NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4123 8.2893 120.3486 55.3557 33.0035 174.6815 2 N 4.6484 8.5877 124.1633 51.4172 38.8956 173.0202 3 I 4.5650 8.8365 121.4588 59.5523 41.7273 176.3264 4 I 4.3468 8.3263 124.1488 59.6383 38.3336 175.1304 5 K 4.4404 8.5880 124.9305 54.4011 33.9188 176.3071 6 A 4.5447 8.3817 126.5001 50.8627 20.5569 175.0705 7 N 5.0531 8.1960 116.8049 51.9517 41.5185 175.5923 8 V 3.9078 8.1663 114.0344 62.5284 32.3269 176.8419 9 A 4.2500 8.0632 123.6452 52.1761 18.7383 178.1306 10 A 4.6665 8.3059 122.8434 51.2533 21.6592 174.1241 11 P 4.6145 0.0000 0.0000 64.6777 32.2352 178.8269 12 D 4.6415 8.0676 115.7893 54.2659 40.5606 175.7963 13 A 4.6037 7.6657 124.5249 51.8765 20.1754 178.3890 14 R 4.8024 9.5750 120.7438 55.1693 32.7038 175.7473 15 V 4.9443 8.6933 124.6063 60.0126 34.6727 174.0204 16 A 4.9035 8.4592 128.5117 50.0569 21.5711 175.1435 17 I 4.7999 8.6008 123.7821 59.5600 39.6362 174.6747 18 T 4.7503 8.5509 117.6760 59.9975 70.7722 173.4680 19 I 5.2274 8.3202 126.4021 58.2521 40.5381 174.4895 20 A 5.0159 8.4147 127.6903 51.2870 19.2131 177.9867 21 R 4.4349 9.4198 119.6264 58.5665 30.2294 177.0782 22 F 4.6228 8.1986 121.0705 59.9223 39.7068 174.3315 23 N 4.6464 9.8658 123.6782 54.5446 35.6845 176.0602 24 Q 4.1572 8.3867 120.5270 59.5354 28.0364 178.0023 25 F 3.9102 8.4962 121.3883 61.1396 39.4057 176.5282 26 I 4.1983 8.2472 118.6922 63.8543 37.5846 177.7975 27 N 4.3763 8.3030 116.5784 56.3199 38.2617 176.9865 28 D 4.4637 8.7341 120.8478 57.6031 40.9755 178.7893 29 S 4.0807 7.9566 113.0515 60.9781 62.4369 175.4290 30 L 4.0593 7.8328 123.3126 58.4281 41.6472 178.5431 31 L 3.8448 8.2384 120.3422 57.9384 42.0195 178.4532 32 D 4.5159 8.3701 118.8057 57.4403 40.8799 179.7406 33 G 3.5808 8.1156 105.6097 47.8656 0.0000 175.1594 34 A 3.9251 7.9474 123.3595 54.7651 18.4159 179.2454 35 V 3.4445 8.0175 116.3552 66.3437 31.5611 177.4205 36 D 4.3177 8.2177 117.1207 57.6574 40.9666 177.8879 37 A 3.9544 8.2946 121.1040 55.8200 18.4287 178.9931 38 L 3.8660 8.4435 116.8014 59.3497 41.7852 179.7957 39 T 4.1966 8.2670 110.8533 64.1398 68.5830 176.2626 40 R 3.8630 8.2842 123.4805 58.2203 30.3649 178.4348 41 I 4.2258 7.7374 118.1549 63.5464 38.0713 177.7368 42 G 3.8278 7.8089 103.6786 44.2465 0.0000 173.8483 43 Q 3.8169 8.0754 120.7465 56.4279 28.2096 172.9137 44 V 3.7137 7.4643 116.6536 62.1761 32.2135 175.1901 45 K 4.2547 8.5685 128.7922 56.2613 32.5784 176.5954 46 D 4.6733 8.7968 124.4097 54.0328 39.1979 176.1827 47 D 4.7835 7.9715 117.3463 53.7404 40.1673 176.3601 48 N 4.7165 8.5180 117.8240 53.7119 39.4547 174.1740 49 I 4.8438 7.6053 120.1609 60.4148 38.2997 175.2333 50 T 4.7104 8.8472 117.3530 59.7024 71.8634 173.0052 51 V 4.6224 8.4182 123.7841 61.0369 34.1485 174.5069 52 V 4.3260 8.9243 128.5061 60.8105 33.7940 174.4047 53 W 4.9163 9.0025 128.9821 56.4822 29.5694 176.4602 54 V 4.3560 8.7129 119.1062 59.0147 33.7454 174.5240 55 P 4.3357 0.0000 0.0000 65.0342 31.2335 177.0333 56 G 4.4549 7.9665 108.2635 42.9080 0.0000 174.1269 57 A 4.0691 8.4802 120.7041 54.8662 18.0889 179.2861 58 Y 4.1993 8.1611 117.0545 60.6694 39.2357 177.4471 59 E 4.1264 8.2757 119.2408 58.2202 29.6060 178.6838 60 L 3.8783 7.6411 119.2928 58.1392 41.5991 177.0308 61 P 4.1772 0.0000 0.0000 64.7759 31.1259 177.9975 62 L 3.8963 7.6784 117.9670 58.4745 42.3982 179.2723 63 A 3.9811 7.8019 120.0683 55.6519 18.3325 179.8373 64 T 3.8434 8.2056 108.3645 64.4515 68.7338 176.3084 65 E 3.8481 8.9769 122.9548 59.1769 29.6948 178.3456 66 A 4.0109 7.9355 120.6035 55.5351 18.2000 179.5829 67 L 4.1129 7.6090 115.0848 57.8850 41.9296 179.4946 68 A 4.2188 8.2851 120.7398 55.1873 18.2430 179.7709 69 K 3.8914 8.1983 116.1416 59.7107 32.1448 178.9964 70 S 4.1997 8.0806 112.7847 59.4345 62.2543 175.9152 71 G 3.9604 8.5769 110.5589 46.3289 0.0000 176.1538 72 K 3.8378 7.7948 120.5445 56.3910 31.8363 182.1939 73 Y 5.0998 6.9412 113.8285 56.7811 40.5121 175.5125 74 D 4.7210 9.1263 122.1190 55.8973 41.8220 176.5135 75 A 4.5413 7.3412 117.4151 51.2333 22.4252 175.0861 76 V 4.7243 8.1767 120.3400 61.0317 34.5793 174.4700 77 V 4.3579 8.7352 128.2202 61.4732 33.4445 174.1981 78 A 4.8906 8.6165 130.3321 49.7995 20.6510 175.2335 79 L 5.2396 7.9245 123.0771 52.8798 44.2348 176.4216 80 G 4.1965 7.7473 108.2014 46.1513 0.0000 171.9291 81 T 5.0921 8.1706 116.4752 61.4990 71.8364 174.4604 82 V 4.2140 8.9055 125.0116 61.3733 34.1710 173.8347 83 I 4.7145 8.1910 128.6791 59.5786 38.6823 175.9756 84 R 3.6541 8.4966 127.8271 56.5380 30.2824 176.3601 85 G 4.4215 8.3467 116.1318 44.3454 0.0000 172.9845 86 G 3.6414 8.7822 107.7193 47.4526 0.0000 173.2563 87 T 4.5254 7.5963 108.3703 59.7097 71.5535 173.5370 88 A 4.4587 8.3622 121.3069 52.7108 18.8759 178.5362 89 H 4.2479 8.3282 119.6102 60.2013 29.8267 176.8357 90 F 4.0220 8.4789 121.8732 61.5588 39.0080 176.6104 91 E 3.6054 7.9677 118.3327 59.5497 29.3734 178.3934 92 Y 4.3219 7.3844 115.8666 60.6305 38.0230 177.6764 93 V 3.6615 7.6681 119.2926 65.9784 31.6188 177.9254 94 A 4.0901 7.7637 120.0980 55.2660 18.0882 179.3755 95 G 3.6612 8.2012 104.9494 47.5935 0.0000 175.8722 96 G 3.8946 8.7586 108.1673 45.7767 0.0000 174.6543 97 A 4.2986 7.7466 122.6306 54.2823 19.7939 179.0472 98 S 4.1422 8.2462 111.8420 61.9113 62.3666 176.2882 99 N 4.4474 8.4481 119.2439 55.8998 38.3102 177.4957 100 G 3.6931 7.6891 106.0053 47.9921 0.0000 175.5612 101 L 3.9856 8.0381 121.7394 57.2105 41.7190 179.4547 102 A 3.9623 8.0118 120.6037 55.1840 18.2839 179.5602 103 S 3.9357 8.2306 111.5876 61.5560 62.4636 176.1913 104 V 3.5571 7.7572 120.6802 66.2605 31.1560 177.7759 105 A 4.3167 7.8809 121.3825 54.7767 17.9971 179.4031 106 Q 3.9130 7.7555 116.9335 59.2612 29.1631 177.8427 107 D 4.5272 8.0449 119.3197 57.0176 41.2339 178.4671 108 S 4.3558 8.2946 112.8221 58.6216 63.4774 175.5346 109 G 3.8847 8.0295 109.3963 45.8093 0.0000 173.7660 110 V 3.9780 7.4637 120.9761 61.5995 33.0822 173.6101 111 P 4.5055 0.0000 0.0000 62.6421 32.5315 175.1648 112 V 4.9172 8.3898 123.4953 61.0364 33.9712 174.2403 113 A 4.4427 8.8631 130.4205 50.9716 20.4064 176.2724 114 F 4.7549 9.0012 126.7162 56.2220 38.3942 175.8837 115 G 3.9433 8.0785 117.8951 44.8561 0.0000 170.9887 116 V 4.5724 6.1066 117.5208 60.5775 33.7639 176.1129 117 L 4.2486 8.7825 129.5715 55.1715 42.7736 176.6731 118 T 5.1337 8.5043 112.8142 59.9081 68.9719 172.5825 119 T 4.5981 8.6895 121.3421 61.0066 71.9725 175.1171 120 E 4.1072 9.8377 120.7278 57.2360 30.5737 177.2372 121 S 4.7283 7.5978 111.8783 55.5704 67.6755 174.8067 122 I 3.6855 8.2136 123.0867 64.2879 36.6962 177.9867 123 E 3.9222 8.2362 119.8142 59.7522 29.1338 178.9677 124 Q 4.1494 7.8747 116.0013 58.8037 29.0376 178.2336 125 A 4.1654 7.8041 121.7795 55.4373 18.3282 179.7048 126 I 3.7469 7.8904 118.1492 64.6929 37.1928 178.5432 127 E 4.5326 8.0073 120.5121 58.1625 29.2594 178.4730 128 R 4.5480 7.9719 115.7790 55.7279 30.5263 176.7655 129 A 4.8352 7.2192 121.9656 52.7088 19.4815 176.9256 130 G 4.4367 7.8534 108.2426 48.1365 0.0000 175.4994 131 T 4.6173 7.5514 115.2367 60.0891 68.7904 175.7309 132 K 3.7987 9.2084 117.1033 59.3295 31.7648 177.8194 133 A 4.5878 7.7443 119.1489 52.0047 20.0711 178.9869 134 G 3.7184 8.1111 110.0829 47.5846 0.0000 174.2647 135 N 5.2641 8.2441 117.9793 50.8787 40.9119 175.4124 136 K 4.0181 8.9730 128.9060 59.0616 32.1178 179.0672 137 G 4.0639 8.3060 107.6441 47.3561 0.0000 175.6441 138 A 4.0570 7.8769 123.4267 54.2960 18.4373 179.2411 139 E 3.8343 8.4128 117.8696 59.4270 29.8435 178.9455 140 A 4.0685 8.5823 122.2680 54.3794 18.4426 179.4518 141 A 3.9160 8.1545 119.4939 55.2457 18.3677 179.9204 142 L 3.9193 8.1270 117.8085 58.2154 41.2526 179.8878 143 T 3.8324 8.1264 109.3600 64.4873 68.4530 176.2999 144 A 3.9632 7.8162 123.6542 55.0739 18.4185 179.1887 145 L 3.8838 7.7646 117.0824 58.1307 41.7636 179.2218 146 E 4.1748 8.2982 120.4098 59.0445 29.4270 178.8712 147 M 4.0365 8.0271 118.2841 58.4408 31.9516 178.4398 148 I 3.6899 7.7438 119.8667 64.8105 37.2746 178.1468 149 N 4.3073 7.9539 116.4585 56.2866 38.1672 177.5193 150 V 3.5844 7.9152 118.8719 66.1299 31.7731 177.8796 151 L 4.0780 8.4017 118.8822 57.7630 41.3792 179.1496 152 K 3.8398 8.0888 118.4943 59.5666 32.0920 177.0473 153 A 4.4643 8.1657 120.3105 51.7563 19.3714 177.2543 154 I 3.8857 7.8239 120.9658 63.1732 37.7311 173.9678 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 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.65 0.00 2.95 2.79 0.00 0.00 6.07 6.93 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 3 I 8.84 4.57 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 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.35 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 1.41 0.60 0.91 0.00 0.00 5 K 8.59 4.44 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.39 7.81 6 A 8.38 4.54 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 7 N 8.20 5.05 0.00 2.73 2.64 0.00 0.00 6.85 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 8 V 8.17 3.91 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 9 A 8.06 4.25 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 10 A 8.31 4.67 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 11 P 0.00 4.61 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 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 12 D 8.07 4.64 0.00 2.69 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 13 A 7.67 4.60 1.30 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 0.00 0.00 14 R 9.58 4.80 0.00 1.42 1.79 0.00 3.22 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.69 4.94 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 0.89 0.00 0.00 0.95 0.00 0.00 16 A 8.46 4.90 0.25 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 17 I 8.60 4.80 1.68 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 1.17 0.84 0.69 0.00 0.00 18 T 8.55 4.75 4.13 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 0.00 0.00 0.00 1.09 0.00 0.00 19 I 8.32 5.23 0.69 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.18 0.45 0.00 0.00 20 A 8.41 5.02 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 21 R 9.42 4.43 0.00 2.07 2.52 0.00 2.87 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.20 4.62 0.00 3.16 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 23 N 9.87 4.65 0.00 2.98 2.99 0.00 0.00 6.88 8.09 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 24 Q 8.39 4.16 0.00 2.52 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.50 3.91 0.00 3.14 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 26 I 8.25 4.20 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.77 0.95 0.00 0.00 27 N 8.30 4.38 0.00 2.88 2.92 0.00 0.00 7.06 8.08 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 28 D 8.73 4.46 0.00 2.65 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 29 S 7.96 4.08 0.00 3.82 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 30 L 7.83 4.06 0.00 1.93 1.63 0.96 0.55 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 31 L 8.24 3.84 0.00 1.77 1.81 0.77 1.37 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 32 D 8.37 4.52 0.00 2.86 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 33 G 8.12 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 0.00 0.00 0.00 34 A 7.95 3.93 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 35 V 8.02 3.44 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 0.98 0.00 0.00 0.94 0.00 0.00 36 D 8.22 4.32 0.00 2.84 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 37 A 8.29 3.95 1.39 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 0.00 0.00 0.00 38 L 8.44 3.87 0.00 1.83 1.72 0.89 0.63 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 39 T 8.27 4.20 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 40 R 8.28 3.86 0.00 1.83 2.22 0.00 3.24 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 41 I 7.74 4.23 2.10 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 1.45 0.96 0.91 0.00 0.00 42 G 7.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.08 3.82 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.46 3.71 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 0.88 0.00 0.00 1.01 0.00 0.00 45 K 8.57 4.25 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.67 0.00 2.83 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 47 D 7.97 4.78 0.00 2.79 2.81 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 48 N 8.52 4.72 0.00 2.88 3.00 0.00 0.00 6.93 7.37 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 49 I 7.61 4.84 1.88 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 1.40 0.52 0.89 0.00 0.00 50 T 8.85 4.71 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 1.51 0.00 0.00 51 V 8.42 4.62 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 0.48 0.00 0.00 0.84 0.00 0.00 52 V 8.92 4.33 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 9.00 4.92 0.00 3.21 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 54 V 8.71 4.36 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 0.98 0.00 0.00 55 P 0.00 4.34 0.00 2.19 2.30 0.00 3.75 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 2.16 2.05 0.00 56 G 7.97 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 57 A 8.48 4.07 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 58 Y 8.16 4.20 0.00 2.92 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 59 E 8.28 4.13 0.00 2.00 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 0.00 2.64 2.58 0.00 60 L 7.64 3.88 0.00 1.77 1.69 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.18 0.00 2.02 1.94 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 62 L 7.68 3.90 0.00 1.63 1.67 0.92 1.02 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 63 A 7.80 3.98 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 64 T 8.21 3.84 4.19 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 1.19 0.00 0.00 65 E 8.98 3.85 0.00 1.99 2.17 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 2.31 2.33 0.00 66 A 7.94 4.01 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 67 L 7.61 4.11 0.00 1.78 1.66 0.63 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.29 4.22 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 69 K 8.20 3.89 0.00 1.73 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.61 7.81 70 S 8.08 4.20 0.00 3.93 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 71 G 8.58 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 72 K 7.79 3.84 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.29 7.81 73 Y 6.94 5.10 0.00 2.96 2.97 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 0.00 0.00 0.00 74 D 9.13 4.72 0.00 2.55 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 75 A 7.34 4.54 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 76 V 8.18 4.72 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 0.92 0.00 0.00 0.85 0.00 0.00 77 V 8.74 4.36 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.62 4.89 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 79 L 7.92 5.24 0.00 1.38 1.41 0.80 0.64 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 80 G 7.75 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 0.00 0.00 0.00 0.00 81 T 8.17 5.09 4.31 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 1.20 0.00 0.00 82 V 8.91 4.21 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 0.88 0.00 0.00 0.87 0.00 0.00 83 I 8.19 4.71 1.85 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 1.24 0.70 0.88 0.00 0.00 84 R 8.50 3.65 0.00 0.67 1.39 0.00 3.08 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 85 G 8.35 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 86 G 8.78 3.64 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 0.00 0.00 0.00 87 T 7.60 4.53 4.31 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 1.24 0.00 0.00 88 A 8.36 4.46 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 89 H 8.33 4.25 0.00 3.27 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.02 0.00 3.10 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 91 E 7.97 3.61 0.00 1.95 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 2.01 2.19 0.00 92 Y 7.38 4.32 0.00 2.99 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 93 V 7.67 3.66 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 1.05 0.00 0.00 0.74 0.00 0.00 94 A 7.76 4.09 0.95 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 0.00 0.00 95 G 8.20 3.66 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 0.00 0.00 0.00 96 G 8.76 3.89 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 0.00 0.00 0.00 97 A 7.75 4.30 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 98 S 8.25 4.14 0.00 3.70 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 99 N 8.45 4.45 0.00 2.80 2.83 0.00 0.00 6.96 7.27 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 0.00 100 G 7.69 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 0.00 101 L 8.04 3.99 0.00 1.88 1.81 1.04 0.77 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 0.00 102 A 8.01 3.96 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 0.00 103 S 8.23 3.94 0.00 3.97 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 0.00 104 V 7.76 3.56 2.23 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 1.02 0.00 0.00 0.93 0.00 0.00 105 A 7.88 4.32 1.39 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 0.00 0.00 0.00 106 Q 7.76 3.91 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.04 4.53 0.00 2.70 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 0.00 108 S 8.29 4.36 0.00 4.03 4.04 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 0.00 0.00 0.00 109 G 8.03 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 0.00 0.00 0.00 110 V 7.46 3.98 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 0.96 0.00 0.00 1.03 0.00 0.00 111 P 0.00 4.51 0.00 2.12 1.96 0.00 3.78 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 2.12 2.09 0.00 112 V 8.39 4.92 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 0.81 0.00 0.00 0.96 0.00 0.00 113 A 8.86 4.44 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 0.00 114 F 9.00 4.75 0.00 3.01 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 0.00 115 G 8.08 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 0.00 116 V 6.11 4.57 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 0.68 0.00 0.00 0.07 0.00 0.00 117 L 8.78 4.25 0.00 1.61 1.58 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.50 5.13 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 1.24 0.00 0.00 119 T 8.69 4.60 4.41 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 1.23 0.00 0.00 120 E 9.84 4.11 0.00 1.96 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 2.30 2.30 0.00 121 S 7.60 4.73 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 0.00 122 I 8.21 3.69 1.84 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 1.48 0.72 0.87 0.00 0.00 123 E 8.24 3.92 0.00 2.06 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 2.38 2.49 0.00 124 Q 7.87 4.15 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 125 A 7.80 4.17 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 0.00 126 I 7.89 3.75 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.93 0.99 0.00 0.00 127 E 8.01 4.53 0.00 2.20 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 2.34 2.40 0.00 128 R 7.97 4.55 0.00 1.87 1.94 0.00 3.12 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.22 4.84 1.27 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 0.00 0.00 130 G 7.85 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 0.00 0.00 0.00 0.00 131 T 7.55 4.62 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 1.27 0.00 0.00 132 K 9.21 3.80 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.74 4.59 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 0.00 134 G 8.11 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 0.00 135 N 8.24 5.26 0.00 2.69 2.65 0.00 0.00 6.93 6.87 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 0.00 136 K 8.97 4.02 0.00 1.82 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.31 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 0.00 138 A 7.88 4.06 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 0.00 139 E 8.41 3.83 0.00 2.05 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 2.31 2.33 0.00 140 A 8.58 4.07 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 0.00 141 A 8.15 3.92 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 0.00 142 L 8.13 3.92 0.00 1.99 1.72 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.13 3.83 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 1.27 0.00 0.00 144 A 7.82 3.96 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 0.00 145 L 7.76 3.88 0.00 1.83 1.89 0.97 0.82 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 0.00 146 E 8.30 4.17 0.00 2.01 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 2.32 2.24 0.00 147 M 8.03 4.04 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 148 I 7.74 3.69 2.04 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 1.69 0.84 0.92 0.00 0.00 149 N 7.95 4.31 0.00 2.93 2.86 0.00 0.00 6.73 8.98 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 0.00 150 V 7.92 3.58 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 0.83 0.00 0.00 0.96 0.00 0.00 151 L 8.40 4.08 0.00 1.92 1.69 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.09 3.84 0.00 1.84 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.17 4.46 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 0.00 154 I 7.82 3.89 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 1.16 0.72 0.91 0.00 0.00