NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5263 8.1627 120.3619 55.9742 34.4303 177.1669 2 M 3.9409 8.1863 117.5306 58.0220 32.2581 176.1149 3 D 4.3486 8.3989 117.9491 57.5419 41.8070 177.0672 4 Y 4.1368 7.9414 119.4863 60.7698 38.8708 177.7401 5 L 3.7413 8.3479 120.2590 57.5638 41.3492 179.6338 6 I 3.8264 8.0416 120.2165 64.7417 36.9348 178.6739 7 T 4.0282 7.9023 108.3447 63.9515 68.9694 175.2342 8 Q 4.2815 7.8884 119.2580 54.6325 29.1880 175.4766 9 N 4.1036 7.3510 112.7621 54.2359 36.6638 174.8602 10 G 4.1046 8.6506 99.2545 44.9959 0.0000 174.7681 11 G 3.9155 7.8280 110.4143 47.2316 0.0000 175.3582 12 M 4.0071 8.2127 120.2941 59.0993 32.0299 178.3570 13 V 3.4971 7.5261 111.7176 64.5650 31.5915 178.5717 14 F 4.4288 7.9108 116.6043 60.2194 38.7553 177.7710 15 A 4.0822 8.1161 120.3455 54.8783 18.2649 179.6854 16 V 3.5074 8.0821 117.1677 66.1175 31.5741 178.0061 17 L 4.0178 8.1104 119.8659 58.0177 41.8916 178.7238 18 A 4.1076 8.3171 120.9318 55.5727 18.3906 179.5275 19 M 4.0237 8.1377 116.9141 58.4227 32.0060 178.8721 20 A 3.9911 8.1158 120.8625 55.4326 18.4926 179.7921 21 T 4.0039 8.3931 114.3479 66.8486 68.1791 176.6451 22 A 4.0918 8.1260 122.5604 55.5323 18.4247 179.8859 23 T 3.8006 7.9189 113.9727 66.8615 68.5320 177.0609 24 I 3.5192 8.0239 121.9031 64.5790 37.1728 178.7053 25 F 4.0942 7.7628 118.4553 60.2965 38.7637 178.1289 26 S 4.2971 7.8568 113.9974 61.3755 62.8219 176.7818 27 G 3.5976 8.1890 109.4060 47.5523 0.0000 175.7540 28 I 3.7957 8.1405 122.7097 63.9120 37.0976 178.5997 29 G 3.6728 7.9872 106.5367 48.0550 0.0000 175.9383 30 S 4.5770 8.3558 118.9265 60.6597 62.8277 176.4781 31 A 3.9391 8.3092 123.8802 55.2235 18.0081 179.9179 32 K 4.0032 8.3216 117.0979 59.4833 32.1362 179.9919 33 G 3.5447 8.1896 106.0242 47.8510 0.0000 176.0302 34 V 3.8389 8.5552 121.7084 65.3546 31.4225 178.2933 35 G 3.5699 8.2799 105.6793 48.0593 0.0000 175.1518 36 M 4.0091 8.2968 121.8179 58.6823 32.1806 178.5103 37 T 4.0317 8.0441 115.8852 66.4648 68.4859 177.0158 38 G 3.6538 8.4498 108.1105 47.7451 0.0000 175.6553 39 E 3.9633 8.5093 120.8380 59.2135 29.4972 179.3247 40 A 4.0012 8.0102 120.4651 55.0642 18.4586 179.5877 41 A 3.9616 8.5072 119.5947 55.1624 18.2951 179.7097 42 A 3.9863 8.4055 119.4386 55.2370 18.2247 179.7424 43 A 3.9535 7.7577 118.2190 55.1798 18.7493 179.2299 44 L 4.0596 7.9811 118.8905 58.7490 40.6786 179.4315 45 T 4.1389 8.1700 115.6963 66.5001 68.0894 176.6329 46 T 4.1122 7.6400 111.4237 63.8251 68.6758 175.0736 47 S 4.6338 7.5434 113.9991 58.4644 65.7381 174.3392 48 Q 4.8738 8.6275 119.0558 52.2203 28.6239 174.1495 49 P 4.4698 0.0000 0.0000 64.7052 32.2409 179.2944 50 E 4.0356 8.2545 117.2441 58.6915 29.8249 178.0284 51 K 4.4822 7.9982 118.5727 56.4065 32.4717 177.9284 52 F 4.3214 8.2872 123.8041 61.5726 39.2753 177.3143 53 G 3.5304 8.1905 104.4721 48.1351 0.0000 175.4134 54 Q 3.9674 7.9791 120.0944 58.3573 28.7686 178.4897 55 A 3.9651 8.0216 121.9236 54.9684 18.4943 179.4520 56 L 3.6981 7.8733 119.2405 58.1023 41.8393 179.1959 57 I 3.6216 7.2107 118.4234 64.4341 36.9835 177.9968 58 L 4.0987 7.6711 119.2102 57.9219 41.2186 179.4409 59 Q 3.9624 7.8414 118.4266 59.0177 29.1516 177.9502 60 L 4.1196 7.7162 119.4175 56.8139 41.8004 179.0273 61 L 3.9165 7.4731 119.0240 57.6136 41.8590 177.3398 62 P 5.2089 0.0000 0.0000 62.9773 30.7080 177.8735 63 G 3.7928 8.2573 106.7325 46.2505 0.0000 176.1234 64 T 3.6851 7.3399 111.2746 64.3173 68.7230 176.5634 65 Q 4.1418 8.0003 120.7733 59.1466 28.8345 179.2302 66 G 3.6797 8.3488 106.6439 47.6720 0.0000 175.7509 67 L 4.0150 7.1141 117.9693 57.7849 41.6351 178.8984 68 Y 4.3701 7.8021 117.0398 61.2151 37.7859 179.1624 69 G 4.2352 8.3285 107.8440 47.3921 0.0000 175.4116 70 F 4.1778 8.4629 123.3308 61.0399 39.3007 177.3976 71 V 3.7512 8.3771 117.8660 66.1210 31.4080 178.0117 72 I 3.7819 8.2694 119.3734 64.4286 36.9875 178.1960 73 A 3.9872 8.2540 121.6418 55.2650 18.2419 179.5284 74 F 3.9749 8.2276 119.1700 61.1220 39.1605 177.1937 75 L 3.9314 8.1063 119.6879 57.9612 42.1397 178.7251 76 I 3.5741 7.8449 119.9109 64.1060 36.6591 177.8842 77 F 3.9487 8.0625 121.7625 61.3352 38.9468 176.9229 78 I 3.5988 7.1771 109.7158 62.2414 37.6228 176.0664 79 N 4.7179 7.1881 117.1026 52.9384 38.7647 175.5920 80 L 4.0856 6.9907 119.4182 55.1438 42.8883 176.3035 81 G 4.4506 7.8284 113.9989 45.8295 0.0000 173.1083 82 S 4.1675 7.9058 116.8021 60.6952 63.4340 175.1050 83 D 4.6446 7.9371 118.1878 54.4276 40.9770 175.3338 84 M 4.1343 7.6567 118.6753 55.8560 32.7567 176.1438 85 S 4.3537 8.4942 121.2299 57.9278 65.4867 175.3190 86 V 3.7474 8.2513 121.6807 66.0076 31.3061 178.1310 87 V 3.4988 7.7866 117.6203 66.1743 31.3678 177.6595 88 Q 3.9278 8.0272 118.8184 59.0256 28.8926 178.2759 89 G 3.9554 8.3094 106.7768 48.1218 0.0000 175.7020 90 L 3.9763 8.2965 121.8603 57.2975 41.5280 179.3514 91 N 4.2454 8.1547 116.6723 56.2708 38.5586 177.4068 92 F 4.2972 8.1229 119.1808 60.3867 38.7628 177.4771 93 L 4.1896 7.9479 119.1550 58.2570 42.1403 178.9155 94 G 3.7802 8.4809 105.7629 47.8462 0.0000 175.4755 95 A 4.0896 8.2199 123.2155 54.7719 18.4863 179.6456 96 S 4.2767 8.0958 112.1460 60.8545 63.2669 176.7747 97 L 4.1919 7.7894 123.4395 57.3351 41.3849 177.2009 98 P 4.3712 0.0000 0.0000 65.9738 31.3702 178.5174 99 I 3.8645 8.0545 116.9133 63.7444 37.9042 177.5628 100 A 3.9694 7.9959 121.5109 55.3216 18.2282 179.3553 101 F 4.5795 8.2810 115.5483 59.8780 39.5240 178.6411 102 T 4.2729 8.4927 109.9939 64.5995 68.5512 177.0182 103 G 3.6963 8.4307 108.6724 47.5368 0.0000 175.2410 104 L 3.9827 8.0308 123.1107 58.1633 42.1705 179.2026 105 F 4.2407 8.4436 117.8009 60.3673 38.9440 178.1194 106 S 4.4474 8.7568 114.3961 61.1811 62.8926 176.7671 107 G 3.6683 8.2471 109.4826 47.7032 0.0000 175.8089 108 I 3.7011 7.6571 121.9157 64.0409 37.0677 178.3702 109 A 4.0489 8.1627 121.6170 55.3276 18.3513 179.5050 110 Q 4.0863 8.7872 118.6615 59.2178 29.0665 178.5043 111 G 3.7138 8.1843 106.8925 47.8161 0.0000 175.8374 112 K 4.0184 7.9582 120.4814 59.1953 32.0767 179.7198 113 V 3.5957 7.7408 118.2640 65.8561 31.2618 177.9813 114 A 4.0220 8.2718 119.7503 55.1215 18.5815 179.0987 115 A 4.0732 8.3207 119.2459 55.3149 18.3763 179.7314 116 A 4.1051 8.1857 119.4345 55.2085 18.4146 180.0980 117 G 3.6956 8.2740 104.1478 47.7232 0.0000 175.9538 118 I 3.7859 7.5654 121.7686 64.5324 37.0209 178.4053 119 Q 4.0301 8.0368 118.6777 58.6845 28.3926 178.6709 120 I 3.7150 7.7595 120.6073 64.3384 37.0252 177.8676 121 L 3.8422 7.7228 119.5983 58.1063 41.9176 178.6025 122 A 4.1376 7.9969 119.8162 54.8537 18.4414 178.9548 123 K 4.3573 7.8790 114.8794 57.0551 34.6366 177.5566 124 K 4.7074 8.6207 117.9533 53.5825 32.6679 175.0139 125 P 4.4743 0.0000 0.0000 65.5945 31.6792 179.1074 126 E 4.0651 8.1698 115.1655 58.3409 29.9086 176.9088 127 H 4.7946 8.5130 116.9243 55.5943 29.2082 176.1282 128 A 4.0597 7.8255 124.9266 55.6712 17.9663 180.6897 129 T 3.7972 7.8963 113.8144 66.6339 68.4903 176.6499 130 K 3.7660 8.1794 120.7176 59.2714 32.1413 179.5460 131 G 3.7607 7.9960 105.4951 47.7967 0.0000 175.6388 132 I 3.7422 7.5127 122.2494 64.1907 37.1885 178.6110 133 I 3.6273 7.6165 120.5273 64.3352 36.6977 178.2838 134 F 4.4827 7.5584 117.0473 60.9432 38.9727 177.4398 135 A 4.2142 8.1756 119.5604 55.0301 18.1618 179.5371 136 A 4.0258 8.3599 119.4819 55.3177 18.1610 179.6869 137 M 4.1414 7.8221 116.1971 58.2678 32.1482 178.5858 138 V 4.0522 7.8075 118.4910 65.3555 31.6986 177.4581 139 E 4.0191 8.1683 119.4909 59.4160 29.2650 178.5584 140 T 3.6254 7.8086 115.4551 67.1580 68.4943 175.5818 141 Y 4.1557 7.2271 117.4489 60.5648 37.8238 178.0426 142 A 4.1798 8.0779 121.6215 55.1520 18.5343 179.5708 143 I 3.3289 7.7709 118.3301 64.3999 37.1795 178.6079 144 L 4.0910 8.1614 120.1172 57.7994 41.4579 179.8795 145 G 4.0162 8.0862 106.6949 47.2144 0.0000 175.4951 146 F 4.2490 8.5079 123.3942 61.0283 39.3246 177.4042 147 V 3.3822 8.1379 118.1359 66.0128 31.3530 178.0495 148 I 3.6995 7.7716 119.4944 64.4740 36.8716 178.4989 149 S 4.4007 8.1152 117.2890 60.9232 62.8136 176.4530 150 F 3.7607 8.3058 123.5147 61.3792 38.8669 177.1423 151 L 4.0808 8.2171 118.5859 57.9111 41.2715 179.6337 152 L 4.0652 8.1222 118.9580 57.4363 41.3079 179.6542 153 V 3.6712 7.8218 117.9139 66.1058 31.6274 178.0106 154 L 4.0305 7.4895 116.5299 56.7062 41.4761 177.8548 155 N 4.6529 7.2048 113.0454 53.2407 39.5374 174.7933 156 A 3.9350 7.2465 126.3541 53.0864 18.4254 176.8860 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 8.16 4.53 0.00 2.17 2.16 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 2.66 2.66 0.00 2 M 8.19 3.94 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.79 0.00 3 D 8.40 4.35 0.00 2.80 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 4 Y 7.94 4.14 0.00 3.09 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 5 L 8.35 3.74 0.00 1.94 1.73 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.04 3.83 2.09 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 1.60 1.20 0.92 0.00 0.00 7 T 7.90 4.03 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 8 Q 7.89 4.28 0.00 1.60 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 9 N 7.35 4.10 0.00 2.78 2.79 0.00 0.00 6.77 7.53 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 10 G 8.65 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 0.00 0.00 0.00 0.00 11 G 7.83 3.92 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 0.00 0.00 0.00 12 M 8.21 4.01 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 13 V 7.53 3.50 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 0.74 0.00 0.00 0.21 0.00 0.00 14 F 7.91 4.43 0.00 3.31 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 15 A 8.12 4.08 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 16 V 8.08 3.51 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 0.99 0.00 0.00 0.98 0.00 0.00 17 L 8.11 4.02 0.00 2.00 1.98 1.01 1.19 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 18 A 8.32 4.11 1.57 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 19 M 8.14 4.02 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.74 0.00 20 A 8.12 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 21 T 8.39 4.00 4.52 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 1.42 0.00 0.00 22 A 8.13 4.09 1.53 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 0.00 0.00 23 T 7.92 3.80 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 1.30 0.00 0.00 24 I 8.02 3.52 1.51 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 1.36 0.67 0.16 0.00 0.00 25 F 7.76 4.09 0.00 2.79 2.79 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 26 S 7.86 4.30 0.00 4.19 4.22 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 27 G 8.19 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 0.00 0.00 0.00 0.00 28 I 8.14 3.80 1.95 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 1.36 0.60 0.88 0.00 0.00 29 G 7.99 3.67 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 0.00 0.00 0.00 30 S 8.36 4.58 0.00 3.86 3.87 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 31 A 8.31 3.94 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 32 K 8.32 4.00 0.00 1.87 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.56 7.81 33 G 8.19 3.54 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 34 V 8.56 3.84 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 1.06 0.00 0.00 0.93 0.00 0.00 35 G 8.28 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 36 M 8.30 4.01 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.04 4.03 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 1.24 0.00 0.00 38 G 8.45 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 39 E 8.51 3.96 0.00 2.21 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 0.00 2.33 2.50 0.00 40 A 8.01 4.00 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 41 A 8.51 3.96 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 42 A 8.41 3.99 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 43 A 7.76 3.95 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 44 L 7.98 4.06 0.00 1.81 1.87 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.17 4.14 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 46 T 7.64 4.11 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 1.25 0.00 0.00 47 S 7.54 4.63 0.00 4.05 3.98 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 48 Q 8.63 4.87 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 49 P 0.00 4.47 0.00 2.19 2.39 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.25 4.04 0.00 2.16 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 0.00 2.39 2.30 0.00 51 K 8.00 4.48 0.00 2.06 1.87 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.38 7.81 52 F 8.29 4.32 0.00 3.17 3.10 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 0.00 53 G 8.19 3.53 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 0.00 0.00 0.00 54 Q 7.98 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 55 A 8.02 3.97 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 56 L 7.87 3.70 0.00 1.11 1.46 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.21 3.62 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.86 0.00 0.00 58 L 7.67 4.10 0.00 1.85 1.71 0.93 0.79 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 59 Q 7.84 3.96 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 60 L 7.72 4.12 0.00 1.85 1.63 0.85 0.38 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 61 L 7.47 3.92 0.00 1.92 1.73 0.96 0.94 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 62 P 0.00 5.21 0.00 2.17 2.23 0.00 3.93 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 2.24 2.04 0.00 63 G 8.26 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 64 T 7.34 3.69 3.39 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 1.04 0.00 0.00 65 Q 8.00 4.14 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.76 2.67 0.00 66 G 8.35 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 67 L 7.11 4.02 0.00 1.57 1.60 0.74 0.61 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 68 Y 7.80 4.37 0.00 3.22 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 69 G 8.33 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 0.00 0.00 0.00 0.00 70 F 8.46 4.18 0.00 3.25 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 71 V 8.38 3.75 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 1.52 0.00 0.00 1.19 0.00 0.00 72 I 8.27 3.78 2.20 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 2.09 0.98 0.99 0.00 0.00 73 A 8.25 3.99 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 74 F 8.23 3.97 0.00 2.74 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 75 L 8.11 3.93 0.00 1.83 1.84 0.78 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.84 3.57 1.89 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 1.45 0.55 0.33 0.00 0.00 77 F 8.06 3.95 0.00 3.00 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 78 I 7.18 3.60 1.68 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 0.44 0.00 0.00 79 N 7.19 4.72 0.00 2.88 2.98 0.00 0.00 6.99 7.95 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 80 L 6.99 4.09 0.00 1.44 1.39 0.62 0.57 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 81 G 7.83 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 0.00 0.00 0.00 0.00 82 S 7.91 4.17 0.00 3.99 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 0.00 83 D 7.94 4.64 0.00 2.64 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 84 M 7.66 4.13 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.59 0.00 85 S 8.49 4.35 0.00 4.09 3.98 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 86 V 8.25 3.75 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 1.09 0.00 0.00 1.10 0.00 0.00 87 V 7.79 3.50 2.05 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 0.92 0.00 0.00 0.89 0.00 0.00 88 Q 8.03 3.93 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.27 0.00 89 G 8.31 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 0.00 0.00 0.00 90 L 8.30 3.98 0.00 1.69 1.57 0.66 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.15 4.25 0.00 2.68 2.61 0.00 0.00 6.95 7.68 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 92 F 8.12 4.30 0.00 3.37 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 93 L 7.95 4.19 0.00 1.95 1.95 1.08 1.29 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 94 G 8.48 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 0.00 0.00 0.00 95 A 8.22 4.09 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 96 S 8.10 4.28 0.00 4.27 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 0.00 97 L 7.79 4.19 0.00 1.85 1.98 0.98 1.19 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 98 P 0.00 4.37 0.00 2.35 2.19 0.00 3.89 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 8.05 3.86 2.07 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 1.84 1.46 1.13 0.00 0.00 100 A 8.00 3.97 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 0.00 101 F 8.28 4.58 0.00 3.28 3.29 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 0.00 102 T 8.49 4.27 4.56 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 1.38 0.00 0.00 103 G 8.43 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 0.00 104 L 8.03 3.98 0.00 2.04 1.86 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.44 4.24 0.00 3.43 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 0.00 106 S 8.76 4.45 0.00 4.24 4.36 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 0.00 107 G 8.25 3.67 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 0.00 0.00 0.00 108 I 7.66 3.70 1.90 0.00 0.00 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 1.43 1.43 0.94 0.00 0.00 109 A 8.16 4.05 1.47 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 0.00 0.00 110 Q 8.79 4.09 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 111 G 8.18 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 0.00 0.00 0.00 112 K 7.96 4.02 0.00 1.99 1.88 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.62 7.81 113 V 7.74 3.60 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 1.15 0.00 0.00 1.00 0.00 0.00 114 A 8.27 4.02 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 0.00 115 A 8.32 4.07 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 0.00 116 A 8.19 4.11 1.42 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 0.00 117 G 8.27 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 0.00 118 I 7.57 3.79 2.07 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 1.73 0.83 0.95 0.00 0.00 119 Q 8.04 4.03 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 120 I 7.76 3.71 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 1.01 0.00 0.00 121 L 7.72 3.84 0.00 1.65 1.98 0.92 1.14 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 0.00 122 A 8.00 4.14 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 0.00 123 K 7.88 4.36 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.62 7.81 124 K 8.62 4.71 0.00 1.75 1.80 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.52 7.81 125 P 0.00 4.47 0.00 2.21 2.43 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.17 4.07 0.00 2.01 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 0.00 1.95 2.14 0.00 127 H 8.51 4.79 0.00 3.28 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.83 4.06 1.33 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 0.00 0.00 0.00 129 T 7.90 3.80 4.20 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 1.16 0.00 0.00 130 K 8.18 3.77 0.00 1.89 1.55 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.41 7.81 131 G 8.00 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 0.00 0.00 0.00 132 I 7.51 3.74 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.88 0.00 0.00 133 I 7.62 3.63 1.69 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 1.44 0.93 0.78 0.00 0.00 134 F 7.56 4.48 0.00 3.22 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 0.00 135 A 8.18 4.21 1.42 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 0.00 136 A 8.36 4.03 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 0.00 137 M 7.82 4.14 0.00 2.14 2.41 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 2.76 3.02 0.00 138 V 7.81 4.05 2.29 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 1.22 0.00 0.00 1.04 0.00 0.00 139 E 8.17 4.02 0.00 2.19 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 0.00 2.36 2.47 0.00 140 T 7.81 3.63 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 0.76 0.00 0.00 141 Y 7.23 4.16 0.00 3.23 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 0.00 142 A 8.08 4.18 1.56 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 0.00 0.00 143 I 7.77 3.33 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.73 0.83 0.00 0.00 144 L 8.16 4.09 0.00 1.75 1.77 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.09 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 0.00 146 F 8.51 4.25 0.00 2.91 3.01 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 0.00 147 V 8.14 3.38 2.07 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 1.02 0.00 0.00 0.95 0.00 0.00 148 I 7.77 3.70 1.91 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 1.75 0.86 0.93 0.00 0.00 149 S 8.12 4.40 0.00 4.12 3.95 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 0.00 150 F 8.31 3.76 0.00 2.62 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 0.00 151 L 8.22 4.08 0.00 1.90 1.72 0.93 0.78 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 0.00 152 L 8.12 4.07 0.00 1.89 1.68 0.93 0.65 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 0.00 153 V 7.82 3.67 2.05 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 0.89 0.00 0.00 1.03 0.00 0.00 154 L 7.49 4.03 0.00 1.75 1.65 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.20 4.65 0.00 2.79 2.72 0.00 0.00 7.13 7.84 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 0.00 156 A 7.25 3.94 0.14 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 0.00 0.00