NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4916 8.2893 120.3530 55.7934 33.4349 174.2471 2 E 4.8087 8.2514 118.8579 55.0412 32.2926 172.5972 3 A 4.6049 9.1885 124.4070 50.2184 21.9608 176.9962 4 K 4.8342 8.5453 121.8134 55.4677 35.1349 176.9039 5 A 4.3006 8.7203 125.2064 50.8913 20.8150 176.9322 6 I 3.1786 9.4992 129.1141 61.8253 35.3530 172.9684 7 A 4.5339 8.9299 129.7940 50.1878 19.2921 175.7151 8 R 4.3815 8.2808 120.1344 57.5703 31.6287 176.3154 9 Y 3.6536 8.9936 115.3206 59.5787 35.3188 171.6080 10 V 3.3688 8.5821 121.6141 65.8514 32.6919 175.5881 11 R 3.9942 9.2591 115.8371 55.0400 26.6483 174.5219 12 I 4.1380 6.8634 115.4485 59.9317 42.1825 173.4333 13 S 4.2286 8.3735 121.7253 57.5141 62.9073 172.2278 14 P 4.2779 0.0000 0.0000 65.4019 30.8942 178.3338 15 R 3.8302 8.0065 116.1979 59.5041 29.8586 177.9531 16 K 4.2146 8.3281 118.3897 58.8179 32.3850 179.3383 17 V 3.6807 7.6424 117.9147 66.3171 31.6734 177.9230 18 R 4.0215 8.1477 117.9230 59.6146 29.6448 178.5628 19 L 3.9808 7.3728 116.3948 58.0008 41.8522 179.5644 20 V 3.9119 8.2178 112.1894 63.9207 31.9407 178.6120 21 V 3.3620 7.8405 117.5012 66.2475 31.0647 177.4491 22 D 4.5177 8.6289 117.4314 56.3342 40.7229 177.7242 23 L 4.2623 8.5164 121.1364 56.3373 42.2159 176.8575 24 I 4.4490 7.2095 108.9793 60.1005 38.3678 175.3909 25 R 3.7718 7.9672 122.3025 57.8378 30.2486 176.1075 26 G 3.7728 8.3605 114.6541 47.1011 0.0000 173.0440 27 K 4.7735 7.5468 116.5956 53.5896 36.2211 176.2826 28 S 4.5998 8.5390 115.9052 57.9862 63.2158 175.1134 29 L 3.9719 8.8066 126.8202 57.9170 41.6593 178.8862 30 E 4.0713 8.0253 118.4424 58.8146 30.0037 177.3936 31 E 3.9397 7.8699 119.0161 59.1703 29.7304 178.5215 32 A 3.9895 8.4286 121.1238 55.3134 18.5019 179.7483 33 R 3.8471 7.6146 115.5278 59.5895 29.9626 178.9503 34 N 4.4353 8.0161 114.7073 57.2544 38.8549 176.6109 35 I 3.6566 8.5456 121.0946 63.2069 36.9127 178.0612 36 L 3.8765 7.9977 119.7019 58.4263 41.8511 179.5272 37 R 3.7692 8.1200 117.3296 58.9225 29.8578 176.7750 38 Y 4.6220 8.0446 114.1461 57.8363 38.5431 175.1070 39 T 4.5210 7.6673 117.3740 62.0812 69.8671 175.7016 40 N 4.6997 8.5309 126.8081 51.4791 37.6086 173.1921 41 K 4.5217 7.5804 118.6375 54.5699 35.6009 177.0064 42 R 3.7965 8.8054 123.4707 59.1733 30.5226 178.7403 43 G 3.8115 8.3165 106.5608 48.3643 0.0000 174.3486 44 A 3.7900 7.7812 120.5153 56.0861 18.0421 179.3511 45 Y 3.6978 7.4434 113.4533 60.1393 39.7036 178.6742 46 F 4.4833 7.5093 115.6953 60.8805 39.3687 177.9998 47 V 3.5809 7.9522 117.2050 66.0143 31.3327 177.4113 48 A 3.9068 8.2660 120.8134 55.3844 18.2648 179.1856 49 K 3.6420 7.9994 117.8244 59.8339 32.0704 178.9945 50 V 3.7927 7.8100 118.1288 63.5533 31.4425 178.0370 51 L 3.8950 7.8193 121.9230 58.0871 42.1421 177.8293 52 E 3.8832 8.4915 119.6408 59.7323 29.1552 179.0304 53 S 4.0767 7.7798 111.4485 61.0501 62.7713 175.6847 54 A 4.0694 7.7236 123.3879 54.9166 18.0592 179.3077 55 A 3.9581 8.3412 119.5031 55.3270 18.2602 179.7124 56 A 4.3614 7.6243 113.4689 53.1988 18.3161 177.9188 57 N 4.7827 8.2364 118.1213 55.3554 40.7158 176.3046 58 A 3.9513 7.9109 121.8711 56.2942 18.5102 179.1750 59 V 3.5072 8.0583 115.0696 65.2133 31.1153 177.3118 60 N 4.1251 7.9933 119.2956 56.8266 39.2085 175.9426 61 N 4.7267 8.1698 112.4148 54.0975 39.3976 175.6035 62 H 4.7097 8.1959 113.9158 55.5886 30.2833 174.6403 63 D 4.3723 7.4784 113.6604 55.0018 37.4641 172.9299 64 M 4.8559 8.0730 128.0182 54.0782 34.8957 173.2502 65 L 3.6554 7.9224 122.3599 54.5677 39.4643 173.6335 66 E 3.9304 8.6069 126.8199 59.3621 29.8127 178.8728 67 D 4.5275 8.0869 116.3425 56.1825 41.2462 176.5963 68 R 4.6371 8.3618 117.3951 55.5916 32.0532 175.8328 69 L 5.2746 8.0446 120.5254 54.6120 42.9501 175.7309 70 Y 5.2564 8.6315 119.5234 55.6380 42.3974 174.4219 71 V 3.8936 8.7278 121.1550 61.9059 30.8269 176.2172 72 K 3.3193 7.9746 128.9613 58.8386 32.7312 176.2494 73 A 4.6480 7.9881 118.6365 51.4139 22.9421 175.0294 74 A 4.6327 7.9533 119.4057 51.3555 22.2253 175.3221 75 Y 4.7860 7.5026 115.4089 56.3493 41.6962 173.1420 76 V 4.9811 8.7376 120.3267 60.2539 33.9669 174.4866 77 D 5.0737 8.9966 123.5867 52.4848 44.0641 174.8515 78 E 4.5752 8.7051 121.8666 55.8164 30.7006 175.8243 79 G 4.0785 8.1673 114.3923 43.1920 0.0000 170.8616 80 P 4.4442 0.0000 0.0000 63.3129 31.4482 175.9422 81 A 4.4136 8.3742 123.0619 51.1832 20.6748 177.1375 82 L 4.3822 8.7168 121.5131 53.2547 42.7604 176.0266 83 K 4.6714 8.4715 124.3601 55.9863 32.9449 177.0305 84 R 4.6836 9.1514 123.8711 54.2641 34.5008 174.7299 85 V 4.5017 8.3929 122.3737 61.8742 32.5312 174.9971 86 L 4.6357 8.9590 132.3743 52.5652 43.2411 173.6440 87 P 4.7105 0.0000 0.0000 63.0528 31.9601 176.0471 88 R 4.7303 8.5126 121.7052 53.7303 33.8185 175.0676 89 A 4.1554 8.3629 122.5029 53.7779 18.7558 177.2980 90 R 3.8254 8.8735 117.9580 57.3227 26.9634 176.7810 91 G 3.9909 8.3591 102.6793 46.8106 0.0000 176.5974 92 R 3.7089 7.7073 118.7157 58.6571 30.1567 173.9222 93 A 3.6900 8.0685 130.1057 51.9273 17.1022 176.2057 94 D 5.0886 9.2789 122.7343 53.1483 44.7013 175.7957 95 I 4.8765 8.0971 112.9318 59.2980 39.0933 175.0188 96 I 4.0366 9.0456 128.7951 60.4146 39.5117 174.9688 97 K 4.7023 8.4476 128.2509 54.5198 32.8449 175.7860 98 K 4.1569 8.9027 125.4042 56.0790 32.2476 177.3027 99 R 4.4916 8.4340 124.7580 56.3004 31.9929 175.6538 100 T 4.8293 8.1701 114.9737 62.1543 72.8678 173.5543 101 S 5.1199 8.6637 119.6599 57.2852 67.1782 172.7902 102 H 5.6392 9.0364 119.2369 52.9830 30.2469 171.0312 103 I 4.4103 8.0544 122.6841 60.9117 38.6799 174.5664 104 T 4.8707 8.7060 123.9796 61.6334 71.7036 173.5774 105 V 4.6189 7.9651 123.9063 61.0375 35.5962 173.9044 106 I 4.9870 8.8000 120.6929 59.3370 40.5333 174.1999 107 L 5.4573 8.4976 127.4588 52.8510 44.2648 175.9381 108 G 4.5438 8.3838 107.5540 45.1194 0.0000 170.3060 109 E 5.2413 8.6404 117.9883 54.3424 32.0260 176.5252 110 K 3.9822 8.7221 125.5080 56.6417 33.2874 177.0210 111 H 4.0582 8.3784 114.3073 55.8928 32.6886 172.0786 112 G 4.0193 8.1362 118.8778 46.4513 0.0000 173.4176 113 K 4.1853 9.0247 127.2262 54.3436 31.8766 176.8001 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 1 M 8.29 4.49 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.64 0.00 2 E 8.25 4.81 0.00 2.19 1.87 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 2.18 2.37 0.00 3 A 9.19 4.60 1.20 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 0.00 0.00 4 K 8.55 4.83 0.00 1.72 1.65 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.36 7.81 5 A 8.72 4.30 1.12 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 0.00 0.00 6 I 9.50 3.18 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.39 0.89 0.00 0.00 7 A 8.93 4.53 1.22 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 0.00 0.00 8 R 8.28 4.38 0.00 1.73 1.93 0.00 3.28 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 9 Y 8.99 3.65 0.00 2.90 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 10 V 8.58 3.37 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 0.04 0.00 0.00 0.94 0.00 0.00 11 R 9.26 3.99 0.00 1.86 2.11 0.00 3.48 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 12 I 6.86 4.14 2.01 0.00 0.00 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 1.27 0.80 0.87 0.00 0.00 13 S 8.37 4.23 0.00 3.90 3.74 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 14 P 0.00 4.28 0.00 2.19 2.11 0.00 3.96 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 2.10 2.13 0.00 15 R 8.01 3.83 0.00 1.80 2.02 0.00 3.23 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 16 K 8.33 4.21 0.00 2.08 1.86 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 17 V 7.64 3.68 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 1.13 0.00 0.00 1.03 0.00 0.00 18 R 8.15 4.02 0.00 1.91 2.04 0.00 3.22 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 19 L 7.37 3.98 0.00 1.95 1.77 0.96 0.92 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 20 V 8.22 3.91 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 0.88 0.00 0.00 0.99 0.00 0.00 21 V 7.84 3.36 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 1.07 0.00 0.00 1.00 0.00 0.00 22 D 8.63 4.52 0.00 2.86 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 23 L 8.52 4.26 0.00 1.61 1.79 0.94 0.40 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 24 I 7.21 4.45 1.86 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 1.32 0.83 0.91 0.00 0.00 25 R 7.97 3.77 0.00 1.79 1.90 0.00 3.33 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 26 G 8.36 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 27 K 7.55 4.77 0.00 1.83 1.70 0.00 1.87 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.34 7.81 28 S 8.54 4.60 0.00 4.04 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 29 L 8.81 3.97 0.00 1.85 1.85 0.92 0.94 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 30 E 8.03 4.07 0.00 2.09 1.93 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 2.36 2.37 0.00 31 E 7.87 3.94 0.00 2.08 1.96 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 2.33 2.36 0.00 32 A 8.43 3.99 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 33 R 7.61 3.85 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.04 0.00 34 N 8.02 4.44 0.00 2.99 2.97 0.00 0.00 7.13 6.88 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 35 I 8.55 3.66 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.88 0.94 0.00 0.00 36 L 8.00 3.88 0.00 1.70 1.72 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.12 3.77 0.00 1.80 2.09 0.00 2.98 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.00 38 Y 8.04 4.62 0.00 2.99 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 39 T 7.67 4.52 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 1.23 0.00 0.00 40 N 8.53 4.70 0.00 2.69 2.76 0.00 0.00 7.03 6.68 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 41 K 7.58 4.52 0.00 1.79 1.64 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.37 7.81 42 R 8.81 3.80 0.00 1.80 1.94 0.00 3.15 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.43 0.00 43 G 8.32 3.81 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 0.00 0.00 0.00 44 A 7.78 3.79 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 45 Y 7.44 3.70 0.00 2.82 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 46 F 7.51 4.48 0.00 3.18 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 47 V 7.95 3.58 2.20 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 1.00 0.00 0.00 0.98 0.00 0.00 48 A 8.27 3.91 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 49 K 8.00 3.64 0.00 1.52 1.94 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.40 1.37 7.81 50 V 7.81 3.79 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 0.87 0.00 0.00 0.90 0.00 0.00 51 L 7.82 3.89 0.00 1.93 1.74 0.90 0.63 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 52 E 8.49 3.88 0.00 2.17 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 2.27 2.36 0.00 53 S 7.78 4.08 0.00 3.91 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 54 A 7.72 4.07 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 55 A 8.34 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 56 A 7.62 4.36 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 57 N 8.24 4.78 0.00 2.87 2.81 0.00 0.00 6.87 7.67 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 58 A 7.91 3.95 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 59 V 8.06 3.51 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 1.03 0.00 0.00 0.94 0.00 0.00 60 N 7.99 4.13 0.00 2.88 2.88 0.00 0.00 6.89 7.79 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 61 N 8.17 4.73 0.00 2.84 2.75 0.00 0.00 6.94 7.56 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 62 H 8.20 4.71 0.00 3.21 3.26 0.00 5.89 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.48 4.37 0.00 2.90 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 64 M 8.07 4.86 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 65 L 7.92 3.66 0.00 1.87 1.85 0.92 0.86 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 66 E 8.61 3.93 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 2.40 2.39 0.00 67 D 8.09 4.53 0.00 2.72 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 68 R 8.36 4.64 0.00 1.68 1.86 0.00 3.10 0.00 0.00 3.36 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 69 L 8.04 5.27 0.00 1.67 1.64 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.63 5.26 0.00 3.17 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 71 V 8.73 3.89 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 0.76 0.00 0.00 0.92 0.00 0.00 72 K 7.97 3.32 0.00 1.49 1.80 0.00 1.97 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.45 7.81 73 A 7.99 4.65 1.23 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 0.00 0.00 0.00 74 A 7.95 4.63 1.08 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 75 Y 7.50 4.79 0.00 2.95 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 76 V 8.74 4.98 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 0.84 0.00 0.00 0.97 0.00 0.00 77 D 9.00 5.07 0.00 2.72 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 78 E 8.71 4.58 0.00 1.95 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 2.21 2.24 0.00 79 G 8.17 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 80 P 0.00 4.44 0.00 1.93 1.96 0.00 3.39 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 81 A 8.37 4.41 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 82 L 8.72 4.38 0.00 1.81 1.61 0.86 0.85 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 83 K 8.47 4.67 0.00 1.62 1.74 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.44 7.81 84 R 9.15 4.68 0.00 1.64 1.76 0.00 3.27 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 85 V 8.39 4.50 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 0.75 0.00 0.00 0.93 0.00 0.00 86 L 8.96 4.64 0.00 1.74 1.53 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.71 0.00 2.11 2.04 0.00 3.77 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 1.98 2.00 0.00 88 R 8.51 4.73 0.00 1.73 1.88 0.00 3.29 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 89 A 8.36 4.16 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 90 R 8.87 3.83 0.00 1.99 2.09 0.00 3.36 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 91 G 8.36 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 0.00 0.00 0.00 92 R 7.71 3.71 0.00 1.88 1.99 0.00 3.29 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 93 A 8.07 3.69 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 94 D 9.28 5.09 0.00 2.65 2.57 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 95 I 8.10 4.88 1.86 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 1.22 0.66 0.90 0.00 0.00 96 I 9.05 4.04 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 1.49 0.90 0.00 0.00 97 K 8.45 4.70 0.00 1.64 1.73 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.42 7.81 98 K 8.90 4.16 0.00 1.73 1.77 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.56 7.81 99 R 8.43 4.49 0.00 1.71 1.98 0.00 3.37 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.59 0.00 100 T 8.17 4.83 4.32 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 1.07 0.00 0.00 101 S 8.66 5.12 0.00 3.70 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 0.00 102 H 9.04 5.64 0.00 3.20 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.05 4.41 1.88 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 1.38 0.58 0.92 0.00 0.00 104 T 8.71 4.87 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 105 V 7.97 4.62 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 0.94 0.00 0.00 0.85 0.00 0.00 106 I 8.80 4.99 1.80 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 1.23 0.58 0.82 0.00 0.00 107 L 8.50 5.46 0.00 1.60 1.61 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.38 4.54 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 0.00 0.00 0.00 109 E 8.64 5.24 0.00 1.91 1.79 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 2.32 2.30 0.00 110 K 8.72 3.98 0.00 1.66 1.70 0.00 1.00 0.00 0.00 0.99 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.31 7.81 111 H 8.38 4.06 0.00 3.36 3.53 0.00 5.59 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 0.00 112 G 8.14 4.02 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 0.00 0.00 0.00 113 K 9.02 4.19 0.00 1.79 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.32 0.99 7.81