NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 M 4.4966 8.1514 120.3347 54.9000 33.7323 175.9062 18 G 3.5374 8.4175 105.6213 46.9908 0.0000 174.2374 19 L 3.9519 7.9979 122.4035 57.8488 42.6877 176.6948 20 E 3.9279 8.0860 118.8037 59.4056 29.5440 177.8176 21 D 4.2309 8.4417 118.2195 57.4375 41.2439 178.2071 22 K 3.8226 8.0733 118.6349 59.6859 32.2819 179.2155 23 V 3.5362 7.9992 118.6988 66.1644 31.2903 178.2415 24 S 3.6588 7.9514 113.7763 61.0343 62.8378 176.2907 25 K 4.2224 8.0965 123.7535 58.7808 31.9155 178.8928 26 Q 4.1526 8.0554 120.7348 58.5995 28.7874 178.4631 27 L 3.9544 7.6147 119.6533 57.6301 41.4501 179.3488 28 E 4.0730 8.8530 119.1566 59.5370 29.3809 179.3211 29 S 4.1563 8.3775 114.6583 61.6848 62.6525 176.3280 30 K 4.2229 7.8683 119.2190 56.2071 32.2413 176.8400 31 G 3.7897 8.4551 107.4262 46.5703 0.0000 173.9717 32 I 4.1270 7.9763 120.8510 59.9221 37.8376 177.1186 33 K 4.2110 8.6134 127.8400 55.3853 30.5133 175.6635 34 F 4.9148 8.2090 119.7519 54.7399 40.3205 175.3628 35 E 4.5209 8.8163 119.8857 54.6347 31.2849 175.1071 36 Y 4.5133 8.5652 125.3592 58.1523 40.0732 175.5418 37 E 3.5122 7.7098 128.1287 57.4278 26.9130 175.3503 38 E 4.1929 7.9436 119.9265 56.2177 30.8516 175.3530 39 W 5.1869 7.8432 116.8912 55.1324 32.9435 174.2875 40 K 4.5746 8.8318 121.2253 54.6550 33.6579 176.0581 41 V 4.2135 8.2034 122.4359 60.5028 32.0061 173.6395 42 P 4.4076 0.0000 0.0000 62.4030 31.5534 175.4302 43 Y 4.9154 7.8528 120.4272 55.0859 41.2599 174.5533 44 S 4.4348 8.6552 113.9345 56.4518 64.8563 173.0416 45 N 4.8856 8.7871 124.2384 52.1473 39.9970 173.4452 46 N 4.9591 8.2116 121.8996 51.1316 39.2676 174.7208 47 Q 4.4462 8.4157 120.8675 54.7720 30.5294 174.4301 48 Q 4.5501 8.3739 119.4121 54.3433 31.4249 174.1777 49 N 5.2332 8.3496 121.1024 51.5983 41.9285 173.3079 50 Y 4.6464 8.4006 116.7957 56.2802 41.4537 175.2216 51 S 4.6734 8.4436 119.1647 56.5810 64.8838 174.7236 52 S 4.3597 8.5868 120.0459 58.1592 61.7725 173.0076 53 H 5.1127 8.4004 123.4138 54.3433 31.3381 174.2263 54 T 4.6657 8.1097 109.4779 60.2638 71.3652 172.6683 55 Y 4.8157 8.3805 124.4422 56.5628 41.2726 175.7221 56 T 4.0727 6.2793 118.8733 61.4681 70.0837 172.1933 57 P 4.9411 0.0000 0.0000 61.9845 32.1480 177.0354 58 D 4.1416 8.5862 119.4959 56.8319 41.1950 176.9316 59 F 4.9829 8.7237 117.3835 55.4389 42.0527 174.5123 60 L 4.6044 8.3158 124.7128 52.7255 42.6048 176.1415 61 L 4.2335 8.3161 125.9746 53.6052 42.3352 176.8893 62 P 4.2185 0.0000 0.0000 65.8602 31.3963 177.2177 63 N 4.5683 8.0340 113.0115 53.0205 37.7592 175.0819 64 G 4.0017 8.6966 110.7464 46.4194 0.0000 174.9223 65 I 3.5529 7.1391 120.1780 61.2757 37.6888 174.4141 66 F 5.1244 9.5412 123.9586 55.9587 41.0379 174.7165 67 V 4.7866 8.9450 124.9222 61.2016 33.6182 173.8488 68 E 5.0144 9.3344 129.7113 54.5602 31.8490 174.8205 69 T 4.8215 8.8228 117.7351 61.1429 70.7495 174.3938 70 K 4.2259 9.3188 125.7402 56.7293 35.5690 174.7392 71 G 3.6272 9.3473 118.1831 46.8411 0.0000 174.7581 72 L 4.3870 9.2185 123.0291 54.2726 42.9811 175.4610 73 W 4.8390 9.0720 135.0000 55.6337 29.5604 175.8017 74 E 4.0627 8.2979 124.2483 55.8519 30.8903 177.5435 75 S 3.6754 8.3635 115.9614 61.2643 62.6274 175.8879 76 D 4.3269 7.8761 121.6143 57.4256 40.6017 177.7366 77 D 4.2961 7.9261 117.7701 57.6151 41.0666 178.6793 78 R 3.1744 7.2133 118.4869 58.7251 29.7226 179.1756 79 K 3.9261 7.9970 118.3825 59.3206 32.1101 179.2381 80 K 3.7820 8.0033 118.2234 60.1336 31.9610 178.6608 81 H 4.0144 8.3472 116.0439 58.8437 28.4811 177.8342 82 L 3.9872 7.6925 120.4965 57.7869 41.4171 179.2730 83 L 4.2666 7.9342 120.3717 57.4861 41.5520 179.5601 84 I 3.5995 8.1375 119.7350 64.5364 36.8015 178.3273 85 R 3.9409 7.8734 117.7457 59.8271 30.1527 178.4685 86 E 4.0566 8.0001 117.5933 59.7526 29.3488 179.5712 87 Q 4.0134 8.8001 118.2706 58.1938 30.3613 176.9271 88 H 5.7135 8.6723 116.0781 52.7525 29.2130 172.4766 89 P 4.4846 0.0000 0.0000 64.5863 31.9437 177.8713 90 E 4.2140 8.1479 116.6816 57.1901 30.2275 175.8940 91 L 4.9192 7.7857 119.8395 53.0204 44.1734 175.1180 92 D 4.8853 8.6853 121.4239 52.8054 43.1122 174.9386 93 I 5.0956 8.4090 126.6013 59.8613 40.0652 175.2167 94 R 4.8151 9.5129 126.2030 54.3984 33.8633 174.9956 95 I 5.0052 8.7973 120.2830 59.5524 41.1725 175.1073 96 V 4.9060 8.5300 125.3301 61.4870 34.2794 174.8081 97 F 5.8924 9.1958 126.3960 55.3928 41.6556 176.7664 98 S 4.3823 8.9326 114.5687 60.3168 64.0184 174.4016 99 S 4.4662 7.7853 109.8319 57.8505 64.4418 175.8035 100 S 4.0121 8.7850 122.7901 58.5659 63.1202 175.9626 101 R 4.0062 7.2290 119.6330 58.2390 30.8591 177.2831 102 T 3.5191 6.9930 113.1659 63.6087 68.9578 173.1608 103 K 4.5279 7.9180 123.9120 55.2289 33.2693 176.9217 104 L 4.3304 8.3837 123.7653 58.3650 41.8589 176.7569 105 Y 4.7535 6.7673 113.5698 55.5143 40.4239 173.3568 106 K 3.9547 8.8837 119.5491 58.1790 32.2916 177.4698 107 G 3.8859 8.8378 109.8579 45.9441 0.0000 173.2897 108 S 3.6186 7.7362 115.5465 57.2181 62.3103 171.8817 109 P 4.6521 0.0000 0.0000 62.9623 31.4222 175.6124 110 T 5.5074 7.8396 114.8159 61.2500 71.9190 173.2863 111 S 5.0072 8.6181 120.0830 56.8828 65.3195 174.4886 112 Y 4.6073 9.0660 121.6553 61.6368 37.5478 179.6568 113 G 2.8812 7.6162 105.8346 47.6136 0.0000 175.2539 114 E 4.1317 8.0386 122.7700 58.3465 29.2388 178.9366 115 F 4.0821 8.5004 119.9602 62.0906 39.2471 177.0281 116 C 4.5258 8.6194 115.7892 62.9118 27.9707 176.0281 117 E 3.8524 8.3543 120.4803 59.0719 28.8954 179.0689 118 K 4.0854 8.3303 119.1759 58.6161 32.1990 177.0240 119 H 4.7263 7.5053 113.4878 54.8257 29.3039 173.9454 120 G 3.9185 7.7803 107.1695 46.7050 0.0000 173.7400 121 I 4.4610 8.6745 121.9521 59.4584 38.4791 176.0662 122 K 4.4621 8.7351 127.4881 56.1622 33.1625 176.1325 123 F 6.3000 8.4869 118.5109 54.6979 41.6872 173.2793 124 A 4.6206 8.7896 117.8088 51.4312 22.2203 174.6713 125 D 5.0030 8.6321 118.9431 53.9007 42.5761 174.8369 126 K 4.0862 9.3408 124.4421 56.4738 31.4374 175.9801 127 L 4.7762 7.1012 117.5473 52.4211 45.7737 176.5756 128 I 3.5067 8.0408 121.0331 60.4506 37.2245 175.2153 129 P 3.9736 0.0000 0.0000 62.8836 32.8813 177.2890 130 A 4.0162 8.3656 122.4162 55.0853 18.1733 179.9041 131 E 3.9569 8.1028 116.1922 59.5344 29.8546 179.2191 132 W 4.7406 8.0356 119.5612 59.5351 29.0480 178.3572 133 I 3.7961 7.4563 117.9647 64.0937 36.6576 177.7483 134 K 4.3310 8.1955 116.5267 55.5465 32.4892 177.0581 135 E 4.0707 7.7749 121.1717 55.3494 29.9969 174.7409 136 P 4.2691 0.0000 0.0000 62.9939 31.5274 175.9665 137 K 4.3012 8.6616 122.7980 56.4999 33.1165 175.8375 138 K 4.4676 8.4143 120.3812 55.6388 34.9265 174.9284 139 E 4.0224 9.0102 123.9847 56.8414 30.4090 176.9618 140 V 4.1855 8.1398 121.8872 60.2936 33.9630 175.2571 141 P 4.6737 0.0000 0.0000 62.1625 28.7589 176.8925 142 F 4.1974 8.0602 121.6278 60.8916 39.7736 176.9157 143 D 4.5505 8.2525 120.7026 57.4358 40.8242 178.0407 144 R 4.3235 8.0563 114.4465 56.7105 29.7674 175.4662 145 L 4.9013 7.3931 117.8386 52.6920 45.2480 175.5480 146 K 4.6933 8.2185 117.5568 54.7016 35.4075 176.1543 147 R 4.4464 8.3515 122.0573 54.5834 31.3217 176.3959 148 K 4.1096 8.6411 122.0008 57.3791 32.3601 176.5695 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 17 M 8.15 4.50 0.00 2.08 2.12 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 2.61 2.52 0.00 18 G 8.42 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 19 L 8.00 3.95 0.00 1.77 1.68 0.92 0.88 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 20 E 8.09 3.93 0.00 2.28 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 0.00 2.66 2.50 0.00 21 D 8.44 4.23 0.00 2.76 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 22 K 8.07 3.82 0.00 1.97 1.84 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.76 7.81 23 V 8.00 3.54 2.18 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 0.95 0.00 0.00 0.99 0.00 0.00 24 S 7.95 3.66 0.00 4.14 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 25 K 8.10 4.22 0.00 2.00 1.90 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 1.46 1.70 7.81 26 Q 8.06 4.15 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 27 L 7.61 3.95 0.00 1.48 1.42 0.22 0.60 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 28 E 8.85 4.07 0.00 2.22 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 0.00 2.51 2.73 0.00 29 S 8.38 4.16 0.00 4.02 4.15 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 30 K 7.87 4.22 0.00 1.77 1.92 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.55 7.81 31 G 8.46 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 32 I 7.98 4.13 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 1.01 0.00 0.00 33 K 8.61 4.21 0.00 1.74 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.38 7.81 34 F 8.21 4.91 0.00 3.25 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.82 4.52 0.00 2.13 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 2.25 2.37 0.00 36 Y 8.57 4.51 0.00 3.21 2.98 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 37 E 7.71 3.51 0.00 1.52 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.47 0.00 38 E 7.94 4.19 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.47 0.00 39 W 7.84 5.19 0.00 3.25 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 40 K 8.83 4.57 0.00 1.79 1.76 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.41 7.81 41 V 8.20 4.21 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 0.90 0.00 0.00 0.98 0.00 0.00 42 P 0.00 4.41 0.00 2.09 1.97 0.00 3.72 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 43 Y 7.85 4.92 0.00 2.98 2.90 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 44 S 8.66 4.43 0.00 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.79 4.89 0.00 3.09 2.88 0.00 0.00 7.08 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.21 4.96 0.00 2.80 2.78 0.00 0.00 6.93 7.28 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 47 Q 8.42 4.45 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 48 Q 8.37 4.55 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 1.99 2.26 0.00 49 N 8.35 5.23 0.00 2.63 2.65 0.00 0.00 6.83 7.46 0.00 0.00 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 Y 8.40 4.65 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.44 4.67 0.00 3.45 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 52 S 8.59 4.36 0.00 4.01 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 53 H 8.40 5.11 0.00 3.14 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.11 4.67 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 1.24 0.00 0.00 55 Y 8.38 4.82 0.00 2.74 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 6.28 4.07 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 1.06 0.00 0.00 57 P 0.00 4.94 0.00 2.21 2.11 0.00 3.47 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.89 0.00 58 D 8.59 4.14 0.00 2.67 1.83 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 59 F 8.72 4.98 0.00 3.13 2.90 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 60 L 8.32 4.60 0.00 1.54 1.59 -0.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.32 4.23 0.00 1.94 1.57 1.02 0.97 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 62 P 0.00 4.22 0.00 2.03 2.13 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 63 N 8.03 4.57 0.00 3.10 3.07 0.00 0.00 6.45 7.13 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 64 G 8.70 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 0.00 0.00 0.00 65 I 7.14 3.55 1.90 0.00 0.00 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 1.15 0.67 0.78 0.00 0.00 66 F 9.54 5.12 0.00 3.14 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 67 V 8.94 4.79 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.11 0.00 0.00 68 E 9.33 5.01 0.00 2.17 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 2.25 0.00 69 T 8.82 4.82 4.29 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 1.41 0.00 0.00 70 K 9.32 4.23 0.00 1.41 1.13 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.93 1.52 7.81 71 G 9.35 3.63 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 0.00 0.00 0.00 72 L 9.22 4.39 0.00 1.73 1.73 1.15 1.02 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 73 W 9.07 4.84 0.00 2.77 1.74 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 74 E 8.30 4.06 0.00 1.95 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 2.45 2.33 0.00 75 S 8.36 3.68 0.00 3.71 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.88 4.33 0.00 2.67 2.62 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 77 D 7.93 4.30 0.00 2.76 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 78 R 7.21 3.17 0.00 1.49 1.15 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 79 K 8.00 3.93 0.00 1.91 1.81 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.65 7.81 80 K 8.00 3.78 0.00 1.85 1.61 0.00 1.69 0.00 0.00 1.94 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.51 7.81 81 H 8.35 4.01 0.00 3.59 3.57 0.00 5.82 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 82 L 7.69 3.99 0.00 1.84 1.68 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.93 4.27 0.00 1.80 1.71 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.14 3.60 1.73 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.87 0.00 0.00 85 R 7.87 3.94 0.00 2.00 2.04 0.00 3.27 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 86 E 8.00 4.06 0.00 2.17 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 2.36 0.00 87 Q 8.80 4.01 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.29 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 88 H 8.67 5.71 0.00 3.22 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.48 0.00 2.17 2.18 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 90 E 8.15 4.21 0.00 2.15 2.24 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 2.37 2.28 0.00 91 L 7.79 4.92 0.00 1.75 1.61 0.64 0.94 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 92 D 8.69 4.89 0.00 2.70 2.53 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 93 I 8.41 5.10 1.93 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 1.32 0.82 1.10 0.00 0.00 94 R 9.51 4.82 0.00 1.35 1.51 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.30 0.00 95 I 8.80 5.01 1.43 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.60 -0.63 0.00 0.00 96 V 8.53 4.91 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 1.04 0.00 0.00 1.03 0.00 0.00 97 F 9.20 5.89 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 98 S 8.93 4.38 0.00 3.87 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 99 S 7.79 4.47 0.00 3.77 3.61 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 0.00 100 S 8.78 4.01 0.00 3.71 4.40 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 0.00 101 R 7.23 4.01 0.00 1.77 1.90 0.00 3.33 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 102 T 6.99 3.52 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 0.76 0.00 0.00 103 K 7.92 4.53 0.00 1.54 1.44 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.28 7.81 104 L 8.38 4.33 0.00 1.59 1.96 1.14 0.78 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 0.00 105 Y 6.77 4.75 0.00 3.19 3.07 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 0.00 106 K 8.88 3.95 0.00 1.88 1.89 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.45 7.81 107 G 8.84 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 0.00 108 S 7.74 3.62 0.00 2.72 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 0.00 109 P 0.00 4.65 0.00 2.21 2.10 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 110 T 7.84 5.51 4.27 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 1.34 0.00 0.00 111 S 8.62 5.01 0.00 3.92 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 0.00 112 Y 9.07 4.61 0.00 2.39 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.62 2.88 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 0.00 114 E 8.04 4.13 0.00 2.20 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 2.34 2.26 0.00 115 F 8.50 4.08 0.00 3.21 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.62 4.53 0.00 3.34 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 0.00 117 E 8.35 3.85 0.00 2.29 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 2.54 2.71 0.00 118 K 8.33 4.09 0.00 1.63 1.76 0.00 1.62 0.00 0.00 1.35 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.04 1.32 7.81 119 H 7.51 4.73 0.00 3.09 3.24 0.00 6.01 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.78 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 0.00 121 I 8.67 4.46 2.19 0.00 0.00 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 1.40 0.82 1.14 0.00 0.00 122 K 8.74 4.46 0.00 1.48 1.56 0.00 1.42 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 123 F 8.49 6.30 0.00 3.69 3.42 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 0.00 124 A 8.79 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.63 5.00 0.00 2.59 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 0.00 126 K 9.34 4.09 0.00 1.90 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.41 7.81 127 L 7.10 4.78 0.00 1.48 1.43 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.04 3.51 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.40 1.01 0.00 0.00 129 P 0.00 3.97 0.00 0.97 1.49 0.00 2.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.52 0.00 130 A 8.37 4.02 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 0.00 131 E 8.10 3.96 0.00 2.01 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 0.00 2.30 2.37 0.00 132 W 8.04 4.74 0.00 3.51 3.21 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 0.00 133 I 7.46 3.80 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.91 0.00 0.00 134 K 8.20 4.33 0.00 1.73 1.86 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.69 7.81 135 E 7.77 4.07 0.00 2.30 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 136 P 0.00 4.27 0.00 2.17 2.08 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 137 K 8.66 4.30 0.00 1.79 1.77 0.00 1.64 0.00 0.00 0.61 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.44 7.81 138 K 8.41 4.47 0.00 1.74 1.71 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.42 7.81 139 E 9.01 4.02 0.00 1.88 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 2.36 2.33 0.00 140 V 8.14 4.19 1.62 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 0.18 0.00 0.00 0.76 0.00 0.00 141 P 0.00 4.67 0.00 2.24 2.20 0.00 3.67 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 1.99 1.96 0.00 142 F 8.06 4.20 0.00 3.10 3.24 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 0.00 143 D 8.25 4.55 0.00 2.75 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 0.00 144 R 8.06 4.32 0.00 1.88 1.97 0.00 3.28 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 145 L 7.39 4.90 0.00 1.73 1.57 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 146 K 8.22 4.69 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.39 7.81 147 R 8.35 4.45 0.00 1.81 1.84 0.00 3.26 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 148 K 8.64 4.11 0.00 1.89 1.79 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.45 7.81