NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3710 8.3044 120.3216 55.8524 33.8702 175.1067 2 H 4.6723 8.4244 119.6037 54.6153 29.0362 172.4943 3 L 4.7580 7.9725 121.1045 53.5220 45.0483 177.3280 4 T 4.1848 8.1645 118.9694 62.3132 70.5639 174.3274 5 P 4.0543 0.0000 0.0000 66.2130 31.3830 178.8212 6 E 3.9935 8.0697 116.5109 59.4300 29.4750 179.1370 7 E 3.9688 7.8830 118.1772 59.0379 29.7405 179.2312 8 K 3.8352 8.8000 119.7589 59.5799 32.1863 179.2575 9 S 4.0794 8.4491 113.5070 61.3374 61.7943 176.1137 10 A 4.0215 7.8507 123.0766 55.1259 18.1068 179.4781 11 V 3.3750 7.5681 116.2772 66.2985 31.4109 177.9800 12 T 3.9531 7.8912 114.7632 67.0917 68.2822 176.4235 13 A 4.1221 8.0179 120.4559 54.5512 18.6506 178.9230 14 L 4.0337 7.8101 117.9888 57.4702 42.3078 178.4456 15 W 4.3728 8.7424 128.6844 60.6331 30.3763 177.8395 16 G 4.0148 7.8678 104.5631 47.7723 0.0000 174.6765 17 K 4.3801 7.8135 117.3181 55.4429 32.7808 176.8210 18 V 3.8299 7.3978 120.5018 61.9353 32.2877 176.1604 19 N 4.5417 8.1423 125.1512 52.1137 38.3885 175.3951 20 V 3.4758 7.9896 127.4751 65.5911 31.1271 177.2085 21 D 4.3036 8.0416 118.2758 57.3746 40.7952 178.4021 22 E 3.9316 8.7928 119.3728 59.5027 29.5036 179.6490 23 V 3.5902 8.0434 118.7474 65.6852 31.6110 178.3485 24 G 3.6471 8.3936 106.0154 47.6945 0.0000 176.0543 25 G 3.5731 7.7394 107.5464 47.3822 0.0000 175.5415 26 E 3.9189 8.1887 121.6833 58.7490 29.6524 178.7431 27 A 3.8968 8.0988 120.9392 55.1516 18.6430 179.4089 28 L 3.9475 7.8559 118.5150 58.1625 41.7211 179.2582 29 G 3.5471 8.1408 105.7061 47.8005 0.0000 175.8877 30 R 3.8999 8.2516 121.0497 58.7091 30.0609 178.6150 31 L 3.8199 7.7807 120.1046 58.4583 41.9586 179.2646 32 L 4.0056 7.7858 117.7318 56.9659 41.1838 179.2583 33 V 3.8283 6.8993 116.4317 64.7737 32.1394 177.8331 34 V 3.7299 7.9691 116.9840 64.7719 33.0053 176.5285 35 A 3.6616 7.2889 123.4255 48.3306 18.1435 174.5222 36 P 4.5216 0.0000 0.0000 64.3685 30.9741 178.2716 37 W 4.4310 7.8065 115.1840 58.5389 28.1535 177.4679 38 T 4.2880 7.5645 110.6242 63.4971 68.4426 175.9152 39 Q 4.3593 8.0950 121.5649 57.8606 28.5251 177.9745 40 R 3.8148 7.3439 116.6758 58.5103 29.3177 177.8357 41 F 4.2938 7.1509 116.2711 57.0983 40.6346 175.5449 42 F 4.5441 7.4785 117.5465 56.5041 38.9324 176.6128 43 E 4.1826 7.9343 122.2507 59.1033 30.1124 179.5063 44 S 4.5343 8.0577 110.9915 59.7362 63.4404 174.9485 45 F 4.5082 7.9791 119.1988 58.9439 39.7793 175.0809 46 G 3.9260 6.9585 105.6386 44.4439 0.0000 173.1553 47 D 4.7739 8.6912 124.4633 53.2126 40.5646 176.6006 48 L 4.8988 8.2235 127.2824 54.6761 42.8407 178.8234 49 S 4.3756 8.1054 117.0858 61.0210 63.1575 175.1918 50 T 4.7305 7.3767 108.8933 58.2139 72.8873 172.6186 51 P 4.1942 0.0000 0.0000 66.1966 31.3156 178.1966 52 D 4.4564 8.2275 116.4324 57.7829 40.5055 179.1184 53 A 3.9869 8.5164 120.9427 54.6711 18.0354 179.8897 54 V 3.6448 7.6968 116.5365 66.3875 31.9199 177.9924 55 M 4.2589 8.7211 117.7623 58.0589 31.7677 178.4704 56 G 3.9252 8.1001 105.1719 45.5703 0.0000 173.4611 57 N 4.3340 7.6081 120.3736 52.9904 39.2686 173.5943 58 P 4.2750 0.0000 0.0000 65.9329 31.3568 178.5455 59 K 3.6893 8.0132 117.8226 58.9461 31.8013 179.3080 60 V 3.7073 8.1123 118.4922 66.1041 31.6515 178.2381 61 K 3.8969 8.0168 118.0266 59.5075 31.4840 179.2022 62 A 4.0752 8.1788 120.9378 55.0039 18.2501 179.1983 63 H 4.3919 8.2328 117.2458 59.1967 29.9416 177.5823 64 G 4.0211 8.2902 109.2298 47.2393 0.0000 175.5898 65 K 4.0148 7.9889 121.5015 58.8923 32.2951 178.9644 66 K 4.0161 7.7451 119.8044 59.2176 32.1325 179.0970 67 V 3.6089 7.9555 118.6237 66.2012 31.5541 178.1921 68 L 4.3564 8.2772 118.5943 57.2737 41.3675 179.7936 69 G 3.7181 8.0919 105.7080 47.8697 0.0000 175.4713 70 A 4.1451 7.8071 122.5874 54.5943 18.6859 179.2399 71 F 4.2800 8.5933 118.9614 61.5534 39.4254 176.9443 72 S 4.2645 9.0734 113.2850 62.0817 62.2697 176.1702 73 D 4.5316 8.4884 121.1184 57.0587 40.4654 178.9687 74 G 3.5234 8.1087 106.4379 47.2958 0.0000 175.1279 75 L 3.9683 7.1938 118.7761 55.7749 41.6567 177.8071 76 A 4.5685 7.5872 119.5759 51.9165 20.2758 176.1677 77 H 4.8309 8.1612 115.4320 54.8147 29.8769 175.0520 78 L 3.9076 8.1093 121.3819 57.2377 42.2017 176.5844 79 D 4.7885 7.4954 116.0149 54.1532 41.7985 176.2891 80 N 4.6518 7.7941 114.0062 52.2059 41.3168 175.0039 81 L 4.0737 7.5183 122.5273 57.0946 42.1935 178.7671 82 K 4.0098 8.0911 119.5628 59.7270 32.0009 179.0105 83 G 3.6898 8.2671 104.4612 47.9588 0.0000 175.4656 84 T 3.8206 7.4237 116.9131 65.4566 68.5954 175.9423 85 F 4.8301 8.0530 117.7334 57.0978 39.2970 177.3333 86 A 4.0565 7.5538 121.6124 56.0464 18.2043 180.8052 87 T 3.8775 7.8458 113.3526 66.6311 68.7162 176.7002 88 L 4.1058 7.9720 121.9090 57.8734 42.0579 178.8706 89 S 4.4269 8.5082 115.0898 60.9606 62.4405 175.8349 90 E 3.8755 8.2462 121.2703 59.3711 29.1694 179.0796 91 L 3.9258 7.8584 120.1088 58.7026 42.0934 178.8815 92 H 4.2211 8.1995 115.7086 59.0690 28.7269 176.8410 93 C 3.5991 7.5759 120.8341 62.0642 31.1349 175.3076 94 D 4.4355 8.5706 121.9163 56.1550 40.5973 177.3481 95 K 4.3300 7.7995 116.9041 57.6432 33.8004 177.3972 96 L 4.2191 7.7439 115.7258 54.8048 42.5223 176.0752 97 H 4.1880 7.1957 113.3322 56.6510 26.5204 175.1172 98 V 3.8407 7.9187 118.3083 61.2228 32.7603 174.7533 99 D 4.4125 8.5980 127.1691 53.3979 41.8748 175.0284 100 P 3.3094 0.0000 0.0000 64.6730 31.8050 177.9768 101 E 3.9174 8.2315 119.1540 59.1406 29.2863 178.2336 102 N 4.3318 7.8594 116.5672 56.4464 38.5704 177.2639 103 F 4.4965 7.4875 118.9140 60.5366 39.0495 177.8860 104 R 4.0987 7.8571 117.3580 58.8024 30.1114 178.7040 105 L 3.9991 7.8952 118.8869 57.7030 41.5440 179.2168 106 L 4.0213 8.2535 120.5142 58.1397 41.9774 178.9219 107 G 3.9141 7.9163 105.1250 48.3089 0.0000 175.3090 108 N 4.4045 8.1271 118.6074 55.7646 38.5436 177.7501 109 V 3.5130 7.7872 119.7231 65.7955 31.5518 177.4567 110 L 3.7992 8.6903 121.3333 58.5129 41.8137 179.1525 111 V 3.5350 7.9693 117.8267 66.3441 31.4343 177.7899 112 C 4.1508 8.0469 116.4625 62.5290 27.9305 176.2453 113 V 3.5595 8.1873 120.2885 65.9626 31.0847 177.9544 114 L 3.8431 7.8690 118.7202 57.7565 41.4949 179.4386 115 A 3.7228 7.2185 120.4493 55.1669 18.0625 178.9335 116 H 4.1079 7.9303 115.6598 59.8939 29.9612 176.9615 117 H 3.9440 8.0647 116.1864 58.5162 28.8996 177.1460 118 F 4.5665 8.6062 117.6464 55.3458 39.4843 178.5012 119 G 3.9412 8.8024 108.9370 45.6161 0.0000 175.2559 120 K 3.8709 9.3468 121.9435 59.7762 31.9733 177.2480 121 E 4.0647 8.4236 119.3945 58.4608 29.8292 177.1255 122 F 4.5165 8.1211 122.7792 57.0279 37.8797 175.4479 123 T 4.2292 7.3805 115.5084 59.9052 71.4591 173.5596 124 P 4.1415 0.0000 0.0000 65.7697 31.2412 177.2411 125 P 4.2139 0.0000 0.0000 65.2465 31.3284 178.8876 126 V 3.5939 7.2692 117.4074 65.6777 31.4637 177.8210 127 Q 3.6081 8.2366 119.5968 58.8618 28.7190 178.0221 128 A 3.9683 8.0862 121.6218 55.3674 18.5697 179.5555 129 A 3.9252 7.7473 119.2304 55.4916 18.3358 179.5179 130 Y 3.8842 8.0124 115.1228 61.1283 37.9048 178.5568 131 Q 4.1517 8.7908 119.6942 58.9037 28.8224 178.8510 132 K 4.0629 7.9670 119.4005 59.0910 31.9916 179.7603 133 V 3.5099 7.5705 118.3336 66.0471 31.5002 178.5144 134 V 3.7789 8.3158 112.4086 64.3403 31.3360 178.4677 135 A 4.0787 8.1825 120.6360 55.0794 18.2817 179.7042 136 G 3.6246 8.0660 104.2730 48.0357 0.0000 175.8508 137 V 3.3819 8.3903 121.0061 65.5361 31.4095 177.7977 138 A 3.9447 7.8803 120.3746 55.3343 17.9795 179.3961 139 N 4.2813 8.1457 113.5467 56.3049 38.9340 177.1681 140 A 4.1907 8.0429 122.1033 55.3877 18.2517 179.8069 141 L 3.8995 8.1331 117.2323 57.1217 41.5277 178.8075 142 A 4.4769 7.7473 119.4489 52.8539 18.9907 178.3493 143 H 4.0989 7.8002 116.8603 59.3296 29.8634 176.0558 144 K 4.3475 8.1142 115.0810 56.5471 32.1097 176.7125 145 Y 4.1693 8.0618 118.1926 58.4221 38.4049 175.7402 146 H 4.4567 8.3423 117.8210 56.1713 28.2712 173.2772 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 8.30 4.37 0.00 1.97 2.12 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 2.42 2.51 0.00 2 H 8.42 4.67 0.00 3.13 3.21 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.97 4.76 0.00 1.57 1.46 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.16 4.18 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 1.26 0.00 0.00 5 P 0.00 4.05 0.00 2.12 2.10 0.00 3.56 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 2.09 2.17 0.00 6 E 8.07 3.99 0.00 2.02 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 2.38 2.44 0.00 7 E 7.88 3.97 0.00 2.19 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 2.35 2.34 0.00 8 K 8.80 3.84 0.00 1.82 1.79 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.43 7.81 9 S 8.45 4.08 0.00 3.84 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 10 A 7.85 4.02 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 11 V 7.57 3.38 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 0.50 0.00 0.00 0.56 0.00 0.00 12 T 7.89 3.95 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 1.28 0.00 0.00 13 A 8.02 4.12 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 14 L 7.81 4.03 0.00 1.87 2.04 0.36 -0.05 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 15 W 8.74 4.37 0.00 3.78 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 16 G 7.87 4.01 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 0.00 17 K 7.81 4.38 0.00 2.10 2.16 0.00 2.00 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 18 V 7.40 3.83 1.03 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 0.65 0.00 0.00 19 N 8.14 4.54 0.00 2.70 2.60 0.00 0.00 6.82 7.71 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 20 V 7.99 3.48 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 1.19 0.00 0.00 0.89 0.00 0.00 21 D 8.04 4.30 0.00 2.99 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 22 E 8.79 3.93 0.00 2.03 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 0.00 2.29 2.44 0.00 23 V 8.04 3.59 2.00 0.00 0.00 0.00 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 0.68 0.00 0.00 24 G 8.39 3.65 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 0.00 0.00 0.00 25 G 7.74 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 0.00 0.00 0.00 26 E 8.19 3.92 0.00 2.26 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 2.29 2.32 0.00 27 A 8.10 3.90 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 28 L 7.86 3.95 0.00 1.71 1.61 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.14 3.55 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 30 R 8.25 3.90 0.00 1.91 1.94 0.00 3.21 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 31 L 7.78 3.82 0.00 1.83 1.84 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.79 4.01 0.00 1.86 1.68 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 V 6.90 3.83 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 0.78 0.00 0.00 0.93 0.00 0.00 34 V 7.97 3.73 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 0.83 0.00 0.00 0.94 0.00 0.00 35 A 7.29 3.66 0.17 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 36 P 0.00 4.52 0.00 2.35 2.36 0.00 3.77 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 2.23 1.95 0.00 37 W 7.81 4.43 0.00 3.57 3.50 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 38 T 7.56 4.29 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 1.04 0.00 0.00 39 Q 8.10 4.36 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 40 R 7.34 3.81 0.00 1.60 1.81 0.00 2.96 0.00 0.00 2.47 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 7.15 4.29 0.00 1.51 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.48 4.54 0.00 2.88 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 0.00 0.00 0.00 43 E 7.93 4.18 0.00 2.01 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 2.33 2.20 0.00 44 S 8.06 4.53 0.00 4.12 4.11 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 45 F 7.98 4.51 0.00 3.26 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 46 G 6.96 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 0.00 0.00 0.00 47 D 8.69 4.77 0.00 2.67 2.61 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 0.00 0.00 0.00 0.00 48 L 8.22 4.90 0.00 1.73 1.61 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.11 4.38 0.00 3.90 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 50 T 7.38 4.73 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 51 P 0.00 4.19 0.00 2.16 2.15 0.00 3.62 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 2.11 2.20 0.00 52 D 8.23 4.46 0.00 2.68 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 53 A 8.52 3.99 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 54 V 7.70 3.64 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 0.91 0.00 0.00 0.95 0.00 0.00 55 M 8.72 4.26 0.00 1.96 2.14 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 2.62 2.83 0.00 56 G 8.10 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 0.00 0.00 0.00 57 N 7.61 4.33 0.00 2.93 2.93 0.00 0.00 6.86 7.38 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 58 P 0.00 4.28 0.00 2.25 2.26 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 59 K 8.01 3.69 0.00 1.85 0.79 0.00 1.30 0.00 0.00 1.17 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.20 1.30 7.81 60 V 8.11 3.71 2.33 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 1.09 0.00 0.00 1.10 0.00 0.00 61 K 8.02 3.90 0.00 2.02 1.82 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.49 7.81 62 A 8.18 4.08 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 63 H 8.23 4.39 0.00 3.58 3.55 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.29 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 65 K 7.99 4.01 0.00 1.99 1.82 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.44 7.81 66 K 7.75 4.02 0.00 2.06 1.96 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.50 7.81 67 V 7.96 3.61 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 0.99 0.00 0.00 0.89 0.00 0.00 68 L 8.28 4.36 0.00 1.92 1.88 1.17 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.09 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 70 A 7.81 4.15 1.54 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 71 F 8.59 4.28 0.00 3.22 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 72 S 9.07 4.26 0.00 4.60 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 0.00 73 D 8.49 4.53 0.00 2.72 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 74 G 8.11 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 0.00 0.00 0.00 75 L 7.19 3.97 0.00 1.53 1.43 -0.37 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.59 4.57 1.26 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 0.00 0.00 0.00 77 H 8.16 4.83 0.00 3.03 3.15 0.00 5.82 0.00 0.00 0.00 0.00 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.11 3.91 0.00 1.47 1.60 0.73 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.50 4.79 0.00 2.64 2.61 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 0.00 0.00 0.00 0.00 80 N 7.79 4.65 0.00 2.69 2.60 0.00 0.00 7.22 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 81 L 7.52 4.07 0.00 1.78 1.88 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.09 4.01 0.00 1.82 1.75 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.16 1.38 7.81 83 G 8.27 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 0.00 0.00 0.00 84 T 7.42 3.82 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 85 F 8.05 4.83 0.00 3.10 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 86 A 7.55 4.06 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 87 T 7.85 3.88 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 1.22 0.00 0.00 88 L 7.97 4.11 0.00 1.89 2.02 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.51 4.43 0.00 4.07 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 3.88 0.00 2.19 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 2.33 2.54 0.00 91 L 7.86 3.93 0.00 1.85 1.93 0.90 1.10 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 92 H 8.20 4.22 0.00 3.63 3.79 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.58 3.60 0.00 1.69 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 94 D 8.57 4.44 0.00 2.72 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 95 K 7.80 4.33 0.00 1.82 1.78 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 96 L 7.74 4.22 0.00 1.73 1.67 0.73 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.20 4.19 0.00 3.49 3.44 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.92 3.84 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 0.16 0.00 0.00 0.66 0.00 0.00 99 D 8.60 4.41 0.00 2.81 2.74 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 0.00 100 P 0.00 3.31 0.00 1.92 1.78 0.00 3.35 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.00 101 E 8.23 3.92 0.00 2.06 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 2.35 2.46 0.00 102 N 7.86 4.33 0.00 2.57 2.68 0.00 0.00 6.94 8.07 0.00 0.00 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 F 7.49 4.50 0.00 3.11 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 0.00 104 R 7.86 4.10 0.00 2.09 2.01 0.00 3.27 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 105 L 7.90 4.00 0.00 1.86 1.70 1.01 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.25 4.02 0.00 1.78 1.73 0.89 1.44 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 0.00 107 G 7.92 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 0.00 0.00 0.00 108 N 8.13 4.40 0.00 2.95 2.91 0.00 0.00 6.70 7.11 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 0.00 109 V 7.79 3.51 2.16 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 0.94 0.00 0.00 0.93 0.00 0.00 110 L 8.69 3.80 0.00 1.65 1.84 0.85 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.97 3.53 2.30 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 1.25 0.00 0.00 1.16 0.00 0.00 112 C 8.05 4.15 0.00 3.13 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 0.00 113 V 8.19 3.56 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 0.95 0.00 0.00 0.95 0.00 0.00 114 L 7.87 3.84 0.00 0.81 1.04 0.69 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.22 3.72 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 0.00 116 H 7.93 4.11 0.00 3.21 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.06 3.94 0.00 3.05 2.72 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.61 4.57 0.00 3.18 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 0.00 119 G 8.80 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 0.00 120 K 9.35 3.87 0.00 1.92 2.05 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.54 7.81 121 E 8.42 4.06 0.00 2.37 2.26 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 2.37 2.34 0.00 122 F 8.12 4.52 0.00 3.08 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 0.00 123 T 7.38 4.23 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 1.31 0.00 0.00 124 P 0.00 4.14 0.00 2.15 2.15 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 125 P 0.00 4.21 0.00 2.11 2.06 0.00 3.45 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.27 3.59 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 0.97 0.00 0.00 0.89 0.00 0.00 127 Q 8.24 3.61 0.00 1.60 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 128 A 8.09 3.97 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 0.00 129 A 7.75 3.93 1.21 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 0.00 130 Y 8.01 3.88 0.00 3.46 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 0.00 131 Q 8.79 4.15 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 132 K 7.97 4.06 0.00 1.90 1.83 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.46 1.62 7.81 133 V 7.57 3.51 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 0.82 0.00 0.00 0.76 0.00 0.00 134 V 8.32 3.78 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 0.99 0.00 0.00 1.11 0.00 0.00 135 A 8.18 4.08 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 0.00 136 G 8.07 3.62 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 0.00 0.00 0.00 137 V 8.39 3.38 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 0.73 0.00 0.00 0.69 0.00 0.00 138 A 7.88 3.94 1.45 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 0.00 0.00 0.00 139 N 8.15 4.28 0.00 2.82 2.91 0.00 0.00 7.04 6.86 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 0.00 140 A 8.04 4.19 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 0.00 141 L 8.13 3.90 0.00 1.42 0.90 -0.14 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.75 4.48 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 0.00 143 H 7.80 4.10 0.00 3.29 3.71 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.11 4.35 0.00 1.84 1.83 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.78 7.81 145 Y 8.06 4.17 0.00 3.12 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 0.00 146 H 8.34 4.46 0.00 3.22 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00