NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.1718 8.3444 119.6886 56.0286 29.6674 176.0543 2 D 4.3730 8.7545 124.2716 53.7918 41.4003 175.6416 3 A 4.0853 8.9690 132.0482 55.3459 17.4944 178.2433 4 A 3.9999 8.1933 118.6474 55.5399 18.3087 179.8962 5 S 4.5125 8.2004 113.3174 61.4580 62.9701 176.8837 6 G 3.7148 8.3857 108.8263 47.5828 0.0000 175.3423 7 E 2.6457 7.7179 120.8766 58.9128 29.6355 178.6676 8 Q 4.1000 7.5012 117.9478 58.7072 28.6129 178.6964 9 V 3.6341 7.5387 119.5855 65.8944 31.5404 177.8302 10 F 4.1148 8.6656 120.4536 60.6427 38.9036 176.9693 11 K 3.9026 7.5065 117.8550 59.5741 31.8344 178.6393 12 Q 4.1023 7.5930 117.1801 59.1142 28.8617 177.8905 13 C 3.8313 7.3768 118.3714 62.0556 27.9877 175.1341 14 L 4.5279 7.3590 122.8686 57.5496 41.5041 178.9225 15 V 3.6752 7.6548 116.8681 65.5192 31.7194 175.9267 16 C 4.6593 7.8731 114.0437 59.6603 31.2815 173.5837 17 H 5.2125 8.5085 115.9706 53.9125 31.7863 173.4647 18 S 5.1757 8.4705 116.6069 57.1642 66.1258 173.0467 19 I 4.3436 8.2034 120.6258 60.6769 40.4431 174.6849 20 G 3.6861 8.6874 111.4651 43.3120 0.0000 171.0912 21 P 4.2061 0.0000 0.0000 63.6250 31.7508 177.4223 22 G 3.7733 8.8887 108.4976 45.8335 0.0000 173.6975 23 A 4.0795 7.3916 122.2320 51.8460 18.8101 177.6173 24 K 4.7346 8.1188 119.9910 54.4327 35.8714 175.8136 25 N 4.6536 8.5677 117.1668 53.5249 40.0262 174.7532 26 K 4.6419 8.0555 122.4557 55.9263 32.6224 179.0777 27 V 3.7323 8.8391 125.7596 65.9299 31.6736 175.4944 28 G 4.0364 7.9045 105.9268 42.9413 0.0000 170.9994 29 P 4.6290 0.0000 0.0000 61.7593 32.2833 176.4373 30 V 3.7170 8.3697 121.5442 63.0671 32.0171 175.7788 31 L 4.4847 8.0242 126.1264 54.4391 41.8655 176.3651 32 N 4.2813 7.9758 116.8359 54.1400 39.2380 175.2966 33 G 3.9389 7.9374 110.7433 46.7278 0.0000 174.7597 34 L 3.8125 7.6145 122.1937 57.6222 42.6910 176.6777 35 F 4.6552 7.4193 116.5218 58.8969 39.1328 175.2888 36 G 4.1365 9.8995 116.0174 44.9970 0.0000 173.8734 37 R 4.4222 7.8430 116.5347 55.9964 31.1468 175.8933 38 H 4.8339 8.7948 118.5197 55.2246 29.6660 175.4929 39 S 4.2011 8.4485 117.8761 59.1127 63.5632 174.1398 40 G 2.2357 8.4163 109.1928 46.6469 0.0000 174.1056 41 T 4.5614 7.7255 106.6590 60.5711 69.6123 173.9627 42 I 3.9328 8.0098 125.5506 61.1706 37.5556 175.3517 43 E 4.1722 8.7028 124.1138 57.6746 30.0058 177.3356 44 G 3.9732 9.1521 110.8205 45.0445 0.0000 172.7815 45 F 4.3931 7.4731 120.3093 56.4878 40.5264 175.6834 46 A 4.2014 6.6505 130.6315 50.8536 17.5601 176.5546 47 Y 4.5563 8.0624 118.7040 57.9299 39.1839 176.6235 48 S 4.5956 8.5884 116.9759 57.9207 65.6735 175.1264 49 D 4.3246 8.5935 121.6241 57.3944 40.3805 178.4885 50 A 4.0307 8.1339 119.8278 55.4160 18.3821 178.7952 51 N 4.4771 8.2926 114.9845 56.6466 39.0479 177.0827 52 K 3.7776 8.1519 119.7769 58.9077 31.9100 177.4925 53 N 4.8475 8.4202 115.0168 52.9460 38.6169 176.9951 54 S 4.0506 7.6702 118.0154 59.5061 63.2214 175.6510 55 G 3.8275 7.4116 104.5587 45.6480 0.0000 173.3077 56 I 3.8749 6.9592 120.0743 60.8221 38.5068 175.0002 57 T 4.3902 7.8073 121.4459 61.2873 71.2445 173.9929 58 W 4.8012 8.9631 127.0961 56.8903 29.5867 175.5694 59 T 5.0354 8.5890 114.9883 59.5945 71.5027 175.2538 60 E 3.9663 8.8922 121.3909 59.5761 29.1181 179.3767 61 E 3.9730 8.1861 118.6858 59.5017 29.9451 178.9568 62 V 3.7376 8.0702 118.3444 65.9270 31.4960 177.6856 63 F 4.6215 9.1282 121.0012 61.4683 39.0497 177.1301 64 R 3.9613 8.2477 117.6880 59.3122 30.1749 177.8458 65 E 4.1311 8.1768 119.2367 59.1784 29.7394 178.1568 66 Y 4.1449 8.2854 119.6135 60.8951 38.9732 177.8778 67 I 3.4459 7.8046 119.3240 63.5147 37.6597 177.8049 68 R 4.0701 7.1730 120.0470 58.0085 31.2935 176.4466 69 D 4.5654 7.8462 117.5811 51.0787 42.9534 173.0713 70 P 3.7630 0.0000 0.0000 64.9842 31.3162 177.7415 71 K 4.0628 8.0200 115.7665 59.2190 32.2306 178.4475 72 A 4.1641 7.8820 121.8317 54.3694 18.6850 178.7159 73 K 4.3875 8.0367 116.4960 57.3883 34.2315 176.8043 74 I 4.6728 8.0803 120.0454 57.8521 37.7925 171.6282 75 P 4.5967 0.0000 0.0000 63.5851 31.7115 177.9413 76 G 3.9657 8.9415 109.8284 45.3337 0.0000 173.4738 77 T 4.1226 7.4294 113.7536 62.0388 67.7923 174.3742 78 K 4.2540 8.6194 125.2547 58.3753 32.6671 178.0406 79 M 4.3232 7.5146 120.0512 54.7234 30.1182 174.4155 80 I 4.1409 7.6470 120.4415 60.0585 36.6359 174.9666 81 F 4.8684 8.1978 125.8411 56.1167 42.4371 174.4050 82 A 3.6986 7.8686 130.5832 54.2089 18.3820 177.3732 83 G 3.6205 5.5804 99.9010 44.7665 0.0000 173.0514 84 V 4.2161 9.0195 119.4014 60.9129 32.0683 176.4138 85 K 3.9800 8.5178 127.7849 58.6479 32.8291 177.9830 86 D 4.4037 7.9895 119.0291 53.8248 41.9141 175.8940 87 E 3.9506 8.9095 127.8232 59.6363 29.7247 178.5881 88 Q 3.9928 8.1563 118.8820 59.1166 29.2691 177.9280 89 K 4.0036 8.5122 119.6099 59.5262 32.0646 179.4485 90 V 3.7756 7.8220 118.1005 66.2871 31.5703 178.3158 91 S 4.2892 7.9866 115.0344 61.6912 62.6395 176.4701 92 D 4.4415 8.3209 121.7858 56.9601 40.5974 178.4047 93 L 4.1785 8.6822 121.2851 58.4200 42.1166 179.0999 94 I 3.7593 8.4306 119.8372 64.4708 36.8340 178.2430 95 A 3.9729 7.7881 120.1835 55.1898 18.3061 178.9086 96 Y 4.2220 8.2551 117.9432 61.1046 39.1397 178.1441 97 I 3.5197 7.9709 120.7334 64.2306 36.9788 178.5018 98 K 4.2200 8.1516 118.0903 58.9336 32.0823 178.9123 99 Q 3.8481 7.7071 118.4226 56.8366 28.3823 175.7313 100 F 4.9566 7.3537 119.0733 56.1383 40.4966 175.2818 101 N 4.9719 8.8504 122.2589 51.6666 39.8331 176.1491 102 A 4.0460 8.5786 122.7574 55.1030 18.3551 178.2748 103 D 4.6022 8.1061 112.8499 53.2925 39.8975 177.2392 104 G 4.1220 8.9125 110.3995 46.6889 0.0000 174.2690 105 S 4.3581 8.2001 114.6993 57.8220 63.7283 173.2132 106 K 4.3117 8.2854 123.7126 55.1887 32.7838 176.8492 107 K 3.9747 8.6196 125.2867 57.0975 31.9807 176.4898 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 Q 8.34 4.17 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.08 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 2 D 8.75 4.37 0.00 2.80 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 3 A 8.97 4.09 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 4 A 8.19 4.00 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 5 S 8.20 4.51 0.00 4.14 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 6 G 8.39 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 7 E 7.72 2.65 0.00 1.49 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 2.17 1.99 0.00 8 Q 7.50 4.10 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 9 V 7.54 3.63 2.34 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 1.10 0.00 0.00 1.01 0.00 0.00 10 F 8.67 4.11 0.00 3.18 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 11 K 7.51 3.90 0.00 1.97 1.86 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.48 7.81 12 Q 7.59 4.10 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.00 0.00 0.00 0.00 0.00 0.00 2.62 2.39 0.00 13 C 7.38 3.83 0.00 1.54 2.36 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 14 L 7.36 4.53 0.00 1.70 1.79 1.15 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.65 3.68 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 0.90 0.00 0.00 0.89 0.00 0.00 16 C 7.87 4.66 0.00 2.61 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 17 H 8.51 5.21 0.00 2.92 3.09 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.47 5.18 0.00 3.86 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 19 I 8.20 4.34 1.56 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.18 0.16 0.00 0.00 20 G 8.69 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 21 P 0.00 4.21 0.00 2.20 2.00 0.00 3.75 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 22 G 8.89 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 0.00 0.00 0.00 23 A 7.39 4.08 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 24 K 8.12 4.73 0.00 1.82 1.75 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.36 7.81 25 N 8.57 4.65 0.00 2.80 2.95 0.00 0.00 6.72 7.61 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 26 K 8.06 4.64 0.00 1.88 1.17 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.47 7.81 27 V 8.84 3.73 2.04 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 0.78 0.00 0.00 0.93 0.00 0.00 28 G 7.90 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 0.00 0.00 0.00 29 P 0.00 4.63 0.00 1.80 1.02 0.00 3.44 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.23 0.00 30 V 8.37 3.72 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 0.70 0.00 0.00 0.88 0.00 0.00 31 L 8.02 4.48 0.00 1.61 1.46 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 32 N 7.98 4.28 0.00 2.64 2.90 0.00 0.00 7.06 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 33 G 7.94 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 34 L 7.61 3.81 0.00 1.46 1.02 0.21 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.42 4.66 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.90 4.14 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 0.00 37 R 7.84 4.42 0.00 1.99 2.21 0.00 2.82 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 38 H 8.79 4.83 0.00 3.04 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.45 4.20 0.00 3.77 3.31 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 40 G 8.42 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.73 4.56 4.28 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 1.25 0.00 0.00 42 I 8.01 3.93 2.08 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 1.46 1.55 1.00 0.00 0.00 43 E 8.70 4.17 0.00 2.12 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 2.32 2.28 0.00 44 G 9.15 3.97 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 0.00 0.00 0.00 45 F 7.47 4.39 0.00 2.87 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 46 A 6.65 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.06 4.56 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.59 4.60 0.00 4.13 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.59 4.32 0.00 2.74 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 50 A 8.13 4.03 1.44 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 51 N 8.29 4.48 0.00 3.02 3.05 0.00 0.00 6.87 6.34 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 52 K 8.15 3.78 0.00 1.93 1.91 0.00 1.87 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 53 N 8.42 4.85 0.00 2.78 2.77 0.00 0.00 6.77 7.61 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 54 S 7.67 4.05 0.00 3.84 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 55 G 7.41 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 56 I 6.96 3.87 1.22 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.39 -0.43 0.00 0.00 57 T 7.81 4.39 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 1.08 0.00 0.00 58 W 8.96 4.80 0.00 3.49 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 59 T 8.59 5.04 4.33 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 1.27 0.00 0.00 60 E 8.89 3.97 0.00 1.97 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 1.62 1.90 0.00 61 E 8.19 3.97 0.00 2.09 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 2.45 2.41 0.00 62 V 8.07 3.74 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 0.89 0.00 0.00 0.95 0.00 0.00 63 F 9.13 4.62 0.00 3.67 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 64 R 8.25 3.96 0.00 2.15 2.27 0.00 3.39 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 65 E 8.18 4.13 0.00 2.14 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 2.38 2.36 0.00 66 Y 8.29 4.14 0.00 3.30 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 0.00 67 I 7.80 3.45 1.20 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 1.33 1.09 0.79 0.00 0.00 68 R 7.17 4.07 0.00 2.26 1.91 0.00 3.18 0.00 0.00 3.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 69 D 7.85 4.57 0.00 2.67 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 3.76 0.00 2.09 1.61 0.00 3.49 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.76 0.00 71 K 8.02 4.06 0.00 2.00 2.08 0.00 1.48 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 72 A 7.88 4.16 1.46 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 0.00 0.00 73 K 8.04 4.39 0.00 1.88 2.10 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.41 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.80 7.81 74 I 8.08 4.67 2.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 1.08 0.00 0.00 75 P 0.00 4.60 0.00 2.20 2.10 0.00 3.43 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 76 G 8.94 3.97 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 0.00 0.00 0.00 77 T 7.43 4.12 4.54 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 1.37 0.00 0.00 78 K 8.62 4.25 0.00 1.92 1.93 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.50 7.81 79 M 7.51 4.32 0.00 2.14 2.15 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 2.67 2.64 0.00 80 I 7.65 4.14 1.92 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 1.33 0.70 0.93 0.00 0.00 81 F 8.20 4.87 0.00 2.85 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 82 A 7.87 3.70 0.97 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 0.00 0.00 83 G 5.58 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 9.02 4.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.13 0.00 0.00 85 K 8.52 3.98 0.00 1.73 1.83 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.44 7.81 86 D 7.99 4.40 0.00 2.72 2.58 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 87 E 8.91 3.95 0.00 2.09 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 2.41 2.41 0.00 88 Q 8.16 3.99 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 89 K 8.51 4.00 0.00 2.06 1.92 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 90 V 7.82 3.78 2.31 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 1.26 0.00 0.00 1.02 0.00 0.00 91 S 7.99 4.29 0.00 4.05 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 92 D 8.32 4.44 0.00 2.92 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 93 L 8.68 4.18 0.00 2.07 2.18 1.30 1.34 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 94 I 8.43 3.76 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 0.61 0.00 0.00 95 A 7.79 3.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 8.26 4.22 0.00 3.26 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 97 I 7.97 3.52 1.91 0.00 0.00 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 1.43 1.15 0.66 0.00 0.00 98 K 8.15 4.22 0.00 1.83 1.82 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.17 7.81 99 Q 7.71 3.85 0.00 0.98 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 100 F 7.35 4.96 0.00 3.03 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 0.00 101 N 8.85 4.97 0.00 2.98 2.73 0.00 0.00 6.72 7.57 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 0.00 102 A 8.58 4.05 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 0.00 103 D 8.11 4.60 0.00 2.80 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 0.00 104 G 8.91 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.20 4.36 0.00 4.03 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 0.00 106 K 8.29 4.31 0.00 1.58 1.60 0.00 1.31 0.00 0.00 1.55 0.00 0.00 2.26 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.09 1.00 7.81 107 K 8.62 3.97 0.00 1.63 1.67 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.48 7.81