NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1723 N 4.7833 8.4093 119.1897 53.2062 39.7755 174.4294 1724 R 3.5653 8.5963 123.5247 57.6466 29.4921 175.9180 1725 F 5.0212 8.4497 118.1231 56.6001 41.5090 177.1942 1726 T 4.6032 8.4617 108.8335 61.8461 70.3772 173.9589 1727 K 4.8629 8.5698 121.3183 55.3315 37.1310 175.1500 1728 T 4.9253 8.2341 118.1781 61.2223 71.6736 174.1803 1729 S 4.0534 8.2798 120.4923 58.8120 62.9754 174.5810 1730 Q 4.0498 8.9447 123.3661 58.4573 29.4570 175.6827 1731 G 4.3718 7.6524 106.2472 44.1555 0.0000 172.8655 1732 R 4.5142 8.4644 118.7987 54.4709 29.8729 175.4676 1733 S 4.5609 8.3245 114.1224 57.1308 64.4732 174.3252 1734 W 4.2818 8.3741 133.1994 56.2643 29.3408 175.1339 1735 N 4.7093 7.9004 124.3160 53.1336 38.5922 176.5574 1736 T 4.0094 8.5775 111.9724 62.5524 69.4364 175.2771 1737 G 3.9141 7.7244 108.2829 46.5923 0.0000 172.9839 1738 N 4.0563 8.6046 114.4166 54.2346 37.7879 174.8412 1739 G 3.2581 7.3899 104.5646 44.3297 0.0000 174.0387 1740 S 4.2552 7.6658 116.1397 57.4231 63.0628 172.1109 1741 P 4.6320 0.0000 0.0000 63.2783 32.2156 174.9622 1742 D 5.1862 9.0874 124.5379 53.5217 42.4692 175.4276 1743 A 5.0992 8.3489 122.6001 50.7225 22.5915 175.1056 1744 I 4.7304 8.8250 119.2189 59.6337 42.2984 173.5300 1745 C 5.4664 8.9660 125.6082 58.1766 30.7706 172.9127 1746 F 5.5603 9.2711 116.9325 55.8447 41.5227 172.9504 1747 A 4.9683 8.8291 120.4543 51.1190 23.2135 175.3309 1748 V 4.6392 8.2596 110.8942 58.6377 35.8008 176.4991 1749 D 4.3764 8.7407 124.0357 56.5172 39.7426 177.8183 1750 K 3.8589 7.9293 121.2818 53.4250 32.1044 176.7847 1751 P 4.5192 0.0000 0.0000 62.6790 32.5802 175.7631 1752 G 3.8247 8.5263 104.2071 46.4872 0.0000 172.6724 1753 I 4.5138 7.4032 120.3179 59.9127 39.0535 174.9084 1754 V 4.5858 8.1424 126.3869 61.0499 34.1560 174.5821 1755 V 4.5477 8.5428 121.6334 60.7186 32.8722 177.0859 1756 V 4.0880 8.9472 117.1854 61.0062 34.2403 176.0907 1757 G 3.7235 6.5700 106.0255 45.8724 0.0000 171.0927 1758 F 4.8623 7.9827 117.4224 55.6525 43.5978 173.8427 1759 A 4.8793 8.8047 123.3912 50.8569 20.7883 176.8172 1760 V 4.3225 8.4403 114.6088 59.3749 36.0478 174.6125 1761 Y 4.6619 9.0297 121.1370 57.9575 38.5807 176.0175 1762 G 4.8039 8.8644 111.8031 45.4738 0.0000 172.8012 1763 G 4.3304 9.4717 109.1264 46.4089 0.0000 172.9426 1764 G 3.7995 9.1219 107.0738 46.4939 0.0000 175.5397 1765 G 3.7695 8.4757 108.2765 45.1347 0.0000 173.6706 1766 I 4.0500 8.1196 122.6892 61.4311 38.2674 175.3875 1767 H 5.5379 8.7532 126.1990 53.7018 31.5971 173.6156 1768 E 5.0226 8.9197 121.9860 56.3217 31.3415 171.5532 1769 Y 5.6910 8.7341 120.9477 54.9692 42.3741 173.3605 1770 E 5.2129 9.7241 121.5527 54.4559 32.8925 174.1270 1771 L 5.3028 9.2727 128.6287 53.3751 45.6808 174.6332 1772 E 5.1753 8.9987 125.5112 54.7385 33.5667 173.7081 1773 V 5.0284 9.1632 126.6063 61.2958 34.3539 174.3090 1774 L 5.6272 9.3867 126.2776 53.0302 46.4587 175.6348 1775 V 4.5938 8.4713 118.8413 59.4746 35.0913 174.3047 1776 D 3.8966 8.5771 124.8469 55.1138 41.3173 176.4060 1777 D 4.7903 9.1197 128.7223 53.5453 40.6373 173.2010 1778 S 3.5460 7.9686 113.9462 60.6247 62.8022 173.8430 *1789 R 4.1643 7.8464 120.3684 56.8981 31.5660 177.9452 1790 W 5.3062 8.0803 118.4858 54.8965 31.4869 175.4386 1791 T 4.7287 8.8049 113.8336 59.5855 71.2518 173.1418 1792 S 4.6442 8.9457 121.0415 58.7758 62.3523 173.3382 1793 L 4.5973 8.8353 127.3854 56.3828 43.2888 176.7935 1794 E 4.8128 7.7642 116.0763 55.2109 33.0298 174.2133 1795 L 5.3027 8.6532 127.6675 53.6757 45.1997 175.4588 1796 V 4.7511 9.2086 118.8135 59.6247 35.7883 174.5825 1797 K 4.8302 9.2664 120.4942 54.2681 36.5451 176.5703 1798 G 3.6665 6.0677 107.3071 46.0496 0.0000 171.2961 1799 T 5.5981 8.0455 108.4804 60.3244 72.0025 172.6214 1800 Y 5.1350 8.7587 119.7345 56.4503 42.1285 173.5058 1801 T 4.8368 8.5540 113.5919 60.9370 70.5338 173.1941 1802 T 4.6864 8.6269 116.9741 61.6901 69.3423 175.7654 1803 D 4.4035 8.0362 124.0884 57.4385 41.0053 176.9721 1804 D 4.8495 8.0230 116.5503 53.9299 41.0496 175.7049 1805 S 4.8442 7.3769 113.0971 55.7567 64.8604 172.6638 1806 P 4.4010 0.0000 0.0000 64.5803 31.4983 177.0469 1807 S 4.3845 7.7782 113.0873 58.2527 63.0001 173.2623 1808 D 5.0055 8.6446 124.4100 54.3559 41.8156 175.6704 1809 I 5.0358 7.8652 112.0233 58.8286 40.6765 174.7994 1810 A 4.7045 8.6518 125.1554 50.0922 21.8498 175.2412 1811 E 4.5108 8.7275 121.9906 55.9907 30.8170 176.1947 1812 I 4.5358 9.0975 124.9286 59.6182 40.1114 174.9751 1813 R 4.9981 8.6342 125.4124 54.4003 32.4356 176.0815 1814 L 4.3976 8.8394 122.1210 54.2720 42.1604 176.9460 1815 D 4.3983 8.5411 125.1756 57.7699 41.3146 177.2877 1816 K 4.3335 9.0865 122.3542 53.8855 32.7528 179.2751 1817 V 4.0167 8.1998 122.9368 62.0790 32.9094 175.8044 1818 V 4.3326 8.5285 125.9851 60.4423 33.0641 173.0187 1819 P 4.7313 0.0000 0.0000 62.3259 32.3229 175.9698 1820 L 4.4345 8.6117 125.8780 53.0718 43.4115 177.5651 1821 K 4.1315 8.8293 126.7008 54.2220 32.6874 173.1962 1822 E 4.0487 8.8153 123.7736 56.4800 30.3787 176.2550 1823 N 4.2679 8.5633 119.3621 54.3077 36.7427 174.4520 1824 V 4.4207 7.1631 120.0356 61.3457 34.5522 175.8865 1825 K 4.3902 8.4301 130.7399 55.4299 32.8922 173.9075 1826 Y 5.1015 9.2193 122.6939 55.1470 41.5514 174.5819 1827 A 5.1981 8.9196 122.6450 50.0247 22.7376 175.4691 1828 V 4.7651 8.8396 119.8051 59.8198 34.7430 174.6602 1829 R 4.8724 8.6655 123.4033 54.4579 33.8064 173.2372 1830 L 5.0674 9.5357 128.6992 53.4284 45.1299 174.9892 1831 R 4.8046 9.1008 126.4058 54.6351 32.2387 174.9177 1832 N 5.6576 8.4609 122.1112 51.9699 42.9827 172.3489 1833 Y 4.7871 9.3158 122.1131 57.1568 41.7221 174.3626 1834 G 3.9916 8.7492 107.4807 44.4467 0.0000 173.4707 1835 S 4.5194 8.3459 116.4875 57.3858 63.9549 173.9326 1836 R 4.3318 8.4519 120.7339 57.4687 30.4252 176.6968 1837 T 4.7955 8.7764 113.1938 59.5988 72.2497 173.3174 1838 A 4.7957 8.5385 124.3081 51.9245 19.5587 175.9850 1839 N 3.8983 8.2837 115.7294 51.2323 41.4135 173.6851 1840 G 3.4144 7.6846 106.4549 44.7921 0.0000 172.9277 1841 D 5.3431 7.4937 118.5989 53.1475 42.4978 174.9444 1842 G 4.2691 8.4036 101.0666 47.3558 0.0000 174.0974 1843 G 4.7154 7.8274 108.2415 45.6486 0.0000 173.6049 *1845 T 4.8570 8.6268 114.7401 63.1673 71.0741 174.2896 1846 T 4.9835 7.9813 108.8168 59.8702 71.8896 174.3298 1847 V 4.3011 9.0870 123.4376 61.2078 34.2596 173.7380 1848 Q 4.5217 8.6703 129.8235 55.6346 29.5267 175.5864 1849 C 4.5613 9.4188 125.4884 58.6688 29.2250 173.3762 1850 P 4.2262 0.0000 0.0000 67.0891 31.0174 178.7610 1851 D 4.2787 7.4966 116.9576 55.2643 42.2783 175.7793 1852 G 4.1932 8.1097 106.4838 45.6145 0.0000 174.5825 1853 V 3.9312 7.7256 113.4625 61.2703 32.5377 175.4118 1854 T 5.1327 8.5101 115.8973 60.0434 71.3718 173.1606 1855 F 4.7406 9.0747 124.1136 56.1468 41.4624 174.6898 1856 T 4.9413 8.5801 120.4714 62.0401 70.4204 173.6218 1857 F 5.7384 9.6650 126.2596 55.8596 41.6192 175.3412 1858 S 5.0417 9.6455 116.5303 56.7300 66.5324 173.6499 1859 T 4.5062 9.8887 120.8417 64.3080 68.9803 173.4233 1860 C 4.8755 8.4328 117.9507 56.7414 32.5446 175.1465 1861 S 4.2130 8.7049 115.1236 60.7735 62.9102 175.5043 1862 L 4.0005 7.9752 120.5323 57.6666 41.5089 177.8658 1863 S 4.6151 8.1415 115.2020 56.9795 60.4317 174.4018 1864 S 4.1303 8.0303 119.6716 60.7219 63.1548 175.0087 1865 N 4.4660 8.4137 117.1418 53.3606 38.8922 175.3563 1866 G 4.1912 7.8868 104.4995 46.1882 0.0000 174.5920 1867 T 4.2976 7.9943 116.6291 64.0820 68.6897 173.1554 1868 N 5.0613 8.8817 121.0504 51.5881 40.7547 174.5430 1869 Q 4.2373 8.7623 116.1297 59.5515 29.1861 179.5858 1870 T 4.2893 9.0701 114.4525 65.0742 69.5605 174.9169 1871 R 4.9133 8.2658 116.2761 55.1676 33.7022 173.1454 1872 G 2.3703 6.5751 105.6946 44.2256 0.0000 174.2261 1873 Q 4.6007 8.1409 127.9354 54.2647 31.9257 174.6894 1874 I 3.3885 8.4080 116.8631 60.5233 33.9111 172.9452 1875 P 4.2924 0.0000 0.0000 65.8510 32.6868 177.7709 1876 Q 4.6141 7.6341 119.6196 54.7248 32.9037 173.0981 1877 I 4.3341 7.9993 125.9435 59.6388 39.1843 174.8189 1878 L 4.6944 8.9735 127.8732 53.5444 43.3939 175.3264 1879 Y 5.3209 8.1150 120.4106 56.1405 41.4197 172.9487 1880 Y 4.7182 8.4632 117.0521 55.2175 41.8378 174.7050 1881 R 4.7157 8.7850 119.9201 55.6704 31.8628 176.1620 1882 S 4.0340 8.6263 116.3655 58.9085 63.9223 171.9521 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 1723 N 8.41 4.78 0.00 2.67 2.80 0.00 0.00 7.03 6.77 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 1724 R 8.60 3.57 0.00 1.00 1.06 0.00 2.21 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 1725 F 8.45 5.02 0.00 3.07 3.11 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 1726 T 8.46 4.60 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 1.32 0.00 0.00 1727 K 8.57 4.86 0.00 1.63 1.64 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.42 7.81 1728 T 8.23 4.93 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 1.19 0.00 0.00 1729 S 8.28 4.05 0.00 3.79 3.74 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 1730 Q 8.94 4.05 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 1731 G 7.65 4.37 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 0.00 1732 R 8.46 4.51 0.00 1.80 1.97 0.00 3.45 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 1733 S 8.32 4.56 0.00 3.93 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 1734 W 8.37 4.28 0.00 3.56 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 1735 N 7.90 4.71 0.00 2.56 2.63 0.00 0.00 6.85 7.05 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 1736 T 8.58 4.01 4.35 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 1.33 0.00 0.00 1737 G 7.72 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 1738 N 8.60 4.06 0.00 2.80 2.80 0.00 0.00 7.33 7.86 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 1739 G 7.39 3.26 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 0.00 1740 S 7.67 4.26 0.00 3.98 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 1741 P 0.00 4.63 0.00 2.29 2.17 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 1742 D 9.09 5.19 0.00 2.70 2.68 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 1743 A 8.35 5.10 1.09 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 0.00 0.00 1744 I 8.83 4.73 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.80 1.00 0.00 0.00 1745 C 8.97 5.47 0.00 3.30 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 1746 F 9.27 5.56 0.00 2.95 3.22 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 1747 A 8.83 4.97 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 1748 V 8.26 4.64 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 -0.32 0.00 0.00 0.71 0.00 0.00 1749 D 8.74 4.38 0.00 2.60 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 1750 K 7.93 3.86 0.00 1.79 1.67 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.02 7.81 1751 P 0.00 4.52 0.00 2.15 2.06 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 1752 G 8.53 3.82 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 0.00 0.00 0.00 1753 I 7.40 4.51 1.68 0.00 0.00 0.51 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 0.42 0.74 0.00 0.00 1754 V 8.14 4.59 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 0.00 0.00 0.88 0.00 0.00 0.70 0.00 0.00 1755 V 8.54 4.55 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 0.65 0.00 0.00 0.90 0.00 0.00 1756 V 8.95 4.09 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 0.93 0.00 0.00 0.94 0.00 0.00 1757 G 6.57 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 1758 F 7.98 4.86 0.00 2.83 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 1759 A 8.80 4.88 1.07 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 0.00 0.00 1760 V 8.44 4.32 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 0.46 0.00 0.00 0.02 0.00 0.00 1761 Y 9.03 4.66 0.00 2.92 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 1762 G 8.86 4.80 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 0.00 0.00 0.00 1763 G 9.47 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 0.00 0.00 0.00 0.00 1764 G 9.12 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 0.00 0.00 0.00 1765 G 8.48 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 1766 I 8.12 4.05 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.87 0.00 0.00 1767 H 8.75 5.54 0.00 2.19 3.33 0.00 5.62 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1768 E 8.92 5.02 0.00 1.66 1.82 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 2.29 1.87 0.00 1769 Y 8.73 5.69 0.00 3.28 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1770 E 9.72 5.21 0.00 2.10 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 2.28 2.28 0.00 1771 L 9.27 5.30 0.00 1.93 1.67 0.76 0.98 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 1772 E 9.00 5.18 0.00 2.09 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 2.19 2.29 0.00 1773 V 9.16 5.03 2.27 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 1.37 0.00 0.00 1.22 0.00 0.00 1774 L 9.39 5.63 0.00 1.37 1.67 0.73 0.71 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 1775 V 8.47 4.59 1.85 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 0.74 0.00 0.00 0.07 0.00 0.00 1776 D 8.58 3.90 0.00 2.21 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 0.00 0.00 0.00 0.00 1777 D 9.12 4.79 0.00 2.56 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1778 S 7.97 3.55 0.00 3.95 3.85 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 *1789 R 7.85 4.16 0.00 1.55 2.01 0.00 3.22 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.00 1790 W 8.08 5.31 0.00 3.15 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 1791 T 8.80 4.73 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 1.24 0.00 0.00 1792 S 8.95 4.64 0.00 4.01 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 1793 L 8.84 4.60 0.00 1.70 1.82 1.21 1.13 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 1794 E 7.76 4.81 0.00 2.13 1.85 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 2.34 2.41 0.00 1795 L 8.65 5.30 0.00 1.66 1.51 1.08 0.94 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 1796 V 9.21 4.75 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 0.81 0.00 0.00 1.20 0.00 0.00 1797 K 9.27 4.83 0.00 1.48 1.50 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.39 7.81 1798 G 6.07 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 1799 T 8.05 5.60 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 1.20 0.00 0.00 1800 Y 8.76 5.14 0.00 3.13 3.13 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 0.00 1801 T 8.55 4.84 4.21 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 1.25 0.00 0.00 1802 T 8.63 4.69 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 1.40 0.00 0.00 1803 D 8.04 4.40 0.00 2.70 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 1804 D 8.02 4.85 0.00 2.68 2.68 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 1805 S 7.38 4.84 0.00 3.76 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 1806 P 0.00 4.40 0.00 2.09 2.10 0.00 3.74 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 2.03 2.07 0.00 1807 S 7.78 4.38 0.00 3.85 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 1808 D 8.64 5.01 0.00 2.79 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 1809 I 7.87 5.04 1.67 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.57 0.53 0.00 0.00 1810 A 8.65 4.70 0.99 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 0.00 0.00 1811 E 8.73 4.51 0.00 1.80 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 0.00 2.20 2.24 0.00 1812 I 9.10 4.54 1.80 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.35 1.01 0.00 0.00 1813 R 8.63 5.00 0.00 1.71 1.85 0.00 3.19 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 1814 L 8.84 4.40 0.00 1.65 1.82 1.00 1.22 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 1815 D 8.54 4.40 0.00 2.71 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 1816 K 9.09 4.33 0.00 1.74 1.59 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.24 7.81 1817 V 8.20 4.02 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 0.98 0.00 0.00 1.03 0.00 0.00 1818 V 8.53 4.33 2.13 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 1.00 0.00 0.00 1.03 0.00 0.00 1819 P 0.00 4.73 0.00 1.97 1.93 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 1820 L 8.61 4.43 0.00 1.44 1.37 0.52 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 1821 K 8.83 4.13 0.00 1.79 1.60 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.25 7.81 1822 E 8.82 4.05 0.00 1.99 1.82 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 2.34 2.36 0.00 1823 N 8.56 4.27 0.00 2.75 2.94 0.00 0.00 6.66 8.32 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 1824 V 7.16 4.42 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 0.44 0.00 0.00 0.98 0.00 0.00 1825 K 8.43 4.39 0.00 1.49 1.68 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.44 1.04 7.81 1826 Y 9.22 5.10 0.00 1.60 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 0.00 0.00 0.00 0.00 1827 A 8.92 5.20 0.15 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 0.00 0.00 1828 V 8.84 4.77 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 0.60 0.00 0.00 -0.07 0.00 0.00 1829 R 8.67 4.87 0.00 1.72 1.65 0.00 2.98 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 1.47 1.49 0.00 1830 L 9.54 5.07 0.00 1.62 1.58 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 1831 R 9.10 4.80 0.00 1.93 1.95 0.00 3.35 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 1832 N 8.46 5.66 0.00 2.88 2.65 0.00 0.00 6.94 7.56 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 1833 Y 9.32 4.79 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 1834 G 8.75 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 0.00 0.00 0.00 1835 S 8.35 4.52 0.00 4.13 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 1836 R 8.45 4.33 0.00 1.71 2.00 0.00 3.16 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 1837 T 8.78 4.80 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 1.31 0.00 0.00 1838 A 8.54 4.80 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 1839 N 8.28 3.90 0.00 1.70 2.15 0.00 0.00 7.18 6.61 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 1840 G 7.68 3.41 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 0.00 1841 D 7.49 5.34 0.00 2.80 2.59 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 1842 G 8.40 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 0.00 0.00 0.00 0.00 1843 G 7.83 4.72 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 *1845 T 8.63 4.86 4.30 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 1.28 0.00 0.00 1846 T 7.98 4.98 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 1.24 0.00 0.00 1847 V 9.09 4.30 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 0.98 0.00 0.00 1.09 0.00 0.00 1848 Q 8.67 4.52 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 1849 C 9.42 4.56 0.00 3.26 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 1850 P 0.00 4.23 0.00 2.19 2.20 0.00 3.86 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 1851 D 7.50 4.28 0.00 2.73 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 1852 G 8.11 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 0.00 0.00 0.00 0.00 1853 V 7.73 3.93 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 0.86 0.00 0.00 1.09 0.00 0.00 1854 T 8.51 5.13 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 1.22 0.00 0.00 1855 F 9.07 4.74 0.00 2.66 2.27 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 1856 T 8.58 4.94 4.18 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 1.27 0.00 0.00 1857 F 9.66 5.74 0.00 2.82 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 0.00 1858 S 9.65 5.04 0.00 3.86 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 1859 T 9.89 4.51 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 1.28 0.00 0.00 1860 C 8.43 4.88 0.00 3.22 3.13 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 0.00 1861 S 8.70 4.21 0.00 4.06 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 1862 L 7.98 4.00 0.00 1.46 1.63 -0.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 1863 S 8.14 4.62 0.00 3.99 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 1864 S 8.03 4.13 0.00 3.90 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 1865 N 8.41 4.47 0.00 2.75 3.16 0.00 0.00 7.43 8.01 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 1866 G 7.89 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 0.00 0.00 0.00 0.00 1867 T 7.99 4.30 4.35 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 1.30 0.00 0.00 1868 N 8.88 5.06 0.00 2.97 2.99 0.00 0.00 6.83 6.91 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 1869 Q 8.76 4.24 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.73 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 1870 T 9.07 4.29 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 1.26 0.00 0.00 1871 R 8.27 4.91 0.00 2.02 1.93 0.00 2.83 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 1872 G 6.58 2.37 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 0.00 1873 Q 8.14 4.60 0.00 1.61 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 1874 I 8.41 3.39 1.79 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.94 0.80 0.00 0.00 1875 P 0.00 4.29 0.00 1.89 2.22 0.00 3.65 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.74 0.00 1876 Q 7.63 4.61 0.00 1.87 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 1877 I 8.00 4.33 1.31 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.43 0.42 0.00 0.00 1878 L 8.97 4.69 0.00 1.39 1.46 0.86 0.49 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 1879 Y 8.12 5.32 0.00 3.05 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 1880 Y 8.46 4.72 0.00 3.03 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 1881 R 8.78 4.72 0.00 1.95 1.94 0.00 3.47 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 1882 S 8.63 4.03 0.00 4.01 3.82 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 * Residues marked with a * may have inaccurate shift predictions.