OH0067 hklh'k'l' -Fo -Fc -sigma(Fo) listing _______________________________________________________________________________ * author to whom correspondence should be adressed. h k l h' k' l' Fo Fc sigma(Fo) -1 1 1 0 0 0 1131 1113 133 1 1 1 0 0 0 1072 1277 14 0 2 0 0 0 0 453 434 14 -2 1 0 0 0 0 536 533 13 -1 2 0 0 0 0 501 528 14 -2 0 -1 0 0 0 608 729 12 0 2 1 0 0 0 663 724 12 -2 1 -1 0 0 0 247 169 28 -1 2 1 0 0 0 204 160 35 1 2 1 0 0 0 282 266 64 -2 2 0 0 0 0 1122 1146 16 0 2 2 0 0 0 846 1013 13 -2 2 -1 0 0 0 1399 1098 17 -2 2 1 0 0 0 1169 1099 16 0 3 0 0 0 0 439 457 38 1 2 2 0 0 0 1653 1771 351 -3 1 0 0 0 0 1719 1578 16 -1 3 0 0 0 0 1606 1578 17 -3 0 -1 0 0 0 1805 1606 17 0 3 1 0 0 0 1522 1549 18 -1 3 -1 0 0 0 3001 2636 119 -3 1 -1 0 0 0 2605 2465 16 -1 3 1 0 0 0 2604 2683 15 1 3 1 0 0 0 2467 2637 168 -2 2 2 0 0 0 7792 8010 280 2 2 2 0 0 0 6363 6881 166 -3 2 0 0 0 0 1267 1165 17 -2 3 0 0 0 0 1209 1183 17 -3 0 -2 0 0 0 1120 1163 15 0 3 2 0 0 0 1160 1180 16 -3 2 1 0 0 0 1145 1487 18 -2 3 -1 0 0 0 1491 1422 18 -3 2 -1 0 0 0 978 936 12 -2 3 1 0 0 0 783 996 11 -3 1 -2 0 0 0 1886 2025 18 -1 3 2 0 0 0 2069 2023 18 -3 -1 -2 0 0 0 902 1066 12 1 3 2 0 0 0 894 1066 13 0 4 0 0 0 0 2938 2791 65 -3 2 -2 0 0 0 1357 1140 20 -4 1 0 0 0 0 1004 925 15 -3 2 2 0 0 0 1931 1660 276 -1 4 0 0 0 0 911 937 13 -2 3 2 0 0 0 969 1050 14 -4 0 -1 0 0 0 937 1106 14 0 4 1 0 0 0 1091 1115 15 2 3 2 0 0 0 1445 1737 146 -1 4 -1 0 0 0 3417 2994 334 -3 3 0 0 0 0 1574 1338 19 -4 1 -1 0 0 0 2306 1907 18 -1 4 1 0 0 0 1685 1741 19 0 3 3 0 0 0 2138 2212 455 -3 3 -1 0 0 0 4203 3822 17 -3 3 1 0 0 0 4058 3813 17 -1 3 3 0 0 0 2740 3104 286 1 3 3 0 0 0 3121 3514 139 -4 2 0 0 0 0 2325 2100 19 -2 4 0 0 0 0 2277 2104 19 -4 0 -2 0 0 0 1313 1546 19 0 4 2 0 0 0 1402 1565 18 -4 2 1 0 0 0 2559 2186 19 -2 4 -1 0 0 0 2500 2190 19 -4 2 -1 0 0 0 2302 2250 19 -2 4 1 0 0 0 2436 2246 19 -4 1 -2 0 0 0 948 994 14 -1 4 2 0 0 0 811 1056 13 -4 -1 -2 0 0 0 886 986 14 1 4 2 0 0 0 1110 1060 16 -3 3 -2 0 0 0 1483 1218 21 -3 3 2 0 0 0 1123 1214 18 -2 3 3 0 0 0 2080 1960 479 -4 2 2 0 0 0 2569 2486 113 -4 2 -2 0 0 0 3248 3098 19 -2 4 2 0 0 0 2691 3177 19 2 4 2 0 0 0 2646 2789 23 -4 3 0 0 0 0 2113 2088 21 -3 4 0 0 0 0 2054 2056 20 -4 0 -3 0 0 0 2370 2746 21 0 4 3 0 0 0 2569 2755 21 -4 3 -1 0 0 0 1430 1422 19 -4 3 1 0 0 0 885 1028 13 -3 4 -1 0 0 0 927 938 14 -3 4 1 0 0 0 1166 1499 17 -5 1 0 0 0 0 2356 2330 20 -1 5 0 0 0 0 2312 2330 20 -5 0 -1 0 0 0 2811 2539 20 -4 1 -3 0 0 0 1356 1561 18 h k l h' k' l' Fo Fc sigma(Fo) -1 4 3 0 0 0 1274 1625 19 0 5 1 0 0 0 2427 2443 20 -4 -1 -3 0 0 0 819 958 16 1 4 3 0 0 0 809 880 16 -3 3 3 0 0 0 4553 4358 528 -1 5 -1 0 0 0 4004 3758 132 -5 1 -1 0 0 0 4112 3824 20 -1 5 1 0 0 0 3608 3649 19 1 5 1 0 0 0 4155 4316 304 3 3 3 0 0 0 4537 4759 168 -3 4 -2 0 0 0 1154 1154 16 -4 3 2 0 0 0 940 1195 13 -4 3 -2 0 0 0 1013 956 15 -5 2 0 0 0 0 679 635 17 -2 5 0 0 0 0 661 626 16 -3 4 2 0 0 0 842 977 14 -4 2 -3 0 0 0 1600 1645 23 -2 4 3 0 0 0 1723 1641 22 -5 0 -2 0 0 0 476 554 23 0 5 2 0 0 0 617 558 18 -4 -2 -3 0 0 0 1065 1187 16 2 4 3 0 0 0 1039 1187 16 -5 2 1 0 0 0 1274 1353 20 -2 5 -1 0 0 0 1334 1297 19 -5 2 -1 0 0 0 1024 971 15 -2 5 1 0 0 0 883 1008 14 -5 1 -2 0 0 0 1797 1923 23 -1 5 2 0 0 0 1961 1921 22 -5 -1 -2 0 0 0 878 1140 16 1 5 2 0 0 0 996 1142 15 -4 4 0 0 0 0 8867 8302 20 0 4 4 0 0 0 6206 6821 255 -4 4 -1 0 0 0 1018 435 14 -2 5 -2 0 0 0 703 609 81 -4 4 1 0 0 0 689 430 17 -5 2 -2 0 0 0 451 388 24 -2 5 2 0 0 0 338 353 31 -1 4 4 0 0 0 683 693 158 1 4 4 0 0 0 663 713 104 -5 3 0 0 0 0 1205 1048 19 -3 5 0 0 0 0 1234 1048 19 -4 3 -3 0 0 0 243 244 42 -5 0 -3 0 0 0 713 634 18 0 5 3 0 0 0 689 642 18 -5 3 1 0 0 0 2254 2165 23 -3 5 -1 0 0 0 2278 2166 22 -5 3 -1 0 0 0 2235 1932 22 -3 5 1 0 0 0 1757 1924 23 -5 1 -3 0 0 0 2939 2920 22 -1 5 3 0 0 0 2789 2839 22 -5 -1 -3 0 0 0 2330 2509 25 1 5 3 0 0 0 2318 2500 24 -4 4 -2 0 0 0 2257 2031 23 -4 4 2 0 0 0 2080 2001 23 0 6 0 0 0 0 3738 3577 89 -2 4 4 0 0 0 1998 2045 70 2 4 4 0 0 0 2083 2177 30 -6 1 0 0 0 0 1179 1054 17 -1 6 0 0 0 0 965 1047 14 -6 0 -1 0 0 0 1217 1406 17 0 6 1 0 0 0 1369 1390 20 -5 3 2 0 0 0 259 182 42 -3 5 -2 0 0 0 245 190 46 -1 6 -1 0 0 0 1710 1525 199 -5 3 -2 0 0 0 245 187 44 -3 5 2 0 0 0 219 178 51 -6 1 -1 0 0 0 1177 972 16 -5 2 -3 0 0 0 412 359 28 -2 5 3 0 0 0 433 396 27 -1 6 1 0 0 0 910 886 15 -6 2 0 0 0 0 2604 2276 23 -2 6 0 0 0 0 2396 2272 23 -6 0 -2 0 0 0 2431 2434 24 0 6 2 0 0 0 2408 2402 24 -4 4 -3 0 0 0 801 741 18 -6 2 1 0 0 0 962 879 15 -5 4 0 0 0 0 448 337 26 -4 5 0 0 0 0 397 339 29 -2 6 -1 0 0 0 985 885 15 -4 4 3 0 0 0 702 743 19 -3 4 4 0 0 0 1182 1141 249 -6 2 -1 0 0 0 877 872 16 -2 6 1 0 0 0 878 866 16 -6 1 -2 0 0 0 777 740 18 -1 6 2 0 0 0 618 707 21 -5 0 -4 0 0 0 309 387 41 -6 -1 -2 0 0 0 722 727 20 h k l h' k' l' Fo Fc sigma(Fo) 1 6 2 0 0 0 677 727 20 0 5 4 0 0 0 399 384 33 -5 4 -1 0 0 0 721 722 19 -5 4 1 0 0 0 1045 1253 16 -4 5 -1 0 0 0 1199 1189 16 -4 5 1 0 0 0 639 789 20 -5 1 -4 0 0 0 1530 1718 21 -1 5 4 0 0 0 1627 1720 23 -5 -1 -4 0 0 0 568 739 26 1 5 4 0 0 0 546 737 27 -5 3 3 0 0 0 1513 1395 255 -5 3 -3 0 0 0 1572 1443 23 -3 5 3 0 0 0 1185 1232 18 3 5 3 0 0 0 1421 1650 81 -2 6 -2 0 0 0 3483 3207 232 -6 2 -2 0 0 0 3274 3233 23 -2 6 2 0 0 0 3043 3064 23 2 6 2 0 0 0 2393 2637 371 -4 5 -2 0 0 0 324 263 38 -5 4 -2 0 0 0 483 483 27 -6 3 0 0 0 0 778 763 19 -3 6 0 0 0 0 690 756 21 -4 5 2 0 0 0 367 498 34 -5 2 -4 0 0 0 449 423 29 -2 5 4 0 0 0 424 447 30 -6 0 -3 0 0 0 882 1032 17 0 6 3 0 0 0 922 1023 17 -6 3 1 0 0 0 1376 1240 22 -3 6 -1 0 0 0 1307 1182 21 -6 3 -1 0 0 0 1664 1643 23 -3 6 1 0 0 0 1498 1719 19 -6 1 -3 0 0 0 1514 1639 22 -1 6 3 0 0 0 1538 1715 25 -6 -1 -3 0 0 0 1028 1235 17 1 6 3 0 0 0 1114 1177 17 -4 4 4 0 0 0 3009 2848 365 4 4 4 0 0 0 3719 3905 475 -6 3 2 0 0 0 365 405 37 -3 6 -2 0 0 0 375 425 37 -6 3 -2 0 0 0 713 629 21 -3 6 2 0 0 0 629 613 23 -6 2 -3 0 0 0 360 431 38 -6 -2 -3 0 0 0 763 903 24 2 6 3 0 0 0 802 880 22 -4 5 -3 0 0 0 925 993 17 -5 5 0 0 0 0 797 704 19 -5 4 3 0 0 0 715 1044 20 -5 4 -3 0 0 0 677 718 22 -4 5 3 0 0 0 596 764 24 -7 1 0 0 0 0 1016 918 17 -5 3 -4 0 0 0 1330 1460 20 -3 5 4 0 0 0 1437 1465 23 -1 7 0 0 0 0 1121 919 16 -7 0 -1 0 0 0 400 402 36 0 7 1 0 0 0 432 426 31 0 5 5 0 0 0 1007 1097 203 -5 -3 -4 0 0 0 750 872 26 3 5 4 0 0 0 662 851 28 -5 5 -1 0 0 0 1711 1662 24 -5 5 1 0 0 0 1604 1692 24 -1 7 -1 0 0 0 1630 1643 25 -7 1 -1 0 0 0 1746 1613 24 -1 7 1 0 0 0 1526 1546 22 -1 5 5 0 0 0 1889 2141 145 1 7 1 0 0 0 2093 2165 131 1 5 5 0 0 0 1269 1359 96 -6 4 0 0 0 0 1405 1361 22 -4 6 0 0 0 0 1409 1347 21 -6 0 -4 0 0 0 960 1128 18 0 6 4 0 0 0 1065 1165 17 -6 4 1 0 0 0 1578 1404 22 -4 6 -1 0 0 0 1578 1406 25 -6 4 -1 0 0 0 1535 1443 22 -4 6 1 0 0 0 1583 1441 24 -6 1 -4 0 0 0 622 659 25 -1 6 4 0 0 0 615 691 24 -6 -1 -4 0 0 0 616 646 27 1 6 4 0 0 0 808 695 22 -5 5 -2 0 0 0 723 568 22 -6 3 3 0 0 0 411 337 34 -5 5 2 0 0 0 672 556 21 -7 2 1 0 0 0 1049 954 17 -2 7 -1 0 0 0 847 920 20 -7 2 -1 0 0 0 825 798 20 -6 3 -3 0 0 0 324 335 42 -2 7 1 0 0 0 735 811 21 h k l h' k' l' Fo Fc sigma(Fo) -7 1 -2 0 0 0 1175 1295 19 -1 7 2 0 0 0 1357 1302 19 -7 -1 -2 0 0 0 811 999 21 1 7 2 0 0 0 901 998 19 3 6 3 0 0 0 382 391 48 2 5 5 0 0 0 997 915 230 -6 4 2 0 0 0 1226 1179 17 -4 6 -2 0 0 0 1315 1180 21 -6 4 -2 0 0 0 1150 1030 17 -4 6 2 0 0 0 961 1012 18 -6 2 -4 0 0 0 1289 1283 20 -2 6 4 0 0 0 1238 1268 17 -6 -2 -4 0 0 0 1227 1262 19 2 6 4 0 0 0 1246 1263 18 -5 4 4 0 0 0 1175 998 194 -2 7 -2 0 0 0 1696 1481 179 -5 4 -4 0 0 0 801 630 21 -4 5 4 0 0 0 621 577 25 -7 2 -2 0 0 0 1167 929 18 -2 7 2 0 0 0 882 847 19 4 5 4 0 0 0 903 983 22 -7 3 0 0 0 0 2863 2699 26 -3 7 0 0 0 0 2962 2699 25 -7 0 -3 0 0 0 1562 1498 22 0 7 3 0 0 0 1483 1537 22 -5 5 -3 0 0 0 2859 2678 26 -7 3 1 0 0 0 1533 1504 24 -3 7 -1 0 0 0 1542 1558 22 -5 5 3 0 0 0 2913 2852 26 -7 3 -1 0 0 0 1967 1791 28 -3 7 1 0 0 0 1671 1706 26 -3 5 5 0 0 0 2166 2326 28 -7 1 -3 0 0 0 1541 1640 22 -1 7 3 0 0 0 1541 1663 24 -7 -1 -3 0 0 0 1912 2126 27 1 7 3 0 0 0 2090 2133 29 3 5 5 0 0 0 2188 2186 135 -4 6 -3 0 0 0 1971 1906 29 -6 5 0 0 0 0 468 463 35 -5 6 0 0 0 0 450 460 35 -6 4 3 0 0 0 1948 1912 28 -6 4 -3 0 0 0 1850 1906 25 -4 6 3 0 0 0 1979 1912 25 -6 3 -4 0 0 0 973 988 20 -3 6 4 0 0 0 798 1036 23 0 6 5 0 0 0 575 609 33 -6 -3 -4 0 0 0 954 994 26 3 6 4 0 0 0 1172 1021 22 -7 3 2 0 0 0 648 535 26 -6 5 -1 0 0 0 521 507 33 -6 5 1 0 0 0 422 485 39 -5 6 -1 0 0 0 473 498 36 -5 6 1 0 0 0 403 513 39 -3 7 -2 0 0 0 513 522 33 -7 3 -2 0 0 0 581 538 29 -3 7 2 0 0 0 454 551 37 -7 2 -3 0 0 0 969 818 21 -2 7 3 0 0 0 736 797 25 -6 1 -5 0 0 0 441 505 40 -1 6 5 0 0 0 447 510 39 -7 -2 -3 0 0 0 856 849 24 -6 -1 -5 0 0 0 381 503 49 1 6 5 0 0 0 501 516 38 2 7 3 0 0 0 694 787 28 0 8 0 0 0 0 4684 4536 281 -5 6 -2 0 0 0 722 732 25 -6 5 2 0 0 0 626 680 28 -6 5 -2 0 0 0 1189 1109 19 -7 4 0 0 0 0 1303 1223 20 -4 7 0 0 0 0 1208 1235 18 -5 6 2 0 0 0 981 1052 20 -8 1 0 0 0 0 485 464 36 -1 8 0 0 0 0 333 456 51 -6 2 -5 0 0 0 765 791 25 -8 0 -1 0 0 0 572 632 31 0 8 1 0 0 0 593 636 30 -2 6 5 0 0 0 666 785 28 0 7 4 0 0 0 1138 1208 20 -7 0 -4 0 0 0 1031 1194 21 -6 -2 -5 0 0 0 1380 1450 21 2 6 5 0 0 0 1235 1476 22 -7 4 -1 0 0 0 348 217 47 -8 1 -1 0 0 0 491 348 35 -1 8 1 0 0 0 403 320 40 1 8 1 0 0 0 511 545 107 -7 1 -4 0 0 0 310 309 56 h k l h' k' l' Fo Fc sigma(Fo) -1 7 4 0 0 0 329 309 51 1 7 4 0 0 0 289 291 61 -3 7 -3 0 0 0 2995 2769 92 -7 3 -3 0 0 0 2931 2878 27 -3 7 3 0 0 0 2828 2942 28 3 7 3 0 0 0 2263 2327 167 -6 4 4 0 0 0 1516 1477 53 -8 2 0 0 0 0 961 928 21 -6 4 -4 0 0 0 1482 1450 21 -4 6 4 0 0 0 1325 1465 20 -2 8 0 0 0 0 932 936 21 -8 0 -2 0 0 0 1276 1201 18 0 8 2 0 0 0 1178 1160 19 4 6 4 0 0 0 1236 1270 27 -7 4 2 0 0 0 740 748 26 -4 7 -2 0 0 0 786 705 25 -7 4 -2 0 0 0 1018 986 20 -8 2 1 0 0 0 1436 1293 22 -2 8 -1 0 0 0 1508 1281 23 -4 7 2 0 0 0 883 1038 21 -8 2 -1 0 0 0 1346 1281 17 -2 8 1 0 0 0 1428 1293 19 -7 2 -4 0 0 0 991 1013 21 -8 1 -2 0 0 0 1043 951 21 -1 8 2 0 0 0 869 934 23 -2 7 4 0 0 0 914 1059 22 1 8 2 0 0 0 904 912 23 -8 -1 -2 0 0 0 903 906 23 -7 -2 -4 0 0 0 616 744 34 2 7 4 0 0 0 626 701 33 -6 5 3 0 0 0 269 323 61 3 6 5 0 0 0 299 329 64 -2 8 -2 0 0 0 2005 1779 27 -6 6 0 0 0 0 4034 3812 26 -8 2 -2 0 0 0 1583 1604 24 -2 8 2 0 0 0 1635 1618 25 2 8 2 0 0 0 1206 1370 270 0 6 6 0 0 0 3183 3388 30 -6 6 -1 0 0 0 805 737 24 -6 6 1 0 0 0 750 724 25 -8 3 0 0 0 0 1039 932 21 -3 8 0 0 0 0 852 925 23 -1 6 6 0 0 0 1074 1164 224 -8 0 -3 0 0 0 1097 1239 20 0 8 3 0 0 0 1183 1228 19 1 6 6 0 0 0 1039 1184 184 -7 5 0 0 0 0 269 227 61 -7 4 3 0 0 0 580 637 30 -4 7 -3 0 0 0 687 631 27 -8 3 -1 0 0 0 332 293 51 -7 4 -3 0 0 0 752 644 25 -4 7 3 0 0 0 674 641 27 -7 3 -4 0 0 0 766 798 25 -3 7 4 0 0 0 756 804 25 -7 -3 -4 0 0 0 905 859 27 3 7 4 0 0 0 771 845 30 -7 5 1 0 0 0 1369 1340 20 -5 7 -1 0 0 0 1342 1253 17 -7 5 -1 0 0 0 1276 1180 18 -5 7 1 0 0 0 1281 1314 20 -5 5 5 0 0 0 2885 2874 214 -7 1 -5 0 0 0 1129 1229 20 -1 7 5 0 0 0 1260 1331 19 -7 -1 -5 0 0 0 1034 1211 23 1 7 5 0 0 0 1095 1132 21 5 5 5 0 0 0 2206 2288 254 -6 6 -2 0 0 0 3458 3065 27 -6 6 2 0 0 0 3302 3145 27 -2 6 6 0 0 0 2796 2915 204 2 6 6 0 0 0 3790 3859 473 -5 6 -4 0 0 0 547 621 32 -8 3 2 0 0 0 1033 1057 20 -3 8 -2 0 0 0 999 1016 21 -6 5 4 0 0 0 479 635 34 -6 5 -4 0 0 0 354 415 49 -5 6 4 0 0 0 431 426 37 -6 4 -5 0 0 0 716 819 27 -8 3 -2 0 0 0 852 824 24 -3 8 2 0 0 0 744 848 26 -4 6 5 0 0 0 740 809 26 -8 2 -3 0 0 0 1435 1471 21 -2 8 3 0 0 0 1555 1476 23 -8 -2 -3 0 0 0 836 1022 26 2 8 3 0 0 0 887 1011 24 -6 -4 -5 0 0 0 402 490 48 4 6 5 0 0 0 396 499 48 h k l h' k' l' Fo Fc sigma(Fo) -7 5 2 0 0 0 825 791 23 -5 7 -2 0 0 0 842 793 23 -7 5 -2 0 0 0 828 772 23 -5 7 2 0 0 0 809 770 23 -8 4 0 0 0 0 1536 1375 22 -4 8 0 0 0 0 1412 1370 21 -8 0 -4 0 0 0 1586 1708 25 0 8 4 0 0 0 1619 1632 24 -7 4 4 0 0 0 729 657 62 -6 6 -3 0 0 0 360 194 45 -8 4 1 0 0 0 853 781 23 -4 8 -1 0 0 0 748 790 26 -6 6 3 0 0 0 346 188 43 -8 4 -1 0 0 0 769 788 26 -4 8 1 0 0 0 696 778 27 -7 4 -4 0 0 0 490 447 35 -4 7 4 0 0 0 299 404 57 -8 1 -4 0 0 0 967 858 22 -1 8 4 0 0 0 774 826 25 -8 -1 -4 0 0 0 923 858 23 1 8 4 0 0 0 728 823 28 3 6 6 0 0 0 330 278 58 4 7 4 0 0 0 582 703 39 -3 8 -3 0 0 0 844 739 73 -8 3 -3 0 0 0 583 470 31 -9 1 0 0 0 0 793 811 26 -3 8 3 0 0 0 446 433 39 -1 9 0 0 0 0 834 811 24 0 9 1 0 0 0 312 365 54 3 8 3 0 0 0 634 735 81 -5 7 -3 0 0 0 2130 1940 31 -7 5 3 0 0 0 1941 1973 27 -7 5 -3 0 0 0 1837 1679 25 -5 7 3 0 0 0 1662 1720 26 -1 9 -1 0 0 0 3141 2783 44 -9 1 -1 0 0 0 2532 2513 31 -1 9 1 0 0 0 2675 2563 30 -7 3 -5 0 0 0 2068 2086 28 -3 7 5 0 0 0 2010 2110 28 1 9 1 0 0 0 1855 1877 246 -7 -3 -5 0 0 0 1703 1737 26 3 7 5 0 0 0 1766 1741 25 -8 4 2 0 0 0 1828 1831 27 -4 8 -2 0 0 0 1919 1792 27 -8 4 -2 0 0 0 1528 1464 22 -4 8 2 0 0 0 1362 1490 20 -8 2 -4 0 0 0 2122 2188 27 -2 8 4 0 0 0 2214 2179 31 -8 -2 -4 0 0 0 1295 1375 20 2 8 4 0 0 0 1352 1382 20 -7 6 0 0 0 0 650 646 28 -6 7 0 0 0 0 603 658 29 -9 2 0 0 0 0 422 385 44 -2 9 0 0 0 0 495 391 35 -9 0 -2 0 0 0 400 385 46 0 9 2 0 0 0 416 390 44 -7 0 -6 0 0 0 524 642 37 0 7 6 0 0 0 649 654 30 -7 6 -1 0 0 0 312 283 54 -7 6 1 0 0 0 342 389 48 -6 7 -1 0 0 0 304 388 56 -6 7 1 0 0 0 342 283 48 -9 2 1 0 0 0 562 510 35 -6 5 -5 0 0 0 278 181 59 -2 9 -1 0 0 0 508 503 35 -9 2 -1 0 0 0 490 447 38 -1 9 2 0 0 0 718 692 27 -9 1 -2 0 0 0 655 696 29 -9 -1 -2 0 0 0 467 537 39 -7 1 -6 0 0 0 502 521 38 -1 7 6 0 0 0 407 504 45 1 9 2 0 0 0 558 576 33 1 7 6 0 0 0 320 341 61 -6 6 -4 0 0 0 2189 2015 31 -6 6 4 0 0 0 1999 2040 27 -4 6 6 0 0 0 2143 2172 143 4 6 6 0 0 0 1709 1631 33 -6 7 -2 0 0 0 291 271 59 -8 4 3 0 0 0 762 750 26 -4 8 -3 0 0 0 777 749 24 -7 6 2 0 0 0 328 299 51 -2 9 -2 0 0 0 696 643 127 -7 6 -2 0 0 0 442 431 40 -8 5 0 0 0 0 639 559 29 -5 8 0 0 0 0 645 553 28 -8 4 -3 0 0 0 781 749 25 h k l h' k' l' Fo Fc sigma(Fo) -4 8 3 0 0 0 630 750 29 -9 2 -2 0 0 0 528 497 36 -2 9 2 0 0 0 426 465 43 -3 8 4 0 0 0 1055 1078 21 -8 3 -4 0 0 0 1241 1132 20 -7 2 -6 0 0 0 288 397 65 -2 7 6 0 0 0 431 423 42 -8 0 -5 0 0 0 724 724 28 0 8 5 0 0 0 757 724 27 -8 -3 -4 0 0 0 1133 1125 24 3 8 4 0 0 0 931 1070 25 2 7 6 0 0 0 383 386 55 -8 5 1 0 0 0 670 607 27 -5 7 -4 0 0 0 460 502 39 -7 5 4 0 0 0 479 510 37 -5 8 -1 0 0 0 733 639 27 -8 5 -1 0 0 0 579 467 32 -5 8 1 0 0 0 434 446 41 -7 5 -4 0 0 0 451 507 39 -5 7 4 0 0 0 549 515 32 -1 8 5 0 0 0 377 446 50 -8 1 -5 0 0 0 486 468 38 -8 -1 -5 0 0 0 623 604 32 1 8 5 0 0 0 654 635 31 -7 -4 -5 0 0 0 395 327 48 -9 3 1 0 0 0 1891 1614 26 -3 9 -1 0 0 0 1536 1477 23 -3 9 1 0 0 0 1626 1561 23 -9 3 -1 0 0 0 1562 1427 22 -9 1 -3 0 0 0 1869 1823 30 -1 9 3 0 0 0 1996 1937 29 -9 -1 -3 0 0 0 1597 1643 23 1 9 3 0 0 0 1468 1500 21 -8 5 2 0 0 0 532 470 33 -5 8 -2 0 0 0 516 503 36 -8 5 -2 0 0 0 868 703 24 -5 8 2 0 0 0 706 654 27 -8 2 -5 0 0 0 465 546 43 -2 8 5 0 0 0 438 539 42 -8 -2 -5 0 0 0 1011 978 25 2 8 5 0 0 0 1019 1004 24 -9 3 2 0 0 0 560 501 35 -7 6 -3 0 0 0 666 644 29 -6 7 -3 0 0 0 756 779 26 -7 6 3 0 0 0 639 801 29 -6 7 3 0 0 0 626 640 29 -3 9 -2 0 0 0 592 506 32 -9 3 -2 0 0 0 472 506 42 -3 9 2 0 0 0 501 501 37 -7 3 -6 0 0 0 1029 1105 22 -3 7 6 0 0 0 1075 1100 22 -2 9 3 0 0 0 335 343 52 2 9 3 0 0 0 381 342 47 -7 -3 -6 0 0 0 801 762 29 3 7 6 0 0 0 733 793 30 -8 4 4 0 0 0 4023 3769 240 -8 4 -4 0 0 0 4064 3827 29 -4 8 4 0 0 0 3678 3836 30 4 8 4 0 0 0 3832 3885 117 -9 4 0 0 0 0 508 548 41 -6 6 -5 0 0 0 333 277 53 -4 9 0 0 0 0 574 553 33 -6 6 5 0 0 0 283 260 62 -9 0 -4 0 0 0 468 546 44 0 9 4 0 0 0 581 551 33 -8 5 3 0 0 0 434 401 42 -5 8 -3 0 0 0 438 396 44 -9 4 1 0 0 0 563 567 36 -4 9 -1 0 0 0 562 555 34 -5 8 3 0 0 0 362 399 50 -4 9 1 0 0 0 359 399 48 -8 5 -3 0 0 0 415 398 45 -9 4 -1 0 0 0 356 379 54 -8 3 -5 0 0 0 396 378 47 -1 9 4 0 0 0 859 814 25 -9 1 -4 0 0 0 776 840 29 -9 -1 -4 0 0 0 304 368 63 -8 -3 -5 0 0 0 406 376 56 -7 5 5 0 0 0 1326 1253 116 -3 9 -3 0 0 0 766 743 39 -7 7 -1 0 0 0 1613 1536 23 -7 7 1 0 0 0 1614 1549 23 -7 5 -5 0 0 0 1255 1185 20 -5 7 5 0 0 0 1090 1152 21 -9 3 -3 0 0 0 784 791 28 -3 9 3 0 0 0 742 792 28 h k l h' k' l' Fo Fc sigma(Fo) -1 7 7 0 0 0 1027 1075 45 1 7 7 0 0 0 1010 937 47 3 9 3 0 0 0 812 838 29 5 7 5 0 0 0 1090 1176 23 -8 6 0 0 0 0 879 836 25 -6 8 0 0 0 0 861 839 24 0 10 0 0 0 0 1654 1504 110 -8 0 -6 0 0 0 806 892 28 0 8 6 0 0 0 837 893 27 -8 6 1 0 0 0 1196 1161 20 -6 8 -1 0 0 0 1217 1166 20 -8 6 -1 0 0 0 1223 1194 20 -6 8 1 0 0 0 1288 1189 19 -7 6 4 0 0 0 302 304 59 -7 6 -4 0 0 0 391 408 47 -7 4 -6 0 0 0 333 409 55 -4 7 6 0 0 0 313 424 61 -8 1 -6 0 0 0 310 504 67 -1 8 6 0 0 0 525 537 39 -8 -1 -6 0 0 0 397 502 55 2 9 4 0 0 0 344 323 57 1 8 6 0 0 0 608 550 36 4 7 6 0 0 0 309 278 62 -7 7 -2 0 0 0 498 429 38 -7 7 2 0 0 0 395 427 47 1 10 1 0 0 0 326 358 71 -2 7 7 0 0 0 632 692 112 2 7 7 0 0 0 697 689 170 -8 6 2 0 0 0 1081 1003 21 -6 8 -2 0 0 0 1158 1039 21 -6 8 2 0 0 0 1124 1042 21 -8 6 -2 0 0 0 1193 1067 21 -10 2 0 0 0 0 1560 1358 23 -2 10 0 0 0 0 1397 1341 21 -10 0 -2 0 0 0 1600 1667 22 -8 2 -6 0 0 0 881 884 26 -2 8 6 0 0 0 837 882 27 0 10 2 0 0 0 1646 1665 27 -8 -2 -6 0 0 0 1052 993 26 2 8 6 0 0 0 1077 1016 25 -5 8 -4 0 0 0 348 300 54 -10 2 1 0 0 0 694 740 33 -2 10 -1 0 0 0 653 722 33 -5 8 4 0 0 0 414 358 45 -8 5 -4 0 0 0 508 370 38 -2 10 1 0 0 0 712 743 30 -4 8 5 0 0 0 360 383 57 -10 2 -1 0 0 0 603 725 36 -8 4 -5 0 0 0 461 381 42 -1 10 2 0 0 0 602 662 34 -10 1 -2 0 0 0 789 699 28 -10 -1 -2 0 0 0 718 681 32 1 10 2 0 0 0 590 675 35 -8 -4 -5 0 0 0 574 507 41 4 8 5 0 0 0 525 505 39 -9 4 3 0 0 0 460 481 43 -4 9 -3 0 0 0 486 513 41 -5 9 0 0 0 0 876 781 24 -9 5 0 0 0 0 755 781 30 -9 4 -3 0 0 0 851 778 27 -4 9 3 0 0 0 746 749 27 -9 3 -4 0 0 0 461 500 44 -3 9 4 0 0 0 290 506 69 -9 0 -5 0 0 0 319 484 66 0 9 5 0 0 0 379 488 53 -9 -3 -4 0 0 0 1064 1106 26 3 9 4 0 0 0 987 1091 27 -7 7 -3 0 0 0 1570 1517 25 -9 5 1 0 0 0 1847 1800 27 -5 9 -1 0 0 0 2030 1950 30 -7 7 3 0 0 0 1407 1402 21 -5 9 1 0 0 0 1683 1716 26 -9 5 -1 0 0 0 1940 1865 31 -3 7 7 0 0 0 1049 1071 187 -9 1 -5 0 0 0 1636 1748 22 -1 9 5 0 0 0 1517 1615 24 -9 -1 -5 0 0 0 1276 1450 23 1 9 5 0 0 0 1556 1616 27 3 7 7 0 0 0 1158 1117 33 -6 6 6 0 0 0 2786 2725 368 -2 10 -2 0 0 0 2388 2082 120 -10 2 -2 0 0 0 2282 2080 30 -2 10 2 0 0 0 2276 2211 30 2 10 2 0 0 0 2509 2505 35 6 6 6 0 0 0 2733 2630 148 -6 8 -3 0 0 0 911 827 24 h k l h' k' l' Fo Fc sigma(Fo) -8 6 3 0 0 0 811 825 27 -8 6 -3 0 0 0 837 827 27 -6 8 3 0 0 0 857 825 25 -3 10 0 0 0 0 719 778 31 -10 3 0 0 0 0 833 786 28 -8 3 -6 0 0 0 414 459 49 -3 8 6 0 0 0 436 484 45 -10 0 -3 0 0 0 927 1041 27 0 10 3 0 0 0 1003 1035 23 -8 -3 -6 0 0 0 345 472 72 3 8 6 0 0 0 531 469 41 -9 5 2 0 0 0 955 904 24 -5 9 -2 0 0 0 991 910 24 -6 7 -5 0 0 0 394 247 49 -9 5 -2 0 0 0 984 939 24 -7 6 -5 0 0 0 465 374 41 -5 9 2 0 0 0 972 932 23 -3 10 -1 0 0 0 426 272 45 -7 5 -6 0 0 0 285 257 70 -10 1 -3 0 0 0 312 300 63 -9 2 -5 0 0 0 630 610 34 -2 9 5 0 0 0 612 599 34 1 10 3 0 0 0 295 253 67 -9 -2 -5 0 0 0 536 590 43 2 9 5 0 0 0 598 603 38 -7 -5 -6 0 0 0 568 512 37 5 7 6 0 0 0 453 507 46 -8 0 -7 0 0 0 431 499 56 0 8 7 0 0 0 499 508 46 -8 5 5 0 0 0 656 613 160 -8 7 1 0 0 0 367 383 57 -8 7 -1 0 0 0 488 392 42 -8 5 -5 0 0 0 472 409 46 -5 8 5 0 0 0 432 376 49 -8 1 -7 0 0 0 409 389 56 -8 -1 -7 0 0 0 387 364 62 5 8 5 0 0 0 591 640 42 -9 5 3 0 0 0 1123 1101 24 -5 9 -3 0 0 0 1200 1125 23 -9 5 -3 0 0 0 1293 1237 23 -5 9 3 0 0 0 1202 1214 23 -3 9 5 0 0 0 894 896 28 -9 3 -5 0 0 0 957 887 27 -9 -3 -5 0 0 0 847 819 34 3 9 5 0 0 0 995 875 29 -6 8 -4 0 0 0 944 851 26 -8 6 4 0 0 0 851 838 28 -6 8 4 0 0 0 906 919 27 -4 10 0 0 0 0 1223 1134 22 -10 4 0 0 0 0 1210 1134 24 -8 6 -4 0 0 0 962 923 26 -8 4 -6 0 0 0 735 686 31 -4 8 6 0 0 0 669 685 35 -10 0 -4 0 0 0 876 884 30 0 10 4 0 0 0 849 889 30 -8 -4 -6 0 0 0 750 784 34 4 8 6 0 0 0 825 780 31 -7 8 -2 0 0 0 734 718 31 -8 7 -2 0 0 0 656 697 36 -9 6 0 0 0 0 623 541 35 -8 7 2 0 0 0 642 731 34 -6 9 0 0 0 0 583 540 37 -7 8 2 0 0 0 677 710 33 -4 10 -1 0 0 0 920 807 27 -10 4 1 0 0 0 787 783 32 -4 10 1 0 0 0 829 783 28 -10 4 -1 0 0 0 879 807 29 -8 2 -7 0 0 0 924 978 29 -2 8 7 0 0 0 857 970 31 -9 0 -6 0 0 0 377 508 63 0 9 6 0 0 0 495 510 45 -8 -2 -7 0 0 0 959 916 30 2 8 7 0 0 0 791 886 35 -9 6 1 0 0 0 310 363 69 -3 10 -3 0 0 0 878 758 109 -10 3 -3 0 0 0 671 483 35 -3 10 3 0 0 0 413 442 56 -9 1 -6 0 0 0 541 503 43 -1 9 6 0 0 0 535 497 44 -9 -1 -6 0 0 0 357 346 68 1 9 6 0 0 0 369 385 62 -10 4 2 0 0 0 1943 1871 29 -4 10 -2 0 0 0 2021 1883 28 -4 10 2 0 0 0 1959 1903 28 -10 4 -2 0 0 0 2053 1920 28 -10 2 -4 0 0 0 1757 1802 24 h k l h' k' l' Fo Fc sigma(Fo) -2 10 4 0 0 0 1788 1810 28 -10 -2 -4 0 0 0 1612 1752 24 2 10 4 0 0 0 1765 1761 23 -6 9 -2 0 0 0 306 244 70 -9 6 -2 0 0 0 347 253 61 -7 6 6 0 0 0 510 464 43 -7 6 -6 0 0 0 330 306 65 6 7 6 0 0 0 394 477 86 -5 9 -4 0 0 0 757 704 32 -8 7 3 0 0 0 516 387 40 -7 8 -3 0 0 0 561 392 39 -9 5 4 0 0 0 729 706 32 -8 7 -3 0 0 0 348 394 66 -5 9 4 0 0 0 704 685 33 -9 5 -4 0 0 0 744 683 31 -4 9 5 0 0 0 426 481 52 -3 8 7 0 0 0 478 411 46 0 11 1 0 0 0 383 410 59 -11 0 -1 0 0 0 468 421 50 -8 -3 -7 0 0 0 431 409 57 3 8 7 0 0 0 428 410 56 4 9 5 0 0 0 533 488 45 -7 7 5 0 0 0 425 418 51 -7 7 -5 0 0 0 417 357 52 -5 7 7 0 0 0 413 442 56 -1 11 -1 0 0 0 705 759 48 -1 11 1 0 0 0 670 692 36 -11 1 -1 0 0 0 685 675 36 1 11 1 0 0 0 732 759 79 -4 10 -3 0 0 0 538 481 43 -8 6 5 0 0 0 439 432 51 -6 8 -5 0 0 0 421 428 52 -10 4 3 0 0 0 503 470 47 -5 10 0 0 0 0 483 596 48 -10 5 0 0 0 0 633 599 38 -10 4 -3 0 0 0 484 489 50 -4 10 3 0 0 0 585 478 38 -11 2 0 0 0 0 383 223 60 0 10 5 0 0 0 731 808 35 -10 0 -5 0 0 0 728 821 35 -5 10 -1 0 0 0 681 674 35 -10 5 1 0 0 0 640 655 38 -9 6 -3 0 0 0 609 548 39 -6 9 3 0 0 0 534 525 42 -5 10 1 0 0 0 703 700 34 -10 5 -1 0 0 0 669 694 42 -10 1 -5 0 0 0 597 682 41 -1 10 5 0 0 0 674 688 36 -10 -1 -5 0 0 0 595 651 42 1 10 5 0 0 0 670 670 38 -9 -3 -6 0 0 0 712 733 40 3 9 6 0 0 0 612 736 43 -8 8 0 0 0 0 2513 2460 35 0 8 8 0 0 0 2443 2588 122 -8 8 1 0 0 0 503 426 45 -8 7 4 0 0 0 365 439 60 -8 8 -1 0 0 0 480 407 48 -7 8 4 0 0 0 362 443 60 -8 7 -4 0 0 0 506 457 45 -8 4 -7 0 0 0 408 560 59 -4 8 7 0 0 0 552 567 43 -2 10 5 0 0 0 335 439 68 2 11 2 0 0 0 330 365 72 -1 8 8 0 0 0 708 691 137 1 8 8 0 0 0 743 653 169 2 10 5 0 0 0 388 469 63 -8 -4 -7 0 0 0 646 598 39 4 8 7 0 0 0 561 608 42 -7 9 0 0 0 0 580 626 39 -9 7 0 0 0 0 563 626 41 -7 9 -1 0 0 0 1766 1678 25 -9 7 1 0 0 0 1609 1666 22 -9 5 5 0 0 0 1406 1380 98 -7 9 1 0 0 0 1412 1472 22 -9 7 -1 0 0 0 1552 1492 21 -3 11 -1 0 0 0 1375 1337 23 -11 3 1 0 0 0 1435 1339 23 -11 3 -1 0 0 0 1439 1476 25 -3 11 1 0 0 0 1425 1487 22 -5 9 5 0 0 0 1347 1477 23 -9 5 -5 0 0 0 1545 1483 22 -1 11 3 0 0 0 1144 1120 24 -11 1 -3 0 0 0 990 1072 30 -11 -1 -3 0 0 0 1191 1282 25 -9 1 -7 0 0 0 1853 1846 27 1 11 3 0 0 0 1292 1280 24 h k l h' k' l' Fo Fc sigma(Fo) -1 9 7 0 0 0 1790 1819 26 -9 -1 -7 0 0 0 1256 1300 27 1 9 7 0 0 0 1396 1373 25 5 9 5 0 0 0 1704 1654 274 -4 10 -4 0 0 0 793 725 32 -8 8 -2 0 0 0 1756 1760 24 -8 8 2 0 0 0 1751 1765 25 -4 10 4 0 0 0 636 612 37 -10 4 -4 0 0 0 674 579 37 -2 8 8 0 0 0 1320 1359 25 4 10 4 0 0 0 701 765 128 2 8 8 0 0 0 1414 1371 28 -6 9 -4 0 0 0 324 299 71 -9 6 -4 0 0 0 339 466 71 -9 4 -6 0 0 0 483 465 49 -4 9 6 0 0 0 390 490 61 -9 -4 -6 0 0 0 375 318 65 4 9 6 0 0 0 357 296 63 -7 9 -2 0 0 0 502 454 45 -9 7 2 0 0 0 419 460 56 -9 7 -2 0 0 0 509 444 46 -7 7 -6 0 0 0 598 501 39 -7 7 6 0 0 0 392 495 59 -3 11 -2 0 0 0 611 642 41 -11 3 2 0 0 0 632 642 42 -6 7 7 0 0 0 801 760 141 -11 3 -2 0 0 0 659 634 39 -3 11 2 0 0 0 664 634 37 -11 2 -3 0 0 0 523 536 48 -2 11 3 0 0 0 340 515 70 -9 2 -7 0 0 0 444 430 55 -2 9 7 0 0 0 356 415 67 -11 -2 -3 0 0 0 361 524 73 2 11 3 0 0 0 492 522 48 -9 -2 -7 0 0 0 525 428 53 2 9 7 0 0 0 436 415 60 -8 6 6 0 0 0 837 808 66 -6 10 0 0 0 0 1542 1534 22 -10 6 0 0 0 0 1538 1534 22 -8 6 -6 0 0 0 821 824 32 -6 8 6 0 0 0 664 825 38 -10 0 -6 0 0 0 1102 1194 28 0 10 6 0 0 0 1101 1187 28 6 8 6 0 0 0 861 832 31 -6 10 -1 0 0 0 331 336 69 -8 8 -3 0 0 0 357 375 66 -10 6 1 0 0 0 378 326 63 -10 6 -1 0 0 0 359 332 67 -3 8 8 0 0 0 488 599 53 -11 0 -4 0 0 0 318 354 78 -10 1 -6 0 0 0 503 454 50 -1 10 6 0 0 0 602 404 39 -10 -1 -6 0 0 0 437 405 60 1 10 6 0 0 0 435 419 57 3 8 8 0 0 0 558 592 105 -7 8 -5 0 0 0 359 250 62 -4 11 -1 0 0 0 418 473 56 -11 4 1 0 0 0 404 475 63 -4 11 1 0 0 0 459 492 51 -11 4 -1 0 0 0 497 494 52 -11 1 -4 0 0 0 472 622 55 -1 11 4 0 0 0 537 617 45 -11 -1 -4 0 0 0 599 668 44 1 11 4 0 0 0 592 655 43 -7 9 -3 0 0 0 719 628 35 -9 7 3 0 0 0 491 548 49 -3 11 -3 0 0 0 1177 1042 25 -7 9 3 0 0 0 523 537 47 -9 7 -3 0 0 0 666 618 39 -3 11 3 0 0 0 1065 1042 27 -11 3 -3 0 0 0 1024 1035 29 -9 3 -7 0 0 0 691 669 38 -3 9 7 0 0 0 504 525 50 3 11 3 0 0 0 600 721 98 3 9 7 0 0 0 491 520 52 -10 6 2 0 0 0 1470 1446 22 -6 10 -2 0 0 0 1570 1526 24 -6 10 2 0 0 0 1514 1588 23 -10 6 -2 0 0 0 1815 1693 28 -10 2 -6 0 0 0 1624 1653 23 -2 10 6 0 0 0 1406 1561 26 -10 -2 -6 0 0 0 1505 1498 25 2 10 6 0 0 0 1612 1613 25 -5 10 -4 0 0 0 413 298 55 -4 11 -2 0 0 0 337 331 72 -11 4 2 0 0 0 376 331 65 h k l h' k' l' Fo Fc sigma(Fo) -10 5 -4 0 0 0 377 305 63 -4 11 2 0 0 0 436 377 55 -5 10 4 0 0 0 386 319 60 -11 4 -2 0 0 0 454 373 55 -10 4 -5 0 0 0 451 408 53 -4 10 5 0 0 0 368 412 67 -11 2 -4 0 0 0 497 353 50 -10 -4 -5 0 0 0 397 393 68 -6 9 -5 0 0 0 353 140 63 -8 8 -4 0 0 0 966 957 30 -8 8 4 0 0 0 906 907 30 -4 8 8 0 0 0 727 719 45 0 12 0 0 0 0 881 931 34 4 8 8 0 0 0 746 696 36 -6 10 -3 0 0 0 761 838 36 -10 6 3 0 0 0 843 854 32 -6 10 3 0 0 0 798 854 33 -10 6 -3 0 0 0 786 838 35 -12 0 -1 0 0 0 585 684 46 0 12 1 0 0 0 566 700 46 3 10 6 0 0 0 439 383 61 -9 8 1 0 0 0 350 441 68 -8 9 -1 0 0 0 367 433 64 -7 9 -4 0 0 0 455 443 54 -9 8 -1 0 0 0 462 382 51 -7 9 4 0 0 0 355 472 68 -5 11 0 0 0 0 664 607 40 -9 7 -4 0 0 0 328 470 77 -11 5 0 0 0 0 653 607 41 -9 1 -8 0 0 0 516 566 54 -11 0 -5 0 0 0 341 276 77 -1 9 8 0 0 0 516 565 53 -9 -1 -8 0 0 0 583 500 48 -5 11 -1 0 0 0 839 810 33 -11 5 1 0 0 0 801 781 36 -11 5 -1 0 0 0 863 776 34 -5 11 1 0 0 0 747 756 36 -7 7 7 0 0 0 2040 2127 103 -1 11 5 0 0 0 1044 1027 30 -11 1 -5 0 0 0 1122 1071 27 -11 -1 -5 0 0 0 976 965 31 1 11 5 0 0 0 958 998 32 7 7 7 0 0 0 1927 1877 37 -2 12 0 0 0 0 1736 1548 27 -12 2 0 0 0 0 1656 1549 25 -12 0 -2 0 0 0 1236 1293 28 0 12 2 0 0 0 1295 1295 26 -9 8 -2 0 0 0 395 440 63 -9 8 2 0 0 0 367 323 65 -8 7 6 0 0 0 321 511 76 -7 8 -6 0 0 0 431 487 58 -8 7 -6 0 0 0 340 398 74 -2 12 -1 0 0 0 584 440 42 -8 6 -7 0 0 0 691 705 38 -6 8 7 0 0 0 764 710 36 -12 2 1 0 0 0 510 470 56 -12 2 -1 0 0 0 421 410 65 -2 12 1 0 0 0 536 443 48 -9 2 -8 0 0 0 372 425 70 1 12 2 0 0 0 360 289 67 -2 9 8 0 0 0 431 447 61 -10 0 -7 0 0 0 357 535 81 0 10 7 0 0 0 508 558 53 -8 -6 -7 0 0 0 423 513 62 6 8 7 0 0 0 504 499 48 -7 10 1 0 0 0 343 332 68 -10 5 5 0 0 0 480 463 87 -10 5 -5 0 0 0 429 304 59 -5 10 5 0 0 0 406 276 61 -10 -1 -7 0 0 0 328 346 82 5 10 5 0 0 0 475 474 54 -6 10 -4 0 0 0 1546 1463 24 -10 6 4 0 0 0 1405 1493 25 -10 6 -4 0 0 0 1233 1204 27 -6 10 4 0 0 0 1172 1226 27 -2 12 -2 0 0 0 358 426 78 -12 2 -2 0 0 0 593 612 50 -4 10 6 0 0 0 1503 1518 25 -10 4 -6 0 0 0 1512 1514 24 -2 12 2 0 0 0 545 596 51 2 12 2 0 0 0 609 528 59 -10 -4 -6 0 0 0 1011 1013 33 4 10 6 0 0 0 1056 1016 31 0 12 3 0 0 0 348 327 74 -9 8 -3 0 0 0 455 400 57 -9 -3 -8 0 0 0 740 598 40 h k l h' k' l' Fo Fc sigma(Fo) 3 9 8 0 0 0 504 559 53 -9 7 5 0 0 0 1071 1086 28 -7 9 -5 0 0 0 1027 916 30 -5 11 -3 0 0 0 721 738 37 -11 5 3 0 0 0 495 603 54 -7 9 5 0 0 0 1067 1088 28 -9 7 -5 0 0 0 1024 923 30 -5 11 3 0 0 0 434 555 59 -11 5 -3 0 0 0 646 689 43 -5 9 7 0 0 0 1055 1140 31 -9 5 -7 0 0 0 1021 979 31 -3 11 5 0 0 0 595 503 43 -11 3 -5 0 0 0 610 610 45 3 11 5 0 0 0 458 465 63 -9 -5 -7 0 0 0 1211 1118 27 5 9 7 0 0 0 945 964 31 -3 12 -2 0 0 0 434 427 59 -12 3 2 0 0 0 365 427 75 -3 12 2 0 0 0 371 455 71 -12 3 -2 0 0 0 498 445 55 -2 12 3 0 0 0 541 553 52 -12 -2 -3 0 0 0 466 624 66 2 12 3 0 0 0 676 591 39 -10 7 3 0 0 0 602 563 44 -7 10 -3 0 0 0 668 567 40 -6 11 -1 0 0 0 327 417 78 -11 6 -1 0 0 0 574 585 48 -10 7 -3 0 0 0 601 581 45 -11 6 1 0 0 0 357 410 74 -6 11 1 0 0 0 607 569 42 -7 10 3 0 0 0 464 590 57 -10 3 -7 0 0 0 514 560 55 -3 10 7 0 0 0 473 570 62 -1 11 6 0 0 0 505 486 53 -11 -1 -6 0 0 0 827 793 37 1 11 6 0 0 0 758 791 39 -10 -3 -7 0 0 0 583 533 49 3 10 7 0 0 0 511 540 55 -4 12 0 0 0 0 2500 2407 34 -12 4 0 0 0 0 2482 2407 36 -12 0 -4 0 0 0 2141 2235 31 0 12 4 0 0 0 2209 2242 33 -8 9 4 0 0 0 332 190 76 -8 9 -4 0 0 0 386 276 70 -4 12 1 0 0 0 427 379 59 -6 10 5 0 0 0 325 212 76 -12 4 -1 0 0 0 376 375 76 -10 5 -6 0 0 0 374 311 67 -12 1 -4 0 0 0 412 391 68 -12 -1 -4 0 0 0 426 406 67 4 9 8 0 0 0 382 271 66 -9 9 -1 0 0 0 557 566 48 -9 9 1 0 0 0 535 550 51 1 9 9 0 0 0 805 757 75 -10 8 0 0 0 0 483 406 54 -8 10 0 0 0 0 390 398 67 -8 8 -6 0 0 0 737 727 40 -4 12 -2 0 0 0 738 723 37 -12 4 2 0 0 0 669 712 45 -8 8 6 0 0 0 723 736 40 -6 8 8 0 0 0 750 764 88 -4 12 2 0 0 0 694 677 41 -12 4 -2 0 0 0 727 689 42 -2 12 4 0 0 0 684 656 41 -12 2 -4 0 0 0 718 667 41 -12 -2 -4 0 0 0 832 791 40 0 10 8 0 0 0 407 470 74 2 12 4 0 0 0 757 794 41 6 8 8 0 0 0 762 699 158 -8 10 1 0 0 0 429 425 62 -10 8 -1 0 0 0 389 425 69 -10 4 -7 0 0 0 620 621 46 -4 10 7 0 0 0 546 634 55 -9 9 2 0 0 0 350 363 73 -9 9 -2 0 0 0 382 354 67 -9 7 6 0 0 0 631 707 44 -7 9 -6 0 0 0 680 718 41 -9 7 -6 0 0 0 551 718 52 -11 6 -3 0 0 0 438 503 66 -6 11 3 0 0 0 453 478 58 -7 9 6 0 0 0 730 707 38 -9 6 -7 0 0 0 492 395 55 -3 11 6 0 0 0 455 475 60 -11 -3 -6 0 0 0 684 679 49 3 11 6 0 0 0 664 689 45 6 9 7 0 0 0 440 403 59 h k l h' k' l' Fo Fc sigma(Fo) -8 10 -2 0 0 0 957 938 32 -10 8 2 0 0 0 919 975 33 -10 8 -2 0 0 0 1066 1031 30 -8 10 2 0 0 0 991 1061 31 -10 2 -8 0 0 0 1008 1011 34 -2 10 8 0 0 0 984 1041 34 -10 -2 -8 0 0 0 1021 950 35 2 10 8 0 0 0 879 920 38 -4 12 -3 0 0 0 383 441 68 -12 4 -3 0 0 0 357 441 80 -12 3 -4 0 0 0 448 431 64 0 12 5 0 0 0 365 391 78 -12 -3 -4 0 0 0 440 422 72 -7 11 0 0 0 0 607 519 46 -9 8 -5 0 0 0 341 323 77 -5 9 8 0 0 0 382 369 75 -9 9 -3 0 0 0 1137 1139 30 -5 11 -5 0 0 0 618 539 46 -7 11 -1 0 0 0 435 434 61 -9 9 3 0 0 0 1160 1222 29 -5 11 5 0 0 0 696 617 40 -11 5 -5 0 0 0 490 515 57 -1 13 -1 0 0 0 1437 1389 150 -1 13 1 0 0 0 1268 1174 29 -13 1 -1 0 0 0 1273 1266 31 -3 9 9 0 0 0 983 1108 35 1 13 1 0 0 0 953 1035 211 -11 1 -7 0 0 0 364 247 79 -11 -1 -7 0 0 0 440 444 66 3 9 9 0 0 0 1312 1257 244 5 11 5 0 0 0 655 604 44 -10 6 6 0 0 0 1364 1323 44 -6 10 6 0 0 0 1354 1268 26 -10 6 -6 0 0 0 1350 1195 26 6 10 6 0 0 0 1578 1459 265 -10 8 3 0 0 0 527 476 50 -5 12 -2 0 0 0 488 520 55 -10 8 -3 0 0 0 410 468 65 -12 5 2 0 0 0 410 549 69 -11 6 -4 0 0 0 414 392 67 -5 12 2 0 0 0 455 453 60 -11 4 -6 0 0 0 403 376 68 -2 12 5 0 0 0 793 767 38 -12 2 -5 0 0 0 713 750 45 -12 -2 -5 0 0 0 543 522 57 2 12 5 0 0 0 411 530 75 -11 7 2 0 0 0 400 369 67 -7 11 -2 0 0 0 353 377 77 -11 7 -2 0 0 0 334 382 82 -10 7 -5 0 0 0 341 273 80 -13 2 1 0 0 0 423 341 72 -11 2 -7 0 0 0 623 601 50 -13 -1 -2 0 0 0 493 531 63 -2 11 7 0 0 0 424 555 72 1 13 2 0 0 0 565 517 50 2 11 7 0 0 0 471 568 66 -11 -2 -7 0 0 0 559 584 62 -4 12 -4 0 0 0 866 878 37 -4 12 4 0 0 0 816 809 36 -12 4 -4 0 0 0 673 805 48 4 12 4 0 0 0 575 613 59 -13 2 -2 0 0 0 370 223 82 -13 3 0 0 0 0 708 789 49 -3 13 0 0 0 0 736 789 43 0 13 3 0 0 0 361 384 76 4 9 9 0 0 0 443 487 81 -7 11 -3 0 0 0 1275 1306 28 -11 7 3 0 0 0 1232 1314 29 -9 7 7 0 0 0 1201 1255 84 -7 11 3 0 0 0 1229 1326 29 -11 7 -3 0 0 0 1301 1315 29 -3 13 -1 0 0 0 961 869 34 -9 7 -7 0 0 0 1213 1133 29 -13 3 1 0 0 0 915 841 39 -7 9 7 0 0 0 1150 1175 29 -13 3 -1 0 0 0 945 1003 39 -3 13 1 0 0 0 1026 985 33 -1 13 3 0 0 0 1084 1007 32 -11 3 -7 0 0 0 978 989 35 -3 11 7 0 0 0 908 1010 38 -13 1 -3 0 0 0 958 1023 38 1 13 3 0 0 0 1072 1035 32 -13 -1 -3 0 0 0 883 1005 40 -11 -3 -7 0 0 0 1205 1137 33 3 11 7 0 0 0 1190 1173 31 7 9 7 0 0 0 1133 1047 91 h k l h' k' l' Fo Fc sigma(Fo) -10 8 4 0 0 0 514 596 56 -8 10 -4 0 0 0 655 582 43 -6 12 0 0 0 0 914 994 35 -8 10 4 0 0 0 565 598 52 -10 8 -4 0 0 0 565 580 53 -12 6 0 0 0 0 911 995 37 -4 10 8 0 0 0 699 726 45 -10 4 -8 0 0 0 625 719 52 -12 0 -6 0 0 0 979 1052 36 0 12 6 0 0 0 1046 1046 34 -10 -4 -8 0 0 0 596 556 52 4 10 8 0 0 0 464 544 60 -12 6 -1 0 0 0 410 387 73 -12 1 -6 0 0 0 358 367 85 -12 -1 -6 0 0 0 399 359 82 -6 11 -5 0 0 0 415 253 67 -3 13 -2 0 0 0 439 462 66 -3 13 2 0 0 0 440 464 65 -5 11 6 0 0 0 371 308 78 -2 13 3 0 0 0 538 477 54 -13 2 -3 0 0 0 505 501 65 -13 -2 -3 0 0 0 575 496 56 2 13 3 0 0 0 527 481 56 5 11 6 0 0 0 391 369 69 -11 -5 -6 0 0 0 351 371 84 -12 6 2 0 0 0 856 853 38 -6 12 -2 0 0 0 922 839 34 -6 12 2 0 0 0 756 811 41 -12 6 -2 0 0 0 865 796 38 -12 2 -6 0 0 0 707 620 46 -2 12 6 0 0 0 641 643 50 -12 -2 -6 0 0 0 488 577 74 2 12 6 0 0 0 701 579 48 -10 7 -6 0 0 0 426 263 70 0 13 4 0 0 0 363 267 83 -10 -2 -9 0 0 0 388 385 83 6 10 7 0 0 0 375 313 69 -4 13 -1 0 0 0 588 522 52 -13 4 1 0 0 0 524 545 64 -1 13 4 0 0 0 841 764 40 -13 1 -4 0 0 0 785 772 45 -3 13 -3 0 0 0 715 731 57 -9 9 5 0 0 0 1169 1242 30 -9 9 -5 0 0 0 1388 1342 28 -3 13 3 0 0 0 676 630 46 -5 9 9 0 0 0 1131 1122 101 -13 3 -3 0 0 0 867 778 39 3 13 3 0 0 0 804 806 166 5 9 9 0 0 0 1093 1051 32 -6 12 -3 0 0 0 512 453 56 -12 6 3 0 0 0 442 459 68 -8 10 -5 0 0 0 440 366 64 -11 8 -2 0 0 0 349 362 83 -10 8 -5 0 0 0 402 358 71 -6 12 3 0 0 0 416 466 71 -11 2 -8 0 0 0 384 360 83 3 12 6 0 0 0 422 294 74 2 11 8 0 0 0 434 304 69 -8 8 8 0 0 0 1813 1741 186 8 8 8 0 0 0 2015 1828 46 -9 8 7 0 0 0 424 144 66 -5 13 0 0 0 0 356 269 81 3 13 4 0 0 0 364 453 90 -7 11 -5 0 0 0 1024 961 33 -11 7 5 0 0 0 970 967 35 -9 -7 -8 0 0 0 338 296 82 -13 5 1 0 0 0 895 886 39 -5 13 -1 0 0 0 816 834 40 -7 11 5 0 0 0 1008 1086 34 -11 7 -5 0 0 0 1030 1072 35 -13 5 -1 0 0 0 801 872 44 -5 13 1 0 0 0 924 913 37 -11 5 -7 0 0 0 791 796 43 -5 11 7 0 0 0 761 825 43 -13 1 -5 0 0 0 513 589 68 -1 13 5 0 0 0 625 651 51 1 13 5 0 0 0 725 702 45 -13 -1 -5 0 0 0 703 718 49 -11 -5 -7 0 0 0 1099 989 33 5 11 7 0 0 0 923 994 36 -12 6 4 0 0 0 993 1141 37 -6 12 -4 0 0 0 1160 1122 30 -12 6 -4 0 0 0 1045 1071 36 -6 12 4 0 0 0 1080 1088 32 0 14 0 0 0 0 496 442 109 -12 4 -6 0 0 0 1056 1137 36 h k l h' k' l' Fo Fc sigma(Fo) -4 12 6 0 0 0 1110 1143 33 4 12 6 0 0 0 903 897 39 -12 -4 -6 0 0 0 987 910 39 -7 12 -2 0 0 0 451 390 66 -10 9 4 0 0 0 373 361 77 -9 10 -4 0 0 0 440 355 66 -10 4 -9 0 0 0 455 470 70 -12 2 -7 0 0 0 603 516 55 -2 12 7 0 0 0 546 490 59 2 12 7 0 0 0 370 475 92 -12 -2 -7 0 0 0 513 478 68 -10 -4 -9 0 0 0 414 401 72 -2 13 5 0 0 0 537 448 57 -8 10 -6 0 0 0 955 1006 38 -10 10 0 0 0 0 1984 2066 30 -10 8 6 0 0 0 937 998 37 -10 8 -6 0 0 0 1004 1030 37 -8 10 6 0 0 0 908 1015 38 -14 2 0 0 0 0 1262 1187 35 -10 6 -8 0 0 0 1200 1153 31 -6 10 8 0 0 0 1134 1146 32 -2 14 0 0 0 0 1268 1186 33 -14 0 -2 0 0 0 1103 1166 37 0 14 2 0 0 0 1169 1144 32 0 10 10 0 0 0 1400 1349 47 -10 -6 -8 0 0 0 913 886 36 6 10 8 0 0 0 882 895 38 -7 12 -3 0 0 0 493 382 60 -12 -3 -7 0 0 0 467 367 73 3 12 7 0 0 0 381 379 82 -11 9 -1 0 0 0 619 611 51 -11 9 1 0 0 0 673 689 47 -9 11 -1 0 0 0 528 553 59 -9 11 1 0 0 0 751 745 42 -13 5 3 0 0 0 897 959 39 -5 13 -3 0 0 0 799 833 42 -13 5 -3 0 0 0 814 887 44 -5 13 3 0 0 0 967 1013 35 -13 3 -5 0 0 0 677 682 51 -3 13 5 0 0 0 872 814 39 -11 1 -9 0 0 0 432 560 83 -1 11 9 0 0 0 641 693 55 -11 -1 -9 0 0 0 588 606 64 -13 -3 -5 0 0 0 956 962 43 3 13 5 0 0 0 722 864 54 1 11 9 0 0 0 398 484 85 -10 10 -2 0 0 0 1065 1050 31 -10 10 2 0 0 0 1047 1120 34 -2 14 -2 0 0 0 929 1064 111 -14 2 -2 0 0 0 1045 1093 38 -2 14 2 0 0 0 915 956 37 2 14 2 0 0 0 1057 1119 218 -2 10 10 0 0 0 854 975 118 2 10 10 0 0 0 1276 1298 250 0 14 3 0 0 0 366 261 84 -10 9 -5 0 0 0 388 364 79 -9 10 -5 0 0 0 524 326 57 -14 3 1 0 0 0 383 167 89 -1 13 6 0 0 0 420 443 77 -13 -1 -6 0 0 0 419 433 83 1 13 6 0 0 0 396 457 82 -11 -6 -7 0 0 0 510 426 58 5 10 9 0 0 0 399 334 69 -12 8 0 0 0 0 502 586 64 -8 12 0 0 0 0 504 589 60 -12 0 -8 0 0 0 667 651 54 0 12 8 0 0 0 493 584 71 -7 12 -4 0 0 0 503 249 56 -3 14 -2 0 0 0 419 424 72 -14 3 -2 0 0 0 425 311 78 -14 2 -3 0 0 0 566 606 61 -2 14 3 0 0 0 426 579 79 -4 12 7 0 0 0 379 258 80 -12 1 -8 0 0 0 418 391 82 -5 13 -4 0 0 0 533 544 59 -13 5 -4 0 0 0 539 551 61 -5 13 4 0 0 0 489 539 64 -9 11 -3 0 0 0 991 1030 36 -11 9 3 0 0 0 946 1073 38 -11 9 -3 0 0 0 1008 1014 35 -9 11 3 0 0 0 1012 1053 36 -9 9 7 0 0 0 362 489 89 -7 9 9 0 0 0 587 560 57 -11 3 -9 0 0 0 934 935 41 -3 11 9 0 0 0 873 987 45 -11 -3 -9 0 0 0 1045 920 36 h k l h' k' l' Fo Fc sigma(Fo) 3 11 9 0 0 0 811 891 42 -12 8 2 0 0 0 926 992 38 -8 12 -2 0 0 0 1002 977 34 -12 8 -2 0 0 0 949 969 36 7 9 9 0 0 0 532 578 57 -8 12 2 0 0 0 922 983 38 -4 14 0 0 0 0 458 338 68 -12 2 -8 0 0 0 917 958 43 -2 12 8 0 0 0 962 974 40 0 14 4 0 0 0 463 413 71 -14 0 -4 0 0 0 471 429 73 -12 -2 -8 0 0 0 938 827 41 2 12 8 0 0 0 695 806 52 -8 10 7 0 0 0 364 230 83 -10 -7 -8 0 0 0 392 292 75 -13 6 -3 0 0 0 388 362 82 -13 -3 -6 0 0 0 607 507 61 3 13 6 0 0 0 488 497 68 -10 10 -4 0 0 0 1030 1121 36 -12 6 6 0 0 0 856 858 92 -10 10 4 0 0 0 987 1092 37 -14 4 2 0 0 0 1044 1145 38 -4 14 -2 0 0 0 1089 1106 33 -12 6 -6 0 0 0 843 891 42 -6 12 6 0 0 0 776 872 44 -4 14 2 0 0 0 999 1045 37 -14 4 -2 0 0 0 990 1018 40 -4 10 10 0 0 0 985 961 109 -2 14 4 0 0 0 1122 1188 35 -14 2 -4 0 0 0 1081 1184 38 -14 -2 -4 0 0 0 861 915 47 2 14 4 0 0 0 964 907 39 4 10 10 0 0 0 1060 1084 107 -12 8 3 0 0 0 369 375 86 -8 12 -3 0 0 0 419 388 71 -10 9 -6 0 0 0 521 355 62 -9 10 6 0 0 0 488 328 61 -12 3 -8 0 0 0 489 470 67 -12 -3 -8 0 0 0 441 446 78 -9 11 -4 0 0 0 453 582 71 -11 9 4 0 0 0 563 582 57 -13 7 0 0 0 0 447 493 75 -11 9 -4 0 0 0 485 591 68 -9 11 4 0 0 0 529 591 61 -7 13 0 0 0 0 407 493 76 -10 -6 -9 0 0 0 534 467 59 6 10 9 0 0 0 369 488 81 -5 13 -5 0 0 0 875 917 142 -11 7 -7 0 0 0 445 441 73 -5 13 5 0 0 0 744 786 46 -13 5 -5 0 0 0 844 879 44 -1 13 7 0 0 0 435 468 77 5 13 5 0 0 0 720 696 72 -4 14 3 0 0 0 371 234 83 -6 11 8 0 0 0 432 313 70 -7 13 -2 0 0 0 403 545 81 -11 -6 -8 0 0 0 446 295 68 -13 7 -2 0 0 0 488 545 69 -12 8 4 0 0 0 1267 1428 32 -8 12 -4 0 0 0 1446 1429 28 -8 12 4 0 0 0 1259 1375 32 -12 8 -4 0 0 0 1302 1378 32 -12 4 -8 0 0 0 1284 1305 33 -4 12 8 0 0 0 1216 1321 35 -12 -4 -8 0 0 0 1463 1352 31 4 12 8 0 0 0 1326 1393 31 -2 14 5 0 0 0 402 311 80 -9 11 -5 0 0 0 875 878 41 -13 7 3 0 0 0 594 659 58 -7 13 -3 0 0 0 691 630 45 -11 9 5 0 0 0 797 851 45 -9 11 5 0 0 0 762 774 45 -11 9 -5 0 0 0 782 801 47 -7 13 3 0 0 0 664 640 49 -13 7 -3 0 0 0 701 604 47 -1 15 -1 0 0 0 935 980 62 -15 1 -1 0 0 0 955 971 44 -1 15 1 0 0 0 1003 931 39 -5 11 9 0 0 0 825 871 44 -11 5 -9 0 0 0 989 911 38 1 15 1 0 0 0 883 939 116 -3 13 7 0 0 0 766 774 49 -13 3 -7 0 0 0 678 743 55 -13 -3 -7 0 0 0 846 794 44 3 13 7 0 0 0 674 743 50 -4 14 -4 0 0 0 564 478 66 h k l h' k' l' Fo Fc sigma(Fo) -11 -5 -9 0 0 0 876 749 40 5 11 9 0 0 0 738 799 46 -10 8 -8 0 0 0 584 582 56 -4 14 4 0 0 0 575 462 58 8 10 8 0 0 0 434 449 92 -6 12 7 0 0 0 423 389 76 -12 6 -7 0 0 0 424 400 77 -12 -6 -7 0 0 0 472 507 68 6 12 7 0 0 0 402 505 75 -13 -5 -6 0 0 0 487 420 68 -6 14 0 0 0 0 734 753 47 -14 6 0 0 0 0 762 756 48 -14 0 -6 0 0 0 677 731 59 0 14 6 0 0 0 767 744 49 -3 15 -1 0 0 0 447 289 70 -15 1 -3 0 0 0 386 347 94 -10 10 -6 0 0 0 1046 1086 36 -6 14 -2 0 0 0 1023 999 35 -14 6 2 0 0 0 1111 1060 35 -10 10 6 0 0 0 933 978 39 -6 14 2 0 0 0 946 982 40 -14 6 -2 0 0 0 897 920 43 -6 10 10 0 0 0 728 755 52 -2 14 6 0 0 0 951 905 42 -14 2 -6 0 0 0 712 820 57 2 14 6 0 0 0 999 1090 46 -14 -2 -6 0 0 0 1075 1159 45 6 10 10 0 0 0 717 677 109 -11 11 0 0 0 0 373 64 89 -8 13 -3 0 0 0 416 263 79 -7 13 -5 0 0 0 587 574 62 -11 11 1 0 0 0 634 657 58 -11 11 -1 0 0 0 735 666 51 -13 -3 -8 0 0 0 477 451 79 -3 15 -3 0 0 0 622 574 61 -7 13 5 0 0 0 474 545 77 -13 7 -5 0 0 0 621 561 62 -5 13 7 0 0 0 640 722 60 -13 5 -7 0 0 0 784 760 51 -15 3 -3 0 0 0 651 565 61 -1 11 11 0 0 0 758 712 110 3 15 3 0 0 0 486 546 86 1 11 11 0 0 0 837 733 65 -12 10 0 0 0 0 531 599 66 -8 12 -6 0 0 0 641 689 58 -10 12 0 0 0 0 575 598 62 -12 8 6 0 0 0 649 681 57 -13 -5 -7 0 0 0 610 534 61 5 13 7 0 0 0 529 573 66 -8 12 6 0 0 0 583 679 64 -12 8 -6 0 0 0 639 693 61 -12 6 -8 0 0 0 684 625 57 -6 12 8 0 0 0 703 626 54 -12 0 -10 0 0 0 612 542 72 0 12 10 0 0 0 553 539 73 6 12 8 0 0 0 599 662 56 -12 -6 -8 0 0 0 839 652 45 -11 5 -10 0 0 0 390 227 97 -12 10 2 0 0 0 449 529 84 -10 12 -2 0 0 0 517 553 69 -6 14 -4 0 0 0 1087 1122 39 -12 10 -2 0 0 0 532 537 68 -14 6 4 0 0 0 1131 1109 39 -14 6 -4 0 0 0 1171 1197 39 -6 14 4 0 0 0 1051 1185 42 -4 14 6 0 0 0 869 934 47 -14 4 -6 0 0 0 901 946 49 -2 12 10 0 0 0 470 390 84 -14 -4 -6 0 0 0 829 926 52 2 12 10 0 0 0 457 472 79 4 14 6 0 0 0 906 938 44 -11 8 -8 0 0 0 520 287 69 -5 15 0 0 0 0 384 334 85 8 11 8 0 0 0 480 447 71 -9 13 1 0 0 0 545 829 69 -13 9 1 0 0 0 734 849 54 -13 9 -1 0 0 0 880 930 44 -9 13 -1 0 0 0 852 944 44 -11 11 -3 0 0 0 387 379 88 -5 15 -1 0 0 0 593 568 60 -15 5 1 0 0 0 607 706 67 -11 9 -7 0 0 0 417 317 88 -5 15 1 0 0 0 613 651 62 -15 5 -1 0 0 0 643 520 60 -1 15 5 0 0 0 611 679 65 -13 1 -9 0 0 0 995 966 48 h k l h' k' l' Fo Fc sigma(Fo) -1 13 9 0 0 0 931 898 47 1 15 5 0 0 0 592 460 66 1 13 9 0 0 0 714 688 58 -13 -1 -9 0 0 0 669 593 66 0 0 0 1 -1 1 278 296 18 0 0 0 1 -2 0 210 157 31 0 0 0 2 -1 0 252 147 25 0 0 0 1 -2 -1 184 55 38 0 0 0 2 -2 1 302 256 25 0 0 0 1 -3 0 399 365 18 0 0 0 3 -1 0 316 365 23 0 0 0 0 -3 -1 336 426 22 0 0 0 3 0 1 289 413 27 0 0 0 3 -1 -1 665 665 112 0 0 0 3 1 1 620 665 16 0 0 0 2 -2 2 2153 2053 141 0 0 0 2 -3 0 377 326 20 0 0 0 3 -2 0 328 347 22 0 0 0 0 -3 -2 278 325 29 0 0 0 3 0 2 388 346 21 0 0 0 1 -3 -2 414 466 18 0 0 0 3 -1 2 503 465 16 0 0 0 4 0 0 616 701 14 0 0 0 2 -3 2 439 423 37 0 0 0 0 -4 -1 206 255 38 0 0 0 4 0 1 205 257 38 0 0 0 4 -1 -1 782 721 185 0 0 0 1 -4 -1 689 626 13 0 0 0 4 -1 1 809 718 13 0 0 0 3 -3 -1 998 962 15 0 0 0 3 -3 1 1028 975 15 0 0 0 3 -1 3 719 859 40 0 0 0 2 -4 0 510 516 17 0 0 0 4 -2 0 519 514 17 0 0 0 2 -4 1 467 503 20 0 0 0 4 -2 -1 509 504 17 0 0 0 1 -4 -2 214 383 38 0 0 0 -1 -4 -2 294 381 31 0 0 0 4 1 2 373 337 25 0 0 0 3 -3 -2 288 284 30 0 0 0 3 -3 2 370 283 24 0 0 0 3 -2 3 485 499 27 0 0 0 2 -4 -2 923 787 13 0 0 0 4 -2 2 815 784 13 0 0 0 3 -4 0 536 613 18 0 0 0 4 -3 0 501 575 20 0 0 0 0 -4 -3 561 633 19 0 0 0 4 0 3 609 635 18 0 0 0 3 -4 -1 426 363 23 0 0 0 4 -3 1 370 361 26 0 0 0 1 -5 0 548 539 18 0 0 0 5 -1 0 420 539 23 0 0 0 4 1 3 461 360 24 0 0 0 1 -5 -1 968 981 15 0 0 0 5 -1 1 856 944 13 0 0 0 5 1 1 959 1093 179 0 0 0 4 -3 -2 367 307 27 0 0 0 3 -4 2 325 316 31 0 0 0 2 -4 -3 376 378 27 0 0 0 4 -2 3 386 377 26 0 0 0 0 -5 -2 251 154 39 0 0 0 2 -5 1 300 346 33 0 0 0 5 -2 -1 304 340 32 0 0 0 -1 -5 -2 292 264 36 0 0 0 4 0 4 1596 1830 301 0 0 0 3 -5 0 281 241 38 0 0 0 5 -3 0 266 241 38 0 0 0 3 -5 1 579 549 21 0 0 0 5 -3 -1 532 556 21 0 0 0 1 -5 -3 573 708 21 0 0 0 5 -1 3 735 711 17 0 0 0 4 -4 -2 581 539 21 0 0 0 4 -4 2 596 545 20 0 0 0 6 0 1 275 320 42 0 0 0 6 -1 -1 370 367 84 0 0 0 6 1 1 402 366 30 0 0 0 2 -6 0 632 590 20 0 0 0 6 -2 0 540 588 23 0 0 0 0 -6 -2 522 626 25 0 0 0 6 0 2 589 623 22 0 0 0 6 -1 2 251 194 46 0 0 0 1 -5 -4 372 395 33 0 0 0 5 -1 4 404 395 30 0 0 0 3 -5 3 379 362 67 0 0 0 3 -5 -3 400 390 31 0 0 0 5 -3 3 371 359 34 h k l h' k' l' Fo Fc sigma(Fo) 0 0 0 6 -2 -2 748 824 44 0 0 0 3 -6 1 367 385 34 0 0 0 6 -3 -1 342 433 36 0 0 0 3 -6 -1 523 428 25 0 0 0 6 -3 1 424 434 31 0 0 0 1 -6 -3 469 427 28 0 0 0 6 -1 3 510 433 26 0 0 0 -1 -6 -3 257 384 55 0 0 0 6 1 3 582 431 25 0 0 0 4 -4 4 842 798 149 0 0 0 5 -4 -3 273 259 50 0 0 0 4 -5 3 345 265 39 0 0 0 5 -5 -1 437 450 31 0 0 0 5 -5 1 417 427 32 0 0 0 7 -1 -1 394 422 40 0 0 0 1 -7 -1 375 423 38 0 0 0 7 -1 1 388 431 35 0 0 0 4 -6 0 372 345 37 0 0 0 6 -4 0 335 336 40 0 0 0 0 -6 -4 243 304 59 0 0 0 6 0 4 277 295 51 0 0 0 4 -6 1 353 323 39 0 0 0 6 -4 -1 380 323 34 0 0 0 2 -7 1 293 258 46 0 0 0 4 -6 -2 314 288 46 0 0 0 6 -2 4 341 336 42 0 0 0 5 -4 4 333 238 43 0 0 0 2 -7 -2 347 305 43 0 0 0 7 -2 2 504 349 29 0 0 0 3 -7 0 615 621 25 0 0 0 7 -3 0 654 621 23 0 0 0 0 -7 -3 299 510 50 0 0 0 7 0 3 395 462 38 0 0 0 3 -7 -1 391 453 39 0 0 0 7 -3 1 321 437 46 0 0 0 5 -3 5 563 630 105 0 0 0 -1 -7 -3 334 512 52 0 0 0 7 1 3 531 527 34 0 0 0 6 -4 -3 456 438 34 0 0 0 4 -6 3 483 440 36 0 0 0 4 -6 -3 387 438 43 0 0 0 6 -4 3 452 440 37 0 0 0 6 -3 4 269 316 58 0 0 0 6 3 4 483 313 42 0 0 0 8 0 0 1221 1231 50 0 0 0 6 -5 -2 284 231 56 0 0 0 7 0 4 393 355 45 0 0 0 6 2 5 337 339 59 0 0 0 7 -3 -3 700 752 25 0 0 0 3 -7 -3 757 752 25 0 0 0 7 -3 3 775 744 24 0 0 0 8 0 2 370 303 44 0 0 0 2 -8 1 338 298 48 0 0 0 4 -7 -2 406 256 41 0 0 0 8 1 2 327 258 52 0 0 0 -3 -6 -5 312 87 65 0 0 0 8 -2 -2 341 426 52 0 0 0 8 -2 2 367 408 46 0 0 0 8 0 3 288 283 59 0 0 0 7 3 4 289 195 70 0 0 0 5 -7 1 293 348 59 0 0 0 7 -5 -1 261 323 63 0 0 0 5 -5 5 742 723 26 0 0 0 7 1 5 306 291 59 0 0 0 6 -6 -2 825 791 24 0 0 0 6 -6 2 895 862 22 0 0 0 6 -2 6 715 826 139 0 0 0 4 -8 0 364 386 46 0 0 0 8 -4 0 301 392 54 0 0 0 7 -5 -3 522 490 34 0 0 0 5 -7 3 519 495 35 0 0 0 5 -7 -3 473 475 39 0 0 0 7 -5 3 481 484 35 0 0 0 9 -1 -1 618 671 46 0 0 0 9 1 1 484 500 88 0 0 0 4 -8 2 456 445 38 0 0 0 8 -4 -2 452 447 36 0 0 0 2 -8 -4 385 532 48 0 0 0 8 -2 4 570 534 32 0 0 0 8 2 4 380 352 50 0 0 0 6 -6 -4 570 538 32 0 0 0 6 -6 4 541 522 34 0 0 0 6 -4 6 558 543 40 0 0 0 4 -8 3 310 174 54 0 0 0 3 -9 1 440 417 41 0 0 0 9 -3 -1 343 393 48 h k l h' k' l' Fo Fc sigma(Fo) 0 0 0 9 -3 1 455 413 38 0 0 0 3 -9 -1 429 392 42 0 0 0 1 -9 -3 399 452 47 0 0 0 9 -1 3 394 485 49 0 0 0 -1 -9 -3 377 424 48 0 0 0 9 1 3 397 399 48 0 0 0 4 -8 -4 1035 987 23 0 0 0 8 -4 4 999 980 23 0 0 0 7 -7 -1 341 369 53 0 0 0 7 -7 1 403 368 47 0 0 0 10 0 0 445 410 43 0 0 0 8 -6 -1 285 268 62 0 0 0 6 -8 -2 400 268 50 0 0 0 10 -2 0 342 365 56 0 0 0 8 2 6 387 270 55 0 0 0 9 -5 1 452 444 41 0 0 0 5 -9 -1 554 488 35 0 0 0 1 -9 -5 356 470 58 0 0 0 9 -1 5 405 424 49 0 0 0 10 -2 2 612 591 34 0 0 0 2 -10 -2 623 540 33 0 0 0 10 2 2 557 634 100 0 0 0 8 -6 3 299 190 61 0 0 0 0 -10 -3 287 240 68 0 0 0 9 2 5 311 173 68 0 0 0 10 -2 3 345 45 59 0 0 0 9 3 5 390 261 63 0 0 0 4 -10 -1 303 185 68 0 0 0 4 -10 2 497 489 44 0 0 0 10 -4 -2 465 494 46 0 0 0 4 -10 -2 613 494 35 0 0 0 10 -4 2 467 491 47 0 0 0 10 2 4 568 471 45 0 0 0 7 -9 1 477 413 47 0 0 0 5 -9 5 367 376 62 0 0 0 9 -7 -1 424 421 54 0 0 0 3 -11 1 365 345 61 0 0 0 8 -8 2 543 440 40 0 0 0 8 -8 -2 391 438 58 0 0 0 8 -2 8 388 372 60 0 0 0 10 -6 0 502 380 44 0 0 0 6 -10 0 348 381 68 0 0 0 10 -6 -2 419 407 55 0 0 0 2 -10 -6 402 424 63 0 0 0 10 -2 6 439 393 54 0 0 0 7 -7 7 570 545 76 0 0 0 2 -12 0 495 387 49 0 0 0 0 -12 -2 317 357 78 0 0 0 10 -6 4 334 331 75 0 0 0 6 -10 -4 450 342 57 0 0 0 7 -9 -5 394 243 65 0 0 0 9 -5 7 428 288 60 0 0 0 4 -12 0 565 614 49 0 0 0 12 -4 0 491 610 55 0 0 0 0 -12 -4 442 596 66 0 0 0 12 0 4 625 587 44 0 0 0 4 -10 -7 353 142 79 0 0 0 0 -13 -1 382 67 68 0 0 0 4 -11 -6 363 96 79 0 0 0 7 -11 3 457 328 60 0 0 0 7 -11 -3 345 323 84 0 0 0 11 -7 3 373 329 74 0 0 0 2 -13 -3 404 131 70 0 0 0 6 -12 -2 386 200 74 0 0 0 12 -2 6 397 177 71 0 0 0 9 -10 2 381 69 71 0 0 0 9 -9 -5 353 340 85 0 0 0 3 -13 -3 422 201 70 0 0 0 8 -8 8 415 454 98 0 0 0 7 -11 5 452 258 64 0 0 0 5 -11 -7 362 221 89 0 0 0 10 -9 4 346 89 79 0 0 0 5 -13 -3 381 219 79 0 0 0 6 -12 -5 428 66 77 0 0 0 -4 -13 -5 414 103 78 0 0 0 11 3 9 404 233 71 0 0 0 14 -4 -3 365 49 83 0 0 0 12 -8 4 359 355 86 0 0 0 9 -9 8 347 4 86 0 0 0 15 -3 -1 407 81 76 0 0 0 6 -14 -3 382 67 93 0 0 0 12 -3 10 420 52 85