5291 59.8346 39.5430 176.1028 85 S 4.5081 8.8216 123.5578 56.7317 61.4547 171.5034 86 L 4.6067 7.8348 124.9183 52.6965 44.0372 175.7619 87 D 4.3722 8.8226 126.4542 57.7950 41.4767 179.0123 88 I 4.3795 7.8336 111.4059 63.2715 37.3994 177.3747 89 L 4.3215 7.8659 118.9846 55.9685 41.1678 176.7160 90 R 4.4463 8.7233 115.9333 55.5376 32.9764 175.5205 91 S 4.6610 8.0860 116.6766 58.7391 64.1369 174.6843 92 Q 4.6118 7.8743 122.1977 55.5377 29.4596 173.8885 93 W 4.7693 8.1782 125.0189 55.4290 31.8809 175.2254 94 S 4.3391 6.8518 118.2008 55.3582 64.8264 172.9613 95 P 4.1487 0.0000 0.0000 64.7133 31.2596 177.6471 96 A 3.9929 7.3830 120.6869 54.1313 18.6166 178.1783 97 L 4.0330 6.8124 115.1923 54.8538 42.3227 177.0195 98 K 4.9961 8.1171 119.0803 54.1523 37.0857 177.6571 99 I 3.8039 11.1000 122.0648 64.6932 36.9816 178.8819 100 S 4.2385 8.2709 114.6007 61.6356 62.5372 176.7815 101 K 3.9782 7.9168 121.3699 59.0455 31.8546 179.1855 102 V 3.6040 7.8347 118.4836 66.1832 31.5914 177.9341 103 L 3.9599 8.5148 118.8228 57.9258 41.5937 179.6244 104 L 4.0482 8.1687 118.8437 57.9352 41.6490 179.7927 105 S 4.1722 8.4845 115.5356 61.7166 62.5645 176.8583 106 I 3.8203 7.8630 121.6811 64.1028 37.0231 178.1956 107 C 4.2930 7.8426 117.5211 63.0352 27.6937 176.0419 108 S 4.1580 7.9022 116.2426 61.6551 62.1598 176.5722 109 L 3.9681 7.6505 121.7788 58.1100 41.8201 178.7221 110 L 4.0373 7.7394 117.8943 56.9680 41.5918 178.6241 111 C 4.6775 7.8051 115.6884 60.8959 29.3430 173.5050 112 D 4.7505 8.9167 121.7411 51.2652 41.3492 173.7566 113 P 4.4009 0.0000 0.0000 62.5347 32.3337 176.8712 114 N 4.8620 8.4706 118.4604 50.5394 37.8687 173.7763 115 P 4.1499 0.0000 0.0000 65.4777 31.8939 177.1958 116 D 4.7865 7.9676 114.8507 54.5216 41.0859 176.7184 117 D 4.7259 7.7398 119.0040 52.5148 41.8983 172.8707 118 P 4.6715 0.0000 0.0000 62.5614 32.9587 175.4079 119 L 4.4203 8.6043 117.4898 56.4745 43.7093 177.5775 120 V 4.0609 7.2675 122.5435 60.1174 30.3712 173.7060 121 P 4.1681 0.0000 0.0000 65.7010 30.9991 177.5039 122 E 3.8838 8.2356 119.2433 59.1366 29.5721 179.0944 123 I 3.8138 7.6846 118.5616 63.9389 36.6514 178.0989 124 A 3.9345 7.8666 122.0180 55.0356 18.1316 179.6053 125 R 3.8601 8.4715 117.5694 59.6950 30.0874 178.6519 126 I 3.7006 7.8008 119.6865 64.6678 37.0631 177.7038 127 Y 3.9988 7.9473 119.8017 60.5081 38.4848 177.7207 128 K 3.9227 7.5526 117.3811 60.0194 32.4278 178.7149 129 T 4.0487 8.1754 109.4726 61.5323 69.3214 173.9381 130 D 4.6249 7.2864 128.8280 51.4940 41.4324 177.1031 131 R 3.9852 8.2422 127.2045 58.4728 30.2803 177.2159 132 E 3.9437 8.2542 117.8836 59.5707 29.4691 178.8926 133 K 3.7752 8.0899 119.1948 60.5770 32.2898 177.1383 134 Y 4.1855 7.8255 117.2838 61.1925 38.5496 177.8482 135 N 3.9917 8.7222 115.9224 56.6648 38.9865 176.8481 136 R 3.7705 7.8256 119.2338 60.0246 30.1685 178.4375 137 I 3.4688 7.6956 118.8291 64.0062 36.7556 178.4026 138 A 3.7384 7.2180 121.3845 54.9632 18.2451 179.5748 139 R 3.7293 7.7301 116.5346 59.6059 30.1828 179.2305 140 E 3.9151 8.1525 118.0897 59.2148 29.5703 179.4161 141 W 3.9895 8.3692 118.9615 60.1099 28.7633 178.7688 142 T 4.1742 9.0800 116.9338 66.8468 67.7183 176.5434 143 Q 4.0645 8.1440 118.5482 57.3994 28.7534 177.5486 144 K 4.0347 7.3280 119.2410 58.3608 33.0410 177.0677 145 Y 4.6035 7.8950 114.4277 59.2776 39.1202 177.3505 146 A 4.0276 7.9118 121.1630 53.2571 18.6036 177.2868 147 M 4.1712 7.8150 120.9859 55.4531 32.5552 175.6324 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 A 8.11 4.37 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 3 S 7.43 3.60 0.00 4.11 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 4 K 8.70 3.82 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.53 7.81 5 R 7.94 3.85 0.00 1.91 2.05 0.00 3.28 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 1.51 1.95 0.00 6 I 8.86 3.54 1.75 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.78 0.60 0.00 0.00 7 H 9.08 4.14 0.00 3.23 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.26 4.09 0.00 1.94 1.82 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 9 E 8.47 4.06 0.00 2.28 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 2.43 2.43 0.00 10 L 8.07 4.26 0.00 2.01 1.86 0.47 0.45 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 11 N 7.88 4.30 0.00 3.03 2.87 0.00 0.00 6.98 7.96 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 12 D 8.10 4.45 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.06 0.00 2.01 1.80 1.28 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.80 3.97 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 15 R 8.26 4.09 0.00 1.92 2.08 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 1.64 1.92 0.00 16 D 7.90 4.62 0.00 2.64 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 17 P 0.00 4.64 0.00 2.24 2.17 0.00 3.45 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 18 P 0.00 4.41 0.00 2.28 2.28 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 19 A 8.32 4.10 1.29 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 20 Q 9.04 3.68 0.00 2.30 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 21 C 7.69 5.59 0.00 2.91 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 22 S 8.45 4.77 0.00 3.87 3.94 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 23 A 8.13 5.07 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 24 G 8.07 3.30 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 0.00 0.00 0.00 0.00 25 P 0.00 4.49 0.00 1.66 1.74 0.00 3.16 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.79 0.00 26 V 8.76 3.40 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 0.70 0.00 0.00 1.01 0.00 0.00 27 G 9.39 3.79 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 0.00 0.00 0.00 28 D 9.20 4.47 0.00 2.61 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 29 D 8.21 4.33 0.00 2.82 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 30 M 8.47 4.30 0.00 1.79 1.59 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 31 F 8.03 4.73 0.00 3.06 3.14 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 32 H 8.48 5.21 0.00 3.27 3.26 0.00 5.76 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 33 W 9.66 5.43 0.00 3.19 3.18 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 34 Q 9.11 5.23 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 35 A 8.91 5.27 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 36 T 8.81 5.19 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 1.58 0.00 0.00 37 I 9.57 4.86 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 1.00 0.00 0.00 38 M 8.78 4.61 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 39 G 8.96 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 40 P 0.00 4.55 0.00 2.30 2.28 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 41 N 8.45 4.88 0.00 2.76 2.93 0.00 0.00 7.03 8.06 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 42 D 9.36 4.67 0.00 2.89 2.87 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 43 S 7.75 4.83 0.00 4.24 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 44 P 0.00 4.27 0.00 1.71 2.21 0.00 3.97 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.11 0.00 45 Y 7.64 4.63 0.00 3.30 3.37 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 46 Q 7.63 4.69 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.06 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 47 G 9.31 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 0.00 0.00 0.00 0.00 48 G 8.10 3.72 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 0.00 0.00 0.00 49 V 7.56 4.60 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 0.38 0.00 0.00 0.85 0.00 0.00 50 F 8.87 4.86 0.00 3.15 3.22 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 0.00 0.00 0.00 51 F 8.67 5.45 0.00 3.11 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 52 L 9.59 5.26 0.00 1.39 1.38 0.60 -1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.41 4.98 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 54 I 8.40 4.55 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 0.90 0.68 -0.05 0.00 0.00 55 H 8.83 5.23 0.00 3.13 3.06 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.64 4.22 0.00 3.01 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 57 P 0.00 4.24 0.00 2.16 2.08 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 58 T 8.12 3.93 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 1.02 0.00 0.00 59 D 7.90 4.97 0.00 2.83 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 60 Y 7.60 4.64 0.00 3.00 2.98 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 61 P 0.00 4.15 0.00 1.92 1.09 0.00 2.53 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 62 F 7.86 4.70 0.00 3.26 3.15 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 63 K 7.33 4.72 0.00 1.71 1.60 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 64 P 0.00 2.00 0.00 1.59 0.92 0.00 3.49 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 65 P 0.00 4.16 0.00 1.26 1.36 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 66 K 8.22 4.03 0.00 1.71 1.60 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.47 7.81 67 V 8.23 4.84 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 0.68 0.00 0.00 0.75 0.00 0.00 68 A 8.61 4.92 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 69 F 9.26 4.77 0.00 2.95 3.19 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 70 T 9.31 4.10 4.53 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 1.29 0.00 0.00 71 T 8.21 4.31 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 1.52 0.00 0.00 72 R 8.37 4.24 0.00 1.19 1.57 0.00 3.55 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.00 73 I 8.19 4.71 1.71 0.00 0.00 -0.33 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 0.66 0.52 0.00 0.00 74 Y 8.63 3.68 0.00 1.43 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 75 H 7.55 4.82 0.00 3.05 2.79 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.21 0.00 2.06 2.06 0.00 3.29 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 1.75 1.31 0.00 77 N 8.28 5.01 0.00 2.68 2.74 0.00 0.00 6.90 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 78 I 7.64 5.17 1.56 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.27 0.73 0.00 0.00 79 N 8.51 4.74 0.00 2.81 2.84 0.00 0.00 6.30 7.64 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 80 S 8.77 4.35 0.00 4.08 4.27 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 81 N 8.89 4.64 0.00 2.85 2.87 0.00 0.00 7.02 9.21 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 82 G 8.04 5.09 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 0.00 0.00 0.00 83 S 7.59 4.90 0.00 3.66 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 4.78 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 1.41 0.75 0.92 0.00 0.00 85 S 8.82 4.51 0.00 3.95 3.76 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 0.00 0.00 0.00 0.00 86 L 7.83 4.61 0.00 1.68 1.44 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.82 4.37 0.00 2.85 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 88 I 7.83 4.38 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.95 0.00 0.00 89 L 7.87 4.32 0.00 1.92 1.70 0.87 0.84 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 90 R 8.72 4.45 0.00 1.76 1.74 0.00 3.14 0.00 0.00 3.27 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 91 S 8.09 4.66 0.00 4.00 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 92 Q 7.87 4.61 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.10 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 93 W 8.18 4.77 0.00 3.72 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 94 S 6.85 4.34 0.00 3.59 3.24 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 95 P 0.00 4.15 0.00 1.92 1.93 0.00 3.53 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 2.01 2.10 0.00 96 A 7.38 3.99 1.13 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 0.00 0.00 0.00 97 L 6.81 4.03 0.00 0.82 1.50 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.12 5.00 0.00 1.79 1.79 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.62 7.81 99 I 11.10 3.80 2.01 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.86 1.00 0.00 0.00 100 S 8.27 4.24 0.00 4.09 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 0.00 101 K 7.92 3.98 0.00 1.99 1.91 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.52 7.81 102 V 7.83 3.60 2.28 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 1.11 0.00 0.00 1.18 0.00 0.00 103 L 8.51 3.96 0.00 1.80 1.73 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.17 4.05 0.00 1.95 1.74 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.48 4.17 0.00 4.12 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 0.00 106 I 7.86 3.82 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.59 0.93 0.00 0.00 107 C 7.84 4.29 0.00 3.25 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 0.00 108 S 7.90 4.16 0.00 4.03 3.94 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 0.00 109 L 7.65 3.97 0.00 1.77 1.86 0.90 0.85 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 0.00 110 L 7.74 4.04 0.00 1.70 1.23 0.73 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.81 4.68 0.00 3.09 3.03 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 0.00 0.00 0.00 112 D 8.92 4.75 0.00 2.44 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.40 0.00 1.30 1.51 0.00 3.59 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 1.43 1.99 0.00 114 N 8.47 4.86 0.00 2.70 2.88 0.00 0.00 7.35 7.74 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 0.00 115 P 0.00 4.15 0.00 2.10 2.24 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.01 0.00 116 D 7.97 4.79 0.00 2.66 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 0.00 117 D 7.74 4.73 0.00 2.61 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 0.00 118 P 0.00 4.67 0.00 2.13 2.18 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 119 L 8.60 4.42 0.00 1.50 1.60 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.27 4.06 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 0.91 0.00 0.00 0.90 0.00 0.00 121 P 0.00 4.17 0.00 2.29 2.31 0.00 3.75 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 2.08 2.05 0.00 122 E 8.24 3.88 0.00 2.06 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 2.45 2.49 0.00 123 I 7.68 3.81 1.70 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.53 0.45 0.00 0.00 124 A 7.87 3.93 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 0.00 125 R 8.47 3.86 0.00 1.88 1.95 0.00 3.15 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 126 I 7.80 3.70 2.17 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.08 1.09 0.00 0.00 127 Y 7.95 4.00 0.00 3.01 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 0.00 128 K 7.55 3.92 0.00 1.80 1.81 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.60 7.81 129 T 8.18 4.05 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 1.27 0.00 0.00 130 D 7.29 4.62 0.00 2.79 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 0.00 131 R 8.24 3.99 0.00 1.72 1.81 0.00 3.09 0.00 0.00 2.97 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 132 E 8.25 3.94 0.00 2.18 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 2.40 2.34 0.00 133 K 8.09 3.78 0.00 2.13 1.99 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.47 7.81 134 Y 7.83 4.19 0.00 3.35 3.28 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 0.00 135 N 8.72 3.99 0.00 2.99 2.89 0.00 0.00 6.79 7.39 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 0.00 136 R 7.83 3.77 0.00 1.86 2.06 0.00 3.08 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 137 I 7.70 3.47 0.91 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 -0.44 0.00 0.00 138 A 7.22 3.74 0.72 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 0.00 0.00 139 R 7.73 3.73 0.00 1.94 1.96 0.00 3.08 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 140 E 8.15 3.92 0.00 2.24 1.98 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 2.28 2.59 0.00 141 W 8.37 3.99 0.00 3.39 3.57 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 0.00 142 T 9.08 4.17 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 1.35 0.00 0.00 143 Q 8.14 4.06 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 144 K 7.33 4.03 0.00 1.43 1.21 0.00 0.86 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.36 1.01 7.81 145 Y 7.89 4.60 0.00 3.04 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 0.00 146 A 7.91 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 M 7.81 4.17 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.43 0.00