NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 S 4.4990 8.3344 115.5518 58.4334 64.6907 172.1570 20 L 4.3820 7.6941 118.1802 52.6679 44.5191 171.7921 21 S 4.8028 9.4911 120.5117 56.6091 66.9920 172.3950 22 I 4.8406 8.3408 123.5632 60.3440 37.2615 175.9502 23 T 4.1428 8.8954 118.7394 63.7628 69.3523 175.7760 24 T 4.0443 7.7928 119.1899 62.8117 69.0425 172.1717 25 P 4.6016 0.0000 0.0000 61.6379 32.6751 175.3980 26 E 4.4489 8.7592 121.1571 56.2628 30.1524 175.5000 27 E 4.7890 8.6999 122.8959 55.7924 33.5856 172.9372 28 M 5.0906 8.5923 119.7880 53.9793 34.1534 174.5602 29 I 4.4683 8.9508 127.7121 59.7335 39.5400 174.2655 30 E 5.1038 8.7858 127.2697 54.4561 31.9265 174.7766 31 K 4.8375 8.9337 124.8739 54.5330 37.3670 175.5163 32 A 4.7464 8.9102 123.4811 50.8294 20.1436 177.2761 33 K 4.0065 8.5589 121.9550 58.3767 32.5731 177.5173 34 G 4.4237 9.1514 114.6441 44.7908 0.0000 173.1762 35 E 4.4534 7.9967 119.4239 55.9317 32.0432 174.9080 36 T 4.9985 8.3375 116.3241 62.1554 70.7080 174.2009 37 A 4.6020 8.8719 128.6064 50.5619 21.1077 174.9584 38 Y 4.8154 8.6003 124.3666 56.3464 40.3883 174.6883 39 L 4.4986 8.2888 127.8630 52.0776 43.5257 174.2029 40 P 4.3951 0.0000 0.0000 62.9896 32.7638 177.5409 41 C 4.7787 9.3118 122.1469 56.1543 46.4259 171.9352 42 K 5.4141 9.2331 125.5697 54.3213 34.5581 175.3168 43 F 5.6015 8.6501 118.3465 55.4746 41.4811 173.7683 44 T 4.8037 9.1976 109.6192 60.0230 72.0642 172.6677 45 L 5.2680 8.5517 122.1048 53.1971 44.6410 176.2031 46 S 4.6663 8.9635 116.5794 56.4561 64.9960 173.5087 47 P 4.2848 0.0000 0.0000 65.5025 31.1140 177.4980 48 E 4.2746 8.0366 113.2381 57.1059 30.0611 177.3319 49 D 4.8819 8.0208 122.2415 53.6686 39.0681 176.4032 50 Q 4.4937 7.9434 118.0033 55.5153 30.3686 176.3728 51 G 3.9411 7.9892 107.8523 43.5803 0.0000 171.3451 52 P 4.3729 0.0000 0.0000 62.1434 31.8649 175.8622 53 L 4.3626 8.4099 124.3186 55.3014 43.0976 175.4619 54 D 5.0273 9.2272 125.1941 52.7704 44.7560 173.9329 55 I 5.1798 9.1577 126.1816 59.7078 41.2176 174.3957 56 E 5.4050 9.3387 124.8369 54.5205 34.2775 174.4783 57 W 5.3301 9.0623 121.3703 55.0054 32.8486 174.6371 58 L 5.3011 9.0449 122.7577 52.9362 45.1781 175.1928 59 I 4.4941 8.5341 121.3071 59.3343 41.4303 174.5698 60 S 4.8178 8.7075 125.0983 55.8727 64.2891 171.5660 61 P 4.7812 0.0000 0.0000 62.1017 31.4924 176.6510 62 A 4.0375 8.9605 125.4236 54.1678 18.9040 178.0214 63 D 4.7388 7.9702 113.1131 53.7280 41.2560 174.8938 64 N 4.9670 7.6412 113.1010 51.8105 39.9826 173.8893 65 Q 4.4263 8.4229 116.0985 55.4615 29.2155 176.3858 66 K 4.2458 7.6874 117.9945 56.6746 33.4991 176.6227 67 V 4.4410 7.5156 113.2665 60.5033 35.5723 174.3026 68 D 4.3542 8.2140 118.2726 55.5408 38.9010 174.2275 69 Q 4.3356 7.8298 117.7876 54.9196 30.2603 176.4685 70 V 4.0060 8.4232 124.9499 63.1564 31.5058 175.3697 71 I 4.4842 8.3291 120.5868 61.6203 39.8443 175.4940 72 I 4.8536 7.2974 120.5263 60.0558 41.4743 172.8913 73 L 5.4697 9.4589 129.1684 53.9092 46.0544 173.7408 74 Y 5.5183 9.6655 127.3442 56.1459 41.3394 174.1888 75 S 4.1875 9.2071 120.0675 57.6807 66.6420 174.5562 76 G 3.6810 9.1456 113.8920 46.6880 0.0000 172.8792 77 D 4.3085 7.7608 113.8075 53.6161 39.9135 172.8900 78 K 4.6186 7.6001 115.2003 53.9334 35.2829 175.2032 79 I 4.9285 8.1523 122.7133 59.9951 38.7804 174.8612 80 Y 4.6310 9.4899 123.7886 56.5440 38.7524 174.2168 81 D 5.0169 8.2268 121.9518 55.0296 42.1724 177.9151 82 D 4.5034 8.0005 121.7911 55.5813 41.4359 177.0887 83 Y 3.8944 8.1793 119.8094 60.2625 39.0390 175.9763 84 Y 4.5584 8.0080 118.3690 56.1470 39.1343 174.8556 85 P 4.2073 0.0000 0.0000 65.5046 31.8439 176.4192 86 D 4.6066 7.4961 117.1014 55.1479 41.0402 175.8263 87 L 3.7233 8.8531 122.8965 55.1353 39.3905 174.3294 88 K 4.0406 7.7336 117.4480 58.4524 32.6128 177.5183 89 G 4.0275 9.2622 110.0166 45.9452 0.0000 173.8362 90 R 4.8482 8.5554 116.7097 53.9881 32.8596 175.0159 91 V 4.8085 7.5992 118.9212 60.0878 33.4308 174.8220 92 H 4.8563 8.6179 120.5703 53.7359 33.6231 172.9905 93 F 4.7948 8.6411 119.9925 58.2025 38.9312 175.6517 94 T 4.2574 8.9095 112.7247 63.5887 69.5658 175.6795 95 S 4.4148 7.9768 115.6722 57.6862 63.0437 173.2447 96 N 4.6841 8.5712 122.1982 53.5720 38.0814 175.2111 97 D 4.6397 8.1836 119.2516 52.0255 41.6178 175.1965 98 L 4.1591 7.7212 123.3738 56.4757 42.0781 179.6875 99 K 4.1980 7.8268 116.7622 58.6677 32.0413 177.6779 100 S 4.1834 7.8072 112.3162 58.7311 63.3145 174.7572 101 G 2.5487 8.0306 111.1401 45.0385 0.0000 172.7822 102 D 4.8099 7.8342 119.0497 52.3316 41.8721 174.7885 103 A 4.9384 9.1399 127.2746 51.7877 19.8796 177.0989 104 S 4.8527 8.8631 114.6267 59.7022 64.2589 173.4760 105 I 4.9890 8.1771 114.6485 59.2487 41.4525 173.6330 106 N 5.3652 8.8087 120.3695 51.5175 41.5298 173.9812 107 V 4.6337 8.7847 123.5986 61.3785 33.2268 174.9585 108 T 4.4341 9.0010 119.2715 60.4456 71.0609 173.7511 109 N 4.3767 8.4789 118.6998 54.0723 37.3981 173.9865 110 L 4.4104 8.1450 119.2888 55.6519 43.0123 177.3851 111 Q 4.9643 9.0991 121.5013 53.6449 31.8248 176.8733 112 L 4.0015 8.4433 120.0744 57.8987 41.8038 179.5785 113 S 4.3491 7.9801 111.3032 60.1411 63.1617 174.5419 114 D 4.6496 8.0309 120.4277 55.4310 41.3057 176.9548 115 I 4.0140 7.8619 121.9031 60.3197 37.8408 176.6356 116 G 3.7001 7.4907 110.7692 46.0792 0.0000 169.9909 117 T 5.0478 7.6816 116.6086 62.1969 70.7493 173.5321 118 Y 5.1330 9.2718 124.6032 56.2366 40.8373 174.4273 119 Q 4.9601 9.3868 125.5246 54.3830 32.1614 173.0704 120 C 3.7198 8.4676 127.3372 54.8230 45.7472 172.1270 121 K 4.9133 8.7529 125.9274 54.4758 34.8500 175.1306 122 V 4.5032 8.5542 125.2744 60.7336 34.2496 174.1064 123 K 4.8371 9.1044 128.8452 54.6815 35.8374 175.1477 124 K 4.8844 9.0539 127.9565 54.4595 34.3179 173.9557 125 A 4.3257 8.6190 127.8759 51.9246 19.0777 175.8294 126 P 4.5764 0.0000 0.0000 62.6425 32.4301 176.6005 127 G 3.7907 7.9116 109.2086 45.3888 0.0000 173.1750 128 V 5.0169 7.9270 114.0561 59.7155 35.7985 174.2985 129 A 4.8239 8.9109 124.7078 50.8946 22.9311 174.7437 130 N 5.3681 8.3882 115.5560 51.6125 40.8775 173.5839 131 K 4.5617 8.7195 119.8578 55.2966 36.2652 174.4830 132 K 5.1162 8.6504 125.3889 54.8852 34.9240 175.1142 133 I 4.8133 8.9899 124.4691 59.9132 40.8297 174.0441 134 H 5.3292 9.2112 124.1456 54.2304 31.0774 173.6275 135 L 5.1973 9.1842 125.3276 53.2073 44.8706 174.9935 136 V 4.7220 8.8418 126.0913 61.0155 34.4512 174.0356 137 V 4.9281 8.4805 127.1400 61.1939 33.4880 174.3910 138 L 4.6904 8.9367 128.2232 53.1474 43.9880 177.4083 139 V 3.8163 8.2529 114.7630 61.7629 31.6441 176.1680 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 19 S 8.33 4.50 0.00 3.89 3.96 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 20 L 7.69 4.38 0.00 1.68 1.48 0.83 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.49 4.80 0.00 3.92 3.91 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 22 I 8.34 4.84 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 1.04 0.00 0.00 23 T 8.90 4.14 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 1.23 0.00 0.00 24 T 7.79 4.04 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 1.34 0.00 0.00 25 P 0.00 4.60 0.00 2.20 2.06 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 26 E 8.76 4.45 0.00 2.02 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 2.38 2.46 0.00 27 E 8.70 4.79 0.00 2.08 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 0.00 2.45 2.35 0.00 28 M 8.59 5.09 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 29 I 8.95 4.47 1.84 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 0.90 0.00 0.00 30 E 8.79 5.10 0.00 1.94 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 2.18 2.31 0.00 31 K 8.93 4.84 0.00 1.66 1.75 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.51 7.81 32 A 8.91 4.75 1.24 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 33 K 8.56 4.01 0.00 1.71 1.75 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.55 7.81 34 G 9.15 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 35 E 8.00 4.45 0.00 2.07 1.91 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 2.30 2.28 0.00 36 T 8.34 5.00 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 37 A 8.87 4.60 1.11 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 0.00 0.00 38 Y 8.60 4.82 0.00 2.87 2.84 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 39 L 8.29 4.50 0.00 0.82 1.32 -0.06 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.40 0.00 2.11 2.04 0.00 3.73 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 41 C 9.31 4.78 0.00 3.12 3.27 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 42 K 9.23 5.41 0.00 1.76 1.64 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.42 7.81 43 F 8.65 5.60 0.00 3.05 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 44 T 9.20 4.80 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 1.20 0.00 0.00 45 L 8.55 5.27 0.00 1.58 1.66 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.96 4.67 0.00 3.99 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 47 P 0.00 4.28 0.00 2.07 2.17 0.00 3.68 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 2.03 2.09 0.00 48 E 8.04 4.27 0.00 2.07 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 2.27 2.27 0.00 49 D 8.02 4.88 0.00 2.88 2.75 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 50 Q 7.94 4.49 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 51 G 7.99 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 0.00 0.00 0.00 52 P 0.00 4.37 0.00 2.16 2.05 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 53 L 8.41 4.36 0.00 1.78 1.83 0.84 1.33 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 54 D 9.23 5.03 0.00 2.67 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 55 I 9.16 5.18 2.06 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 1.19 0.00 0.00 56 E 9.34 5.40 0.00 1.83 1.78 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 2.24 2.26 0.00 57 W 9.06 5.33 0.00 3.19 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 58 L 9.04 5.30 0.00 1.54 1.48 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.53 4.49 1.46 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.36 0.83 0.00 0.00 60 S 8.71 4.82 0.00 3.70 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 61 P 0.00 4.78 0.00 1.90 1.93 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 62 A 8.96 4.04 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 63 D 7.97 4.74 0.00 2.63 2.65 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 0.00 0.00 0.00 0.00 64 N 7.64 4.97 0.00 2.81 2.72 0.00 0.00 6.16 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 65 Q 8.42 4.43 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 66 K 7.69 4.25 0.00 1.85 1.79 0.00 1.50 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.43 7.81 67 V 7.52 4.44 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 0.75 0.00 0.00 0.91 0.00 0.00 68 D 8.21 4.35 0.00 2.82 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 69 Q 7.83 4.34 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 70 V 8.42 4.01 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 -0.13 0.00 0.00 0.79 0.00 0.00 71 I 8.33 4.48 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.96 0.00 0.00 72 I 7.30 4.85 1.73 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.26 0.74 0.00 0.00 73 L 9.46 5.47 0.00 1.87 1.85 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.67 5.52 0.00 3.03 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 75 S 9.21 4.19 0.00 4.05 3.69 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 76 G 9.15 3.68 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 0.00 0.00 0.00 77 D 7.76 4.31 0.00 2.78 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 78 K 7.60 4.62 0.00 1.62 1.21 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.48 7.81 79 I 8.15 4.93 2.00 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 1.83 0.84 1.22 0.00 0.00 80 Y 9.49 4.63 0.00 3.21 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 81 D 8.23 5.02 0.00 2.99 2.84 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 82 D 8.00 4.50 0.00 2.74 2.80 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 83 Y 8.18 3.89 0.00 2.90 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 4.56 0.00 3.36 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 85 P 0.00 4.21 0.00 2.22 2.28 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 86 D 7.50 4.61 0.00 2.79 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 87 L 8.85 3.72 0.00 1.93 1.73 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.73 4.04 0.00 1.90 2.02 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.40 7.81 89 G 9.26 4.03 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 0.00 0.00 0.00 90 R 8.56 4.85 0.00 1.71 2.04 0.00 3.30 0.00 0.00 3.32 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 91 V 7.60 4.81 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 0.67 0.00 0.00 0.65 0.00 0.00 92 H 8.62 4.86 0.00 3.14 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.64 4.79 0.00 3.03 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 94 T 8.91 4.26 4.39 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 1.37 0.00 0.00 95 S 7.98 4.41 0.00 4.08 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.57 4.68 0.00 2.84 2.91 0.00 0.00 5.77 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 97 D 8.18 4.64 0.00 2.66 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 98 L 7.72 4.16 0.00 1.11 1.29 -0.64 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.83 4.20 0.00 1.89 1.91 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.18 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.56 1.47 7.81 100 S 7.81 4.18 0.00 3.91 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 0.00 101 G 8.03 2.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.83 4.81 0.00 2.59 2.51 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 0.00 103 A 9.14 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.86 4.85 0.00 4.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.18 4.99 1.39 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.46 0.21 0.00 0.00 106 N 8.81 5.37 0.00 2.67 2.72 0.00 0.00 6.75 7.91 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 0.00 107 V 8.78 4.63 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 1.04 0.00 0.00 0.65 0.00 0.00 108 T 9.00 4.43 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 0.00 109 N 8.48 4.38 0.00 2.92 2.79 0.00 0.00 6.91 6.66 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 0.00 110 L 8.15 4.41 0.00 1.72 1.60 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 9.10 4.96 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 112 L 8.44 4.00 0.00 1.71 1.74 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.98 4.35 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 4.65 0.00 2.87 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 7.86 4.01 1.98 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 1.33 0.68 0.99 0.00 0.00 116 G 7.49 3.70 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 0.00 0.00 0.00 117 T 7.68 5.05 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 1.20 0.00 0.00 118 Y 9.27 5.13 0.00 3.23 3.25 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 0.00 119 Q 9.39 4.96 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 120 C 8.47 3.72 0.00 1.23 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 0.00 0.00 0.00 0.00 121 K 8.75 4.91 0.00 1.54 1.55 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.19 7.81 122 V 8.55 4.50 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 -0.06 0.00 0.00 0.55 0.00 0.00 123 K 9.10 4.84 0.00 1.70 1.51 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.45 7.81 124 K 9.05 4.88 0.00 1.79 1.61 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 125 A 8.62 4.33 1.25 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 0.00 0.00 0.00 126 P 0.00 4.58 0.00 2.17 2.15 0.00 3.87 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 1.94 1.95 0.00 127 G 7.91 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 0.00 128 V 7.93 5.02 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 0.67 0.00 0.00 0.90 0.00 0.00 129 A 8.91 4.82 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 0.00 130 N 8.39 5.37 0.00 2.61 2.63 0.00 0.00 5.79 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 0.00 131 K 8.72 4.56 0.00 1.79 1.49 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.44 7.81 132 K 8.65 5.12 0.00 1.71 1.60 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.41 7.81 133 I 8.99 4.81 2.08 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 1.48 1.40 0.97 0.00 0.00 134 H 9.21 5.33 0.00 3.12 3.27 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 9.18 5.20 0.00 1.60 1.66 0.85 0.55 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 0.00 136 V 8.84 4.72 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 0.91 0.00 0.00 0.97 0.00 0.00 137 V 8.48 4.93 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 0.90 0.00 0.00 1.01 0.00 0.00 138 L 8.94 4.69 0.00 1.59 1.55 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.25 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 0.66 0.00 0.00 0.93 0.00 0.00