NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4144 8.3044 118.1951 54.6301 32.9705 174.4439 1 I 3.8367 7.7104 120.1576 60.2451 38.6005 173.3109 2 Q 4.9172 9.4920 127.7551 54.1746 31.8405 174.4602 3 R 4.7666 8.7447 121.8050 54.3696 33.5038 175.5158 4 T 4.4372 8.7784 120.8886 63.0597 69.3323 172.1785 5 P 5.0861 0.0000 0.0000 62.1025 33.2387 175.2169 6 K 4.5110 9.0394 122.0652 55.6767 33.7245 175.6832 7 I 5.0167 8.3754 124.7195 59.6921 40.0563 175.1087 8 Q 4.6782 8.8440 124.1807 54.3772 32.8635 173.9863 9 V 4.9637 8.6844 124.3905 61.4488 33.4287 174.0123 10 Y 5.3419 8.2351 124.8180 56.5099 41.6768 173.4208 11 S 5.0083 9.0012 114.6582 57.2041 64.7166 174.3736 12 R 4.1157 8.6941 122.5344 59.7897 29.9069 176.6228 13 H 5.0110 8.2130 113.5446 53.1313 30.8620 173.0277 14 P 4.3830 0.0000 0.0000 62.3110 31.5519 176.5801 15 A 4.0731 8.7394 125.8130 53.1527 18.7815 176.8304 16 E 4.3727 8.7631 121.0144 55.3118 30.8766 173.9520 17 N 4.4134 8.8549 124.1463 55.7195 38.8209 173.8982 18 G 4.0021 8.6331 111.3342 45.3930 0.0000 173.4206 19 K 4.1529 7.7945 119.3129 55.2076 31.7465 176.8876 20 S 4.0305 8.2586 120.2745 59.4607 63.8698 174.2399 21 N 4.9491 8.1728 119.3463 53.4258 42.6867 172.3857 22 F 5.2046 10.9066 114.8335 55.9978 43.5986 173.7123 23 L 3.9063 8.7152 125.6768 53.6227 43.5980 174.9034 24 N 5.4178 8.5716 123.0565 51.4894 42.3845 172.8030 25 C 5.1008 8.9954 121.5547 55.2684 43.7502 172.0993 26 Y 5.3779 9.4270 129.2455 56.4093 40.0768 174.2212 27 V 5.1667 8.7059 120.9505 59.1191 34.2152 175.6097 28 S 5.0198 8.5285 118.0246 58.1621 66.5840 174.8655 29 G 4.1517 8.7953 106.4479 46.7703 0.0000 173.5186 30 F 5.5237 7.5208 114.8382 55.4225 40.9818 174.0523 31 H 5.0285 8.4146 114.6133 54.7541 32.8996 171.7813 32 P 4.5151 0.0000 0.0000 62.2759 31.8981 176.2705 33 S 3.4214 8.2843 113.6989 60.9282 62.8089 174.8663 34 D 4.3849 7.7495 119.0006 54.8459 41.0638 175.7449 35 I 4.1264 7.6024 117.8242 60.5849 40.9792 172.5671 36 E 4.6645 8.4475 129.1041 54.6582 31.7855 175.2132 37 V 4.6163 7.9392 123.1342 61.2553 34.4767 173.9468 38 D 4.9003 8.8828 126.3967 52.4852 45.5298 174.2533 39 L 5.0305 8.3643 120.6429 53.1169 44.4389 175.2467 40 L 5.1751 9.3122 123.5446 53.0588 44.7775 175.5916 41 K 4.3349 8.7353 125.3869 54.3293 32.8062 174.9616 42 N 3.9570 9.4440 127.9710 53.7239 35.7420 176.1715 43 G 4.0628 7.9892 107.3306 45.9773 0.0000 172.7635 44 E 4.3355 7.8298 118.9669 55.4551 30.7360 175.1196 45 R 4.8719 8.0645 118.7584 54.3774 31.5265 176.5372 46 I 3.8093 8.6281 125.2575 61.0744 36.4662 175.3681 47 E 3.6633 8.3554 125.8878 60.1716 29.7388 177.8955 48 K 4.0886 7.6505 131.3126 56.1807 31.2882 175.9741 49 V 4.4082 7.8712 124.3420 60.9687 34.0197 174.5828 50 E 4.4933 8.2808 127.4617 55.5972 31.5327 174.8736 51 H 5.2461 7.8514 115.5159 53.7530 31.8389 173.0501 52 S 4.6117 8.8764 115.5271 57.8001 64.3520 173.3718 53 D 4.5206 8.4872 120.1872 53.4287 41.2554 176.2934 54 L 3.9991 8.5613 125.2542 56.2907 42.7157 175.8703 55 S 4.7267 8.2105 120.1883 56.9968 66.6999 171.8501 56 F 5.2833 7.4714 115.0882 55.5579 41.1339 174.5602 57 S 4.7026 9.0269 116.8201 57.2985 64.3810 175.4484 58 K 3.7041 8.3296 119.6983 59.1544 31.7531 177.8667 59 D 4.3618 7.7817 116.3674 52.9131 39.5084 177.1857 60 W 3.7851 7.5337 119.5332 56.6151 28.1057 174.7329 61 S 4.3523 8.4560 114.5998 58.2194 63.9628 174.2431 62 F 4.9172 8.3807 121.4850 57.5563 40.2322 173.9418 63 Y 5.6342 8.2054 116.7255 56.2655 41.5403 173.8280 64 L 5.2818 10.0532 121.0137 53.3317 47.1883 174.7756 65 L 5.5382 8.6662 122.8626 53.8329 45.1412 174.7788 66 Y 5.2530 9.2824 124.2787 56.7551 41.2246 174.3336 67 Y 5.8849 8.4458 118.7591 57.4480 41.8471 173.2905 68 T 4.9329 8.2881 114.8413 60.4945 71.2940 172.5367 69 E 4.0516 8.6356 126.9101 56.5068 30.3638 176.1297 70 F 4.8381 8.5750 116.4956 56.1065 41.7139 172.8886 71 T 4.3575 8.0843 110.7824 59.0001 70.3957 172.0545 72 P 4.6709 0.0000 0.0000 63.1481 33.0175 175.5272 73 T 4.7373 8.5781 108.8499 60.5847 71.2780 174.3605 74 E 4.0850 9.1737 125.2279 59.4103 29.7581 178.6384 75 K 4.2100 7.6584 115.5821 59.1048 33.3065 177.5842 76 D 4.4693 8.0776 119.0128 53.8885 41.4566 174.9915 77 E 4.7228 9.2073 124.8103 54.8684 31.5499 174.1080 78 Y 5.4355 8.7547 124.0038 56.6466 41.5170 174.5449 79 A 4.9667 8.8412 122.2932 51.4983 23.6951 174.0615 80 C 5.0249 9.2921 120.2168 55.0026 47.2763 172.5684 81 R 4.7092 8.9986 126.8892 54.7763 31.9286 174.1580 82 V 4.7399 8.4408 127.1205 60.9765 34.3813 173.7822 83 N 5.2210 9.2410 126.0430 52.0860 41.8890 172.4217 84 H 5.2958 8.6021 124.4289 54.1735 33.4242 174.2822 85 V 3.0932 8.4260 123.3759 64.4226 31.0739 176.6590 86 T 4.2835 7.9183 113.0828 62.2590 67.4562 173.6060 87 L 4.7674 8.5915 122.8429 53.5428 43.4663 177.8447 88 S 3.8703 8.7833 119.5239 61.1892 63.0142 173.6461 89 Q 4.4861 7.0979 115.6930 54.3801 31.1888 171.5813 90 P 4.4510 0.0000 0.0000 63.0034 32.1282 175.9496 91 K 4.4004 8.9302 125.6110 55.1051 33.9244 175.0224 92 I 4.7741 8.4369 128.4601 59.8348 39.0258 174.9494 93 V 4.4519 8.4263 128.6835 60.8238 33.2951 174.7228 94 K 4.7344 8.6486 127.5991 55.5231 34.2039 176.2832 95 W 4.3899 9.2680 134.4273 57.8433 31.1118 175.3117 96 D 4.3847 8.5896 128.6478 52.0466 39.7076 175.8751 97 R 3.3387 6.8033 123.4198 57.5776 29.1734 178.4139 98 D 3.7603 7.2183 117.1897 53.0661 40.6170 177.0906 99 M 3.5642 8.0223 125.3852 54.8809 32.6133 176.9474 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 4.41 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 -0.23 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 I 7.71 3.84 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.83 0.00 0.00 2 Q 9.49 4.92 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.46 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 3 R 8.74 4.77 0.00 1.84 2.00 0.00 3.18 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 4 T 8.78 4.44 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 1.23 0.00 0.00 5 P 0.00 5.09 0.00 1.92 1.81 0.00 3.73 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 6 K 9.04 4.51 0.00 1.75 1.81 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 7 I 8.38 5.02 1.90 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 1.31 0.43 0.95 0.00 0.00 8 Q 8.84 4.68 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 9 V 8.68 4.96 2.32 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 0.94 0.00 0.00 1.07 0.00 0.00 10 Y 8.24 5.34 0.00 3.24 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 11 S 9.00 5.01 0.00 4.10 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 12 R 8.69 4.12 0.00 1.78 2.09 0.00 2.89 0.00 0.00 3.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.49 0.00 13 H 8.21 5.01 0.00 3.27 3.24 0.00 5.76 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 14 P 0.00 4.38 0.00 2.10 2.07 0.00 3.80 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 2.16 0.00 15 A 8.74 4.07 1.59 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 0.00 0.00 16 E 8.76 4.37 0.00 2.18 1.80 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 2.28 2.37 0.00 17 N 8.85 4.41 0.00 2.74 2.83 0.00 0.00 7.45 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 8.63 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 0.00 0.00 0.00 19 K 7.79 4.15 0.00 1.87 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.39 7.81 20 S 8.26 4.03 0.00 3.80 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 21 N 8.17 4.95 0.00 2.72 2.42 0.00 0.00 7.06 7.06 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 22 F 10.91 5.20 0.00 3.02 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 23 L 8.72 3.91 0.00 0.27 0.84 -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.57 5.42 0.00 1.83 1.72 0.00 0.00 6.11 7.20 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 25 C 9.00 5.10 0.00 2.93 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 26 Y 9.43 5.38 0.00 3.39 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 27 V 8.71 5.17 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 0.42 0.00 0.00 1.06 0.00 0.00 28 S 8.53 5.02 0.00 3.89 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 29 G 8.80 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 7.52 5.52 0.00 3.03 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 31 H 8.41 5.03 0.00 3.26 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.64 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 4.52 0.00 2.07 2.09 0.00 3.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 33 S 8.28 3.42 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 7.75 4.38 0.00 2.64 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 35 I 7.60 4.13 1.78 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.39 0.92 0.00 0.00 36 E 8.45 4.66 0.00 1.87 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 0.00 2.19 2.17 0.00 37 V 7.94 4.62 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.49 0.00 0.00 38 D 8.88 4.90 0.00 2.51 2.42 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 39 L 8.36 5.03 0.00 1.54 1.48 0.84 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.31 5.18 0.00 1.54 1.67 0.91 0.71 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 41 K 8.74 4.33 0.00 1.79 1.69 0.00 2.09 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.18 1.04 7.81 42 N 9.44 3.96 0.00 2.83 2.80 0.00 0.00 6.82 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.99 4.06 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 0.00 0.00 0.00 44 E 7.83 4.34 0.00 2.20 1.88 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 2.29 2.26 0.00 45 R 8.06 4.87 0.00 1.77 1.83 0.00 3.38 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 46 I 8.63 3.81 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.91 0.00 0.00 47 E 8.36 3.66 0.00 1.95 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 2.32 2.32 0.00 48 K 7.65 4.09 0.00 1.70 1.74 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 49 V 7.87 4.41 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 0.94 0.00 0.00 0.95 0.00 0.00 50 E 8.28 4.49 0.00 1.16 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 2.13 2.10 0.00 51 H 7.85 5.25 0.00 2.06 2.09 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 8.88 4.61 0.00 3.96 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 53 D 8.49 4.52 0.00 2.71 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 54 L 8.56 4.00 0.00 1.66 1.67 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.21 4.73 0.00 3.79 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 56 F 7.47 5.28 0.00 2.92 2.40 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 57 S 9.03 4.70 0.00 3.95 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 58 K 8.33 3.70 0.00 1.61 1.67 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.17 1.28 7.81 59 D 7.78 4.36 0.00 2.76 2.70 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 60 W 7.53 3.79 0.00 3.36 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 61 S 8.46 4.35 0.00 3.90 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 62 F 8.38 4.92 0.00 1.68 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 63 Y 8.21 5.63 0.00 3.09 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 64 L 10.05 5.28 0.00 1.92 1.86 1.05 0.45 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 65 L 8.67 5.54 0.00 2.01 1.67 1.12 0.84 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 66 Y 9.28 5.25 0.00 2.99 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 67 Y 8.45 5.88 0.00 3.10 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 8.29 4.93 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 1.08 0.00 0.00 69 E 8.64 4.05 0.00 1.69 1.59 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 1.47 1.47 0.00 70 F 8.57 4.84 0.00 2.81 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 71 T 8.08 4.36 4.10 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 1.08 0.00 0.00 72 P 0.00 4.67 0.00 2.12 2.28 0.00 3.42 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.31 0.00 73 T 8.58 4.74 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 1.38 0.00 0.00 74 E 9.17 4.08 0.00 2.00 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 0.00 2.36 2.37 0.00 75 K 7.66 4.21 0.00 1.92 1.95 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.44 7.81 76 D 8.08 4.47 0.00 2.86 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 0.00 0.00 0.00 0.00 77 E 9.21 4.72 0.00 2.06 1.80 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 2.25 2.30 0.00 78 Y 8.75 5.44 0.00 3.16 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 4.97 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 80 C 9.29 5.02 0.00 2.95 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 81 R 9.00 4.71 0.00 1.82 1.69 0.00 3.07 0.00 0.00 3.06 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 82 V 8.44 4.74 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 0.75 0.00 0.00 0.80 0.00 0.00 83 N 9.24 5.22 0.00 2.73 2.53 0.00 0.00 6.29 7.93 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 84 H 8.60 5.30 0.00 3.07 3.02 0.00 5.74 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.43 3.09 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 0.76 0.00 0.00 0.91 0.00 0.00 86 T 7.92 4.28 4.45 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 1.31 0.00 0.00 87 L 8.59 4.77 0.00 1.75 1.77 0.92 0.84 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 8.78 3.87 0.00 3.86 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 89 Q 7.10 4.49 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 90 P 0.00 4.45 0.00 1.94 2.01 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 91 K 8.93 4.40 0.00 1.86 1.64 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.45 7.81 92 I 8.44 4.77 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 1.22 0.76 0.93 0.00 0.00 93 V 8.43 4.45 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 1.00 0.00 0.00 0.96 0.00 0.00 94 K 8.65 4.73 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.48 7.81 95 W 9.27 4.39 0.00 3.25 3.52 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 96 D 8.59 4.38 0.00 2.62 2.53 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 97 R 6.80 3.34 0.00 1.65 0.66 0.00 3.01 0.00 0.00 3.20 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.39 0.00 98 D 7.22 3.76 0.00 2.76 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 99 M 8.02 3.56 0.00 2.10 2.39 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.49 0.00