NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5240 8.3049 120.3248 55.7588 33.4886 173.9941 2 H 4.5618 8.1584 114.9851 55.3674 32.7005 172.5641 3 D 4.5367 8.9975 124.2328 53.9657 40.8139 175.1495 4 I 3.8102 8.3966 115.0060 62.2457 39.4532 173.9355 5 D 4.2920 9.5478 123.6465 53.2858 47.3800 177.7220 6 D 4.3441 9.2618 114.8592 53.4963 41.7179 171.7258 7 Y 4.4330 8.2272 119.3831 55.9391 37.2791 174.0754 8 P 4.3298 0.0000 0.0000 65.1951 31.1455 176.0726 9 Q 4.0877 7.7285 122.9036 51.9834 35.3831 169.9202 10 A 3.5745 7.9140 135.0000 51.6617 16.8525 176.9298 11 K 4.0757 8.0365 124.0229 56.4328 32.7966 180.4930 12 R 4.2831 7.5127 117.8105 56.7142 34.2682 173.7072 13 V 3.6602 8.1302 116.3366 65.6930 31.5049 174.9431 14 P 4.9671 0.0000 0.0000 62.3804 32.5458 175.2195 15 G 3.9230 8.6519 109.4612 46.7276 0.0000 173.0823 16 L 4.7510 7.9539 121.2963 53.8785 43.9097 175.6594 17 V 5.1599 7.7751 122.2229 61.4500 34.5106 172.8644 18 V 4.9231 8.1464 116.0191 59.9156 36.1050 173.8732 19 Y 5.7442 8.5748 119.1265 55.8687 39.9240 176.1570 20 R 4.1912 8.6235 121.4678 55.9127 30.9501 175.4081 21 Y 4.2334 8.7725 122.2171 57.7276 38.2777 177.3049 22 D 4.8126 8.1220 121.3469 51.6630 39.6460 174.3885 23 A 4.6650 7.5895 120.1673 50.0356 22.5320 174.4151 24 P 4.4435 0.0000 0.0000 63.2464 29.4498 175.9987 25 L 4.5921 8.8712 123.6130 54.2449 43.7532 179.7258 26 C 3.9025 8.9649 121.5872 59.9371 30.5698 172.8145 27 F 4.8284 9.2982 120.2457 57.9443 42.3947 173.5508 28 A 3.8765 7.5428 122.4365 55.7219 18.2242 178.6823 29 N 4.7413 7.7741 109.2016 52.4151 37.9128 176.1150 30 A 4.4968 7.6791 122.3699 55.1483 18.2879 179.3459 31 E 4.0521 7.7966 118.5247 59.4363 29.8150 178.1082 32 D 4.3902 7.9027 117.6503 56.8518 41.5397 178.1923 33 F 4.2115 8.4041 121.6249 61.2936 39.5502 177.0001 34 R 3.4148 8.1657 118.5955 59.5839 29.8129 177.8392 35 R 3.8599 7.8964 119.6608 58.5744 30.0646 177.9213 36 R 3.8307 8.8004 118.0533 59.9379 30.1394 178.3098 37 A 3.9159 7.7678 120.0764 55.2156 18.2967 179.6413 38 L 3.9647 7.8514 116.4323 58.1027 41.4637 180.0569 39 T 3.9212 8.3889 116.4649 66.1944 68.1276 176.7426 40 V 3.9098 7.4049 119.2814 63.6157 32.0078 178.0817 41 V 3.8733 7.3523 111.1848 61.1566 31.6941 175.3056 42 D 4.7486 8.5384 118.4145 56.3407 38.7933 174.2168 43 Q 4.8027 8.1033 118.4621 55.5819 30.2891 174.2014 44 D 4.8274 7.9735 117.0045 55.7264 47.3800 174.6755 45 P 4.3098 0.0000 0.0000 64.9799 31.7376 176.5028 46 G 3.7517 8.2860 107.0968 44.2828 0.0000 173.1317 47 Q 4.0948 8.6310 125.7498 55.9321 28.9062 175.2478 48 V 4.5024 8.1444 124.6180 59.8199 34.8517 175.0993 49 E 5.4656 9.5817 124.9546 54.7016 30.5813 174.3964 50 W 6.0768 8.7073 123.5935 57.2124 31.8438 172.5963 51 F 5.2752 7.9850 112.4698 57.2073 40.3613 173.1515 52 V 4.8977 8.0297 112.0382 59.4749 35.3311 174.7816 53 L 6.0299 8.6772 122.9607 52.9653 44.1707 175.5592 54 N 4.5503 8.7853 117.4313 53.7313 37.9629 173.9514 55 A 4.3353 8.5762 122.8174 53.5769 18.3856 177.7472 56 E 4.4955 8.7203 116.1461 56.4542 32.1879 176.1797 57 S 4.4146 8.3333 113.6834 57.1661 64.0754 174.6487 58 N 4.1811 9.2586 118.1466 53.8490 37.0978 176.1067 59 V 3.8569 7.5949 119.3423 65.9965 31.9966 176.3537 60 E 4.5272 7.9415 115.5059 56.4570 30.5456 177.1932 61 V 3.8567 7.6343 112.7117 62.7217 32.1330 175.0614 62 D 5.1471 7.9659 118.5803 52.1910 42.5516 174.6777 63 L 4.7610 8.1844 125.7981 54.3526 44.9094 176.9362 64 T 3.3342 8.6069 116.6257 64.5922 66.2303 174.3080 65 A 4.0216 7.5523 125.7385 55.2557 18.1351 179.9356 66 L 3.9339 7.3793 115.5995 60.1456 40.5680 178.3080 67 D 4.2764 8.1462 118.4834 56.5241 40.8942 177.7878 68 A 4.1058 8.1050 120.4141 55.2013 18.9959 179.4987 69 L 3.9240 7.8600 117.6309 58.3768 42.3205 178.6194 70 D 4.3741 8.4995 118.1756 56.8345 41.2735 177.9763 71 Q 4.0048 7.9397 118.6213 59.1102 28.9331 179.0253 72 L 4.1265 7.8851 119.9816 59.0330 40.6002 178.0497 73 R 3.9005 8.3723 121.0369 59.5199 29.9683 178.1175 74 T 4.0316 8.5134 114.4014 64.4532 67.3936 176.4578 75 E 3.8981 7.9024 120.5453 58.8700 30.1270 178.0725 76 L 4.3559 7.8173 117.9564 55.9261 42.1934 178.8183 77 L 3.8256 8.3537 121.7530 58.0488 42.0548 178.7346 78 R 4.0465 7.6710 110.7569 57.3168 29.1127 177.0278 79 R 4.4398 7.5943 117.3031 57.0001 31.6759 176.6807 80 G 3.8143 7.7895 107.9847 44.9497 0.0000 173.6797 81 I 4.2689 8.2133 115.0212 58.9805 37.1416 175.6102 82 V 5.3867 6.8848 122.9862 59.1745 35.2491 174.4800 83 F 4.9790 8.1611 118.7281 56.6487 44.3581 172.8287 84 A 5.2256 8.2115 117.4171 51.6142 22.7855 175.5372 85 M 5.8205 9.5848 117.7190 53.8889 35.3031 173.9521 86 A 5.3977 8.7493 122.4899 50.2464 23.0243 176.5569 87 R 4.5220 9.3133 112.8171 55.6162 29.7200 174.3573 88 V 2.9775 7.7288 121.9165 62.9143 28.3829 170.7202 89 K 4.4201 9.7337 122.2529 55.4453 34.2711 177.8030 90 Q 5.3643 7.8156 130.9574 56.2263 30.1196 174.5034 91 D 4.6040 7.8666 118.5560 57.6007 40.6262 178.5992 92 L 4.1857 7.6423 119.3492 59.1470 40.3388 179.5915 93 R 3.8858 7.8150 118.9382 58.5410 30.3271 178.6594 94 E 3.8991 8.1708 117.3112 59.7302 29.7587 179.0863 95 S 4.1291 8.5469 115.4595 60.6449 62.2303 176.1263 96 L 4.2164 7.6373 120.7346 57.6904 41.4112 179.3408 97 R 4.0615 7.8347 117.1030 59.1295 29.9840 178.4382 98 A 4.2913 7.8872 119.7679 53.0789 19.5889 178.9527 99 A 4.5306 8.3107 124.8460 50.6740 18.4202 176.6790 100 S 4.4613 8.0345 116.7610 59.0690 63.9529 175.7039 101 L 4.3871 7.7446 120.3095 55.9708 40.4084 178.3486 102 L 3.9699 7.6826 123.1818 58.4434 41.5253 178.1583 103 D 4.3326 8.2017 117.3217 56.7877 41.0288 177.4435 104 K 4.3831 7.8611 117.4274 58.1958 33.9100 178.2180 105 I 3.9130 7.8386 112.7837 59.3750 38.4360 178.6104 106 G 3.8796 8.8148 110.1457 46.9946 0.0000 174.4911 107 E 4.3673 9.1750 117.2053 56.6474 28.7773 177.6908 108 D 4.3740 8.0902 119.7008 56.8745 41.4963 175.6212 109 H 5.0751 7.9440 120.0113 54.1849 30.4497 171.0449 110 I 3.9539 8.0577 121.4183 59.3195 40.9918 173.4830 111 F 5.2028 8.2098 119.1637 57.7240 42.0170 175.0327 112 M 3.1517 9.1058 118.9712 56.5368 30.4761 174.3744 113 T 4.6635 7.7766 117.0509 63.1735 76.4400 175.7678 114 L 3.4631 8.0526 121.3497 57.4538 41.1468 177.4325 115 P 4.2148 0.0000 0.0000 66.1416 31.3721 178.1632 116 T 4.0868 7.7331 110.0644 63.8575 67.4781 176.3589 117 A 3.6150 7.7287 123.0689 55.2904 18.5214 180.0780 118 V 3.7527 7.7954 111.0370 64.2753 31.2904 178.5716 119 Q 3.8950 7.2504 118.8021 59.1464 29.1385 178.1507 120 A 4.0023 7.5610 121.2731 54.9998 18.4326 179.1214 121 F 4.7373 8.0607 113.3985 58.8030 39.1954 176.9787 122 R 4.6719 7.6760 116.6984 55.8331 30.4977 176.0157 123 R 4.3376 7.3213 116.8904 56.5923 33.4333 174.9072 124 R 4.2223 8.6133 120.3786 56.7452 30.7438 175.8133 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 4.52 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 2 H 8.16 4.56 0.00 3.15 3.12 0.00 6.01 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 9.00 4.54 0.00 2.98 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 4 I 8.40 3.81 1.91 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 1.30 0.32 0.94 0.00 0.00 5 D 9.55 4.29 0.00 2.47 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 0.00 0.00 0.00 0.00 6 D 9.26 4.34 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.23 4.43 0.00 3.01 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.33 0.00 2.32 2.13 0.00 3.84 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 2.22 2.15 0.00 9 Q 7.73 4.09 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.30 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 10 A 7.91 3.57 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 11 K 8.04 4.08 0.00 1.77 1.69 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.51 7.81 12 R 7.51 4.28 0.00 1.95 1.94 0.00 3.13 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 13 V 8.13 3.66 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 0.95 0.00 0.00 0.89 0.00 0.00 14 P 0.00 4.97 0.00 2.26 2.07 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 15 G 8.65 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 16 L 7.95 4.75 0.00 2.19 1.85 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.78 5.16 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.11 0.00 0.00 18 V 8.15 4.92 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 0.95 0.00 0.00 1.15 0.00 0.00 19 Y 8.57 5.74 0.00 2.82 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 20 R 8.62 4.19 0.00 1.73 1.69 0.00 3.16 0.00 0.00 3.39 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 21 Y 8.77 4.23 0.00 3.24 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.12 4.81 0.00 2.85 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 23 A 7.59 4.67 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 24 P 0.00 4.44 0.00 2.08 2.22 0.00 3.67 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 2.05 2.10 0.00 25 L 8.87 4.59 0.00 1.73 1.96 1.30 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.96 3.90 0.00 3.21 2.76 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 27 F 9.30 4.83 0.00 3.35 2.96 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 28 A 7.54 3.88 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 29 N 7.77 4.74 0.00 2.80 2.92 0.00 0.00 5.93 6.76 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 30 A 7.68 4.50 1.60 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 31 E 7.80 4.05 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 32 D 7.90 4.39 0.00 2.84 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 33 F 8.40 4.21 0.00 3.11 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 34 R 8.17 3.41 0.00 2.15 2.06 0.00 3.26 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 35 R 7.90 3.86 0.00 2.11 2.05 0.00 3.28 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 36 R 8.80 3.83 0.00 2.08 1.93 0.00 3.20 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 37 A 7.77 3.92 1.11 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 0.00 0.00 38 L 7.85 3.96 0.00 1.98 2.03 0.91 0.76 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 39 T 8.39 3.92 4.34 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 1.20 0.00 0.00 40 V 7.40 3.91 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 0.79 0.00 0.00 0.90 0.00 0.00 41 V 7.35 3.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.67 0.00 0.00 42 D 8.54 4.75 0.00 2.46 3.04 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 43 Q 8.10 4.80 0.00 2.50 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 44 D 7.97 4.83 0.00 2.62 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.31 0.00 2.19 2.04 0.00 3.80 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 1.99 2.06 0.00 46 G 8.29 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.63 4.09 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 48 V 8.14 4.50 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 0.70 0.00 0.00 0.78 0.00 0.00 49 E 9.58 5.47 0.00 2.11 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 0.00 2.42 2.22 0.00 50 W 8.71 6.08 0.00 3.52 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 51 F 7.99 5.28 0.00 3.02 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.03 4.90 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 0.46 0.00 0.00 0.81 0.00 0.00 53 L 8.68 6.03 0.00 1.78 1.78 0.91 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.79 4.55 0.00 2.89 2.89 0.00 0.00 6.15 7.33 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 55 A 8.58 4.34 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 56 E 8.72 4.50 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 57 S 8.33 4.41 0.00 4.13 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 9.26 4.18 0.00 2.77 2.88 0.00 0.00 7.35 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.59 3.86 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 0.83 0.00 0.00 0.93 0.00 0.00 60 E 7.94 4.53 0.00 1.98 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 2.24 2.37 0.00 61 V 7.63 3.86 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 0.70 0.00 0.00 0.93 0.00 0.00 62 D 7.97 5.15 0.00 2.50 2.50 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 63 L 8.18 4.76 0.00 1.89 1.53 0.98 0.53 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 64 T 8.61 3.33 3.38 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 0.29 0.00 0.00 65 A 7.55 4.02 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 66 L 7.38 3.93 0.00 1.85 1.90 0.89 0.97 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 67 D 8.15 4.28 0.00 2.62 2.38 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 68 A 8.10 4.11 1.70 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 69 L 7.86 3.92 0.00 1.78 1.88 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.50 4.37 0.00 2.77 2.83 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 71 Q 7.94 4.00 0.00 2.49 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 72 L 7.89 4.13 0.00 1.92 1.95 1.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.37 3.90 0.00 2.06 1.89 0.00 3.04 0.00 0.00 3.06 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 74 T 8.51 4.03 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 1.22 0.00 0.00 75 E 7.90 3.90 0.00 2.07 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 0.00 2.31 2.34 0.00 76 L 7.82 4.36 0.00 1.85 1.94 0.97 0.48 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 77 L 8.35 3.83 0.00 1.68 1.54 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.67 4.05 0.00 1.94 2.17 0.00 3.17 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 79 R 7.59 4.44 0.00 2.00 2.00 0.00 3.28 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 80 G 7.79 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 81 I 8.21 4.27 1.85 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 1.47 1.57 1.00 0.00 0.00 82 V 6.88 5.39 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 0.91 0.00 0.00 0.15 0.00 0.00 83 F 8.16 4.98 0.00 2.78 2.78 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 84 A 8.21 5.23 1.11 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 0.00 0.00 85 M 9.58 5.82 0.00 1.95 2.21 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 2.52 2.31 0.00 86 A 8.75 5.40 1.50 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 0.00 0.00 87 R 9.31 4.52 0.00 1.87 2.05 0.00 3.21 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.52 0.00 88 V 7.73 2.98 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 0.60 0.00 0.00 0.08 0.00 0.00 89 K 9.73 4.42 0.00 1.80 1.87 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.61 1.59 7.81 90 Q 7.82 5.36 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.81 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 91 D 7.87 4.60 0.00 3.03 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 92 L 7.64 4.19 0.00 1.77 1.36 0.78 0.53 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 93 R 7.81 3.89 0.00 1.91 2.00 0.00 3.27 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 94 E 8.17 3.90 0.00 2.19 2.19 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 2.50 2.41 0.00 95 S 8.55 4.13 0.00 3.91 4.09 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 96 L 7.64 4.22 0.00 1.92 1.74 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.83 4.06 0.00 1.97 1.99 0.00 3.32 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.78 0.00 98 A 7.89 4.29 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 99 A 8.31 4.53 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 0.00 100 S 8.03 4.46 0.00 3.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.74 4.39 0.00 1.82 1.89 0.91 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.68 3.97 0.00 1.91 1.71 0.91 0.97 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 0.00 103 D 8.20 4.33 0.00 2.69 2.71 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 0.00 104 K 7.86 4.38 0.00 1.93 1.89 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.40 7.81 105 I 7.84 3.91 1.85 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 1.77 0.61 0.88 0.00 0.00 106 G 8.81 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 0.00 107 E 9.18 4.37 0.00 1.93 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 2.25 2.26 0.00 108 D 8.09 4.37 0.00 2.69 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 0.00 109 H 7.94 5.08 0.00 2.99 3.13 0.00 5.54 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.06 3.95 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.46 0.78 0.00 0.00 111 F 8.21 5.20 0.00 2.92 3.02 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 0.00 112 M 9.11 3.15 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 113 T 7.78 4.66 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 1.10 0.00 0.00 114 L 8.05 3.46 0.00 1.32 0.66 -0.19 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.21 0.00 2.14 2.17 0.00 3.50 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 116 T 7.73 4.09 4.17 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 1.15 0.00 0.00 117 A 7.73 3.62 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 0.00 118 V 7.80 3.75 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 0.70 0.00 0.00 1.03 0.00 0.00 119 Q 7.25 3.90 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 120 A 7.56 4.00 0.88 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 0.00 121 F 8.06 4.74 0.00 3.01 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 0.00 122 R 7.68 4.67 0.00 1.95 1.99 0.00 3.50 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 123 R 7.32 4.34 0.00 1.70 2.03 0.00 3.63 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 124 R 8.61 4.22 0.00 1.98 1.91 0.00 3.69 0.00 0.00 3.48 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00