#------------------------------------------------------------------------------ #$Date: 2011-02-15 17:23:33 +0200 (Tue, 15 Feb 2011) $ #$Revision: 11387 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2104856.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2104856_Fobs loop_ _publ_author_name 'Budesinsky, Milos' 'Cisarova, Ivana' 'Podlaha, Jaroslav' 'Borremans, Frans' 'Martins, Jos\'e C.' 'Waroquier, Michel' 'Pauwels, Ewald' _publ_section_title ; Structures of cyclic dipeptides: an X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 662 _journal_page_last 677 _journal_volume 66 _journal_year 2010 _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 10.1490 _cell_length_b 10.9390 _cell_length_c 12.3100 _exptl_crystal_F_000 552.00 _reflns_d_resolution_high 0.8420 _[local]_cod_data_source_file so504010b-roomsup13.hkl _[local]_cod_data_source_block 10b-room #BEGIN Tags that were not found in dictionaries: _shelx_title ' mb10b' _shelx_refln_list_code 4 _shelx_f_calc_maximum 101.68 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 4594.38 4413.59 40.90 o 4 0 0 120.95 106.53 2.90 o 6 0 0 27.24 24.93 0.90 o 8 0 0 913.31 871.91 10.48 o 10 0 0 25.06 29.62 1.38 o 12 0 0 1.63 -0.57 3.61 o 1 1 0 45.75 41.77 1.28 o 2 1 0 0.55 1.71 0.57 o 3 1 0 1772.00 1680.94 8.65 o 4 1 0 280.52 258.90 4.09 o 5 1 0 774.77 736.94 7.44 o 6 1 0 214.64 198.16 4.58 o 7 1 0 30.46 32.11 1.08 o 8 1 0 165.95 163.99 4.29 o 9 1 0 16.37 15.81 1.24 o 10 1 0 125.63 123.89 3.79 o 11 1 0 0.88 0.51 2.92 o 12 1 0 6.41 -1.17 4.00 o 0 2 0 10338.71 11457.75 68.70 o 1 2 0 37.55 38.25 1.17 o 2 2 0 1412.36 1290.31 7.05 o 3 2 0 785.65 736.08 6.15 o 4 2 0 792.32 798.53 7.12 o 5 2 0 481.41 483.28 6.27 o 6 2 0 2.15 1.51 1.90 o 7 2 0 266.10 283.94 5.86 o 8 2 0 92.25 95.35 2.91 o 9 2 0 165.66 169.45 4.84 o 10 2 0 28.58 30.29 1.44 o 11 2 0 57.92 60.88 1.84 o 1 3 0 120.50 108.53 2.66 o 2 3 0 383.45 339.59 4.30 o 3 3 0 55.18 68.37 1.95 o 4 3 0 1774.01 1776.74 11.22 o 5 3 0 149.67 153.76 3.98 o 6 3 0 52.97 45.82 1.41 o 7 3 0 29.54 27.94 1.09 o 8 3 0 15.97 16.75 1.12 o 9 3 0 66.39 70.59 2.17 o 10 3 0 13.43 11.83 1.32 o 11 3 0 0.03 -3.30 3.30 o 0 4 0 325.32 317.66 4.28 o 1 4 0 46.68 45.38 1.30 o 2 4 0 0.09 -0.01 0.61 o 3 4 0 34.08 39.12 1.17 o 4 4 0 410.34 413.73 5.95 o 5 4 0 164.49 145.87 4.02 o 6 4 0 241.36 258.69 5.62 o 7 4 0 99.50 101.02 3.22 o 8 4 0 5.62 7.68 1.08 o 9 4 0 9.80 10.26 1.27 o 10 4 0 65.85 67.08 2.04 o 11 4 0 1.35 -0.75 3.37 o 1 5 0 41.24 51.08 1.36 o 2 5 0 49.91 44.28 1.36 o 3 5 0 597.24 602.53 7.14 o 4 5 0 415.76 436.99 6.52 o 5 5 0 20.12 24.33 1.03 o 6 5 0 36.83 39.29 1.20 o 7 5 0 75.50 76.39 2.35 o 8 5 0 21.88 23.01 1.32 o 9 5 0 0.82 -1.41 3.15 o 10 5 0 22.97 24.06 1.56 o 11 5 0 12.38 15.46 1.56 o 0 6 0 989.43 1038.26 9.33 o 1 6 0 326.27 350.04 5.64 o 2 6 0 58.26 45.57 1.38 o 3 6 0 148.01 148.08 4.17 o 4 6 0 101.14 100.90 3.01 o 5 6 0 0.15 -2.41 2.41 o 6 6 0 59.07 61.57 1.75 o 7 6 0 14.30 17.39 1.23 o 8 6 0 37.35 45.47 1.56 o 9 6 0 93.52 108.13 3.10 o 10 6 0 2.94 -3.83 3.83 o 1 7 0 1.50 -0.18 2.25 o 2 7 0 70.59 76.66 2.52 o 3 7 0 6.83 12.04 0.96 o 4 7 0 32.56 34.34 1.18 o 5 7 0 0.11 -1.20 2.47 o 6 7 0 2.11 2.59 1.05 o 7 7 0 0.64 -2.88 2.88 o 8 7 0 1.32 -2.92 3.13 o 9 7 0 1.84 4.91 1.29 o 10 7 0 0.13 1.20 3.48 o 0 8 0 342.34 365.26 6.93 o 1 8 0 31.81 37.46 1.23 o 2 8 0 166.99 178.96 5.22 o 3 8 0 0.04 -0.82 2.65 o 4 8 0 0.02 -2.62 2.71 o 5 8 0 251.02 265.83 6.74 o 6 8 0 13.70 10.95 1.23 o 7 8 0 15.34 13.98 1.35 o 8 8 0 0.81 -3.19 3.19 o 9 8 0 11.19 12.12 1.48 o 1 9 0 53.99 51.73 1.59 o 2 9 0 80.11 83.55 2.41 o 3 9 0 350.48 353.62 7.66 o 4 9 0 147.43 173.82 5.08 o 5 9 0 360.73 372.18 8.50 o 6 9 0 0.33 -0.33 3.22 o 7 9 0 3.72 2.65 1.24 o 8 9 0 2.86 -1.54 3.64 o 0 10 0 21.53 21.71 1.35 o 1 10 0 85.62 86.33 2.58 o 2 10 0 26.65 23.54 1.42 o 3 10 0 5.61 7.13 1.30 o 4 10 0 0.12 -3.39 3.39 o 5 10 0 3.21 3.04 1.32 o 6 10 0 13.56 13.96 1.47 o 7 10 0 12.28 10.19 1.51 o 1 11 0 1.60 0.82 1.26 o 2 11 0 140.35 154.55 4.66 o 3 11 0 46.11 49.75 1.74 o 4 11 0 39.47 41.67 1.69 o 5 11 0 21.57 20.16 1.57 o 6 11 0 1.89 3.07 1.42 o 0 12 0 55.34 62.91 2.19 o 1 12 0 19.05 23.30 1.59 o 2 12 0 0.81 0.00 3.54 o 3 12 0 5.93 6.38 1.45 o 4 12 0 1.55 1.60 3.37 o 1 0 1 186.45 156.00 1.98 o 2 0 1 555.36 478.09 3.94 o 3 0 1 1565.00 1418.36 7.88 o 4 0 1 97.71 98.61 2.82 o 5 0 1 0.05 -0.33 1.66 o 6 0 1 27.79 32.43 0.93 o 7 0 1 32.30 34.94 1.09 o 8 0 1 122.62 111.78 3.43 o 9 0 1 0.12 0.69 1.06 o 10 0 1 0.77 -1.48 2.88 o 11 0 1 0.51 0.88 1.18 o 12 0 1 0.67 -0.39 3.40 o 0 1 1 657.48 662.36 3.48 o 1 1 1 7480.61 7678.15 51.06 o 2 1 1 6588.46 6470.44 54.79 o 3 1 1 792.85 699.45 5.75 o 4 1 1 504.49 481.30 5.45 o 5 1 1 227.09 218.27 4.31 o 6 1 1 531.34 509.16 6.95 o 7 1 1 118.08 127.64 3.67 o 8 1 1 157.59 162.70 4.34 o 9 1 1 153.16 163.20 4.71 o 10 1 1 10.16 1.81 3.06 o 11 1 1 15.01 17.50 1.38 o 0 2 1 862.98 936.09 5.20 o 1 2 1 1117.39 1094.84 5.95 o 2 2 1 888.28 799.34 5.74 o 3 2 1 1400.02 1320.56 8.30 o 4 2 1 155.21 144.00 3.39 o 5 2 1 107.93 90.56 2.75 o 6 2 1 96.56 99.30 2.73 o 7 2 1 29.92 32.01 1.09 o 8 2 1 75.08 71.02 2.22 o 9 2 1 45.61 48.73 1.48 o 10 2 1 27.23 29.51 1.44 o 11 2 1 18.00 19.22 1.48 o 0 3 1 1175.35 1308.27 7.35 o 1 3 1 1547.32 1596.20 8.43 o 2 3 1 179.73 182.11 3.38 o 3 3 1 73.54 70.22 2.25 o 4 3 1 88.78 91.54 2.62 o 5 3 1 249.07 243.11 4.88 o 6 3 1 10.94 11.27 0.88 o 7 3 1 59.41 57.24 1.63 o 8 3 1 33.32 29.67 1.24 o 9 3 1 25.73 24.74 1.33 o 10 3 1 18.41 15.09 1.35 o 11 3 1 7.53 7.10 1.42 o 0 4 1 320.07 338.88 4.49 o 1 4 1 691.13 771.39 6.64 o 2 4 1 101.30 90.46 2.49 o 3 4 1 637.66 595.12 6.59 o 4 4 1 667.64 641.49 7.33 o 5 4 1 35.83 37.66 1.15 o 6 4 1 21.29 24.62 1.02 o 7 4 1 8.92 9.51 1.02 o 8 4 1 28.43 29.10 1.29 o 9 4 1 28.41 23.43 1.47 o 10 4 1 31.78 32.69 1.57 o 11 4 1 13.10 17.78 1.53 o 0 5 1 349.57 393.82 5.35 o 1 5 1 184.18 208.33 4.18 o 2 5 1 288.42 306.62 5.05 o 3 5 1 214.86 217.83 4.55 o 4 5 1 256.78 240.63 5.05 o 5 5 1 46.51 45.05 1.39 o 6 5 1 56.22 49.65 1.50 o 7 5 1 155.95 158.80 4.48 o 8 5 1 121.86 131.54 3.94 o 9 5 1 79.56 77.01 2.25 o 10 5 1 12.58 14.32 1.45 o 11 5 1 8.85 7.94 1.50 o 0 6 1 1202.26 1382.43 10.79 o 1 6 1 708.82 828.67 8.51 o 2 6 1 302.54 324.57 5.65 o 3 6 1 125.65 146.32 4.29 o 4 6 1 202.12 192.54 5.06 o 5 6 1 1.43 -0.21 2.43 o 6 6 1 41.77 47.47 1.35 o 7 6 1 30.46 35.08 1.38 o 8 6 1 65.83 62.35 1.74 o 9 6 1 22.05 23.43 1.45 o 10 6 1 27.28 26.01 1.69 o 0 7 1 1.98 1.11 2.17 o 1 7 1 100.60 103.19 3.27 o 2 7 1 84.35 72.75 2.10 o 3 7 1 310.37 300.60 6.18 o 4 7 1 21.88 19.97 1.08 o 5 7 1 88.48 88.18 2.53 o 6 7 1 55.01 57.70 1.71 o 7 7 1 16.28 18.40 1.27 o 8 7 1 112.19 108.88 3.10 o 9 7 1 29.25 28.51 1.57 o 10 7 1 1.95 3.60 3.79 o 0 8 1 79.48 89.68 2.73 o 1 8 1 119.32 128.09 3.97 o 2 8 1 34.18 35.65 1.21 o 3 8 1 397.97 415.24 7.76 o 4 8 1 182.13 192.30 5.67 o 5 8 1 86.11 85.82 2.61 o 6 8 1 22.60 25.03 1.36 o 7 8 1 5.41 4.90 1.24 o 8 8 1 10.01 8.52 1.39 o 9 8 1 5.35 1.17 3.73 o 0 9 1 312.12 295.43 6.82 o 1 9 1 436.23 461.45 8.30 o 2 9 1 143.93 145.47 4.56 o 3 9 1 240.59 246.60 6.62 o 4 9 1 13.60 19.64 1.35 o 5 9 1 6.72 7.30 1.30 o 6 9 1 16.06 16.76 1.45 o 7 9 1 3.03 4.69 1.24 o 8 9 1 8.52 9.75 1.47 o 0 10 1 55.86 56.41 1.66 o 1 10 1 212.21 210.94 5.63 o 2 10 1 22.24 23.31 1.36 o 3 10 1 112.72 115.34 3.54 o 4 10 1 490.03 500.57 9.86 o 5 10 1 51.76 53.96 1.80 o 6 10 1 0.20 -3.33 3.33 o 7 10 1 4.85 5.03 1.44 o 0 11 1 0.44 -3.33 3.33 o 1 11 1 17.95 18.04 1.45 o 2 11 1 5.62 3.27 1.30 o 3 11 1 17.52 14.86 1.42 o 4 11 1 19.49 18.52 1.53 o 5 11 1 8.74 6.10 1.51 o 6 11 1 7.32 8.34 1.48 o 0 12 1 9.70 3.33 3.73 o 1 12 1 8.76 11.16 1.41 o 2 12 1 3.79 5.60 1.38 o 3 12 1 23.69 26.17 1.69 o 4 12 1 13.03 14.38 1.66 o 0 0 2 4115.21 4109.54 36.13 o 1 0 2 4179.75 4019.40 38.36 o 2 0 2 3503.89 3228.17 39.13 o 3 0 2 1186.66 1141.10 7.43 o 4 0 2 1836.08 1854.21 10.64 o 5 0 2 602.29 601.38 6.78 o 6 0 2 0.01 0.54 0.73 o 7 0 2 82.94 71.24 2.04 o 8 0 2 78.86 80.56 2.56 o 9 0 2 106.38 110.03 3.34 o 10 0 2 0.00 -0.15 2.86 o 11 0 2 2.31 5.03 1.23 o 0 1 2 0.02 0.60 1.47 o 1 1 2 4091.82 3810.42 39.35 o 2 1 2 8131.27 7985.38 66.53 o 3 1 2 1119.64 1057.22 7.32 o 4 1 2 462.03 446.88 5.48 o 5 1 2 860.72 922.67 8.44 o 6 1 2 246.55 234.06 4.88 o 7 1 2 279.68 268.29 5.75 o 8 1 2 91.95 87.66 2.71 o 9 1 2 20.83 21.95 1.27 o 10 1 2 15.71 17.39 1.29 o 11 1 2 4.26 2.71 1.27 o 0 2 2 154.52 150.78 2.71 o 1 2 2 3568.80 3516.93 41.79 o 2 2 2 151.34 109.50 3.25 o 3 2 2 58.17 60.03 1.90 o 4 2 2 130.77 122.37 3.24 o 5 2 2 322.20 326.51 5.26 o 6 2 2 179.76 173.08 4.34 o 7 2 2 17.97 16.96 1.00 o 8 2 2 27.01 23.96 1.23 o 9 2 2 46.34 44.52 1.48 o 10 2 2 57.78 61.85 1.92 o 11 2 2 6.51 7.12 1.30 o 0 3 2 134.68 133.90 2.94 o 1 3 2 269.97 300.77 4.07 o 2 3 2 1393.43 1305.89 8.50 o 3 3 2 279.99 258.32 4.30 o 4 3 2 109.65 111.75 3.33 o 5 3 2 386.63 386.94 6.08 o 6 3 2 24.07 24.38 1.00 o 7 3 2 0.33 1.66 0.88 o 8 3 2 48.67 46.19 1.39 o 9 3 2 127.00 127.27 3.78 o 10 3 2 36.62 34.52 1.53 o 11 3 2 9.33 14.35 1.41 o 0 4 2 431.18 452.70 5.27 o 1 4 2 254.65 288.77 4.39 o 2 4 2 747.63 737.18 7.00 o 3 4 2 308.11 282.02 4.81 o 4 4 2 194.79 203.00 4.52 o 5 4 2 248.03 250.91 5.24 o 6 4 2 205.22 219.68 5.31 o 7 4 2 22.50 25.50 1.15 o 8 4 2 15.29 18.79 1.26 o 9 4 2 13.62 15.34 1.30 o 10 4 2 80.42 87.39 2.61 o 11 4 2 24.13 26.55 1.77 o 0 5 2 1103.19 1211.46 9.41 o 1 5 2 1330.78 1530.29 10.61 o 2 5 2 50.97 49.96 1.56 o 3 5 2 35.55 30.90 1.02 o 4 5 2 337.84 321.27 5.86 o 5 5 2 120.92 123.57 3.78 o 6 5 2 0.20 0.61 0.93 o 7 5 2 104.50 102.45 3.10 o 8 5 2 67.46 67.46 2.05 o 9 5 2 5.35 7.83 1.24 o 10 5 2 14.57 11.77 1.45 o 11 5 2 5.21 1.00 4.00 o 0 6 2 366.57 476.77 6.61 o 1 6 2 227.52 253.19 4.97 o 2 6 2 93.87 110.63 3.34 o 3 6 2 55.15 65.81 1.99 o 4 6 2 105.40 95.37 2.95 o 5 6 2 116.15 115.63 3.40 o 6 6 2 45.38 44.67 1.39 o 7 6 2 26.21 28.60 1.33 o 8 6 2 12.20 11.33 1.29 o 9 6 2 53.86 51.11 1.74 o 10 6 2 34.96 34.10 1.71 o 0 7 2 225.56 249.81 5.32 o 1 7 2 88.27 104.69 3.33 o 2 7 2 0.52 0.00 2.20 o 3 7 2 137.95 120.65 3.65 o 4 7 2 127.94 126.43 3.84 o 5 7 2 5.46 4.00 1.06 o 6 7 2 13.82 13.15 1.21 o 7 7 2 8.25 7.09 1.18 o 8 7 2 30.27 32.50 1.51 o 9 7 2 18.20 15.40 1.47 o 10 7 2 0.28 -1.41 3.49 o 0 8 2 129.70 131.49 3.90 o 1 8 2 88.51 83.91 2.56 o 2 8 2 52.74 54.30 1.83 o 3 8 2 75.32 76.40 2.37 o 4 8 2 160.52 167.16 4.68 o 5 8 2 23.06 21.20 1.35 o 6 8 2 68.48 69.57 2.10 o 7 8 2 3.25 1.24 1.24 o 8 8 2 22.17 23.13 1.51 o 9 8 2 2.96 4.28 1.45 o 0 9 2 66.55 63.67 1.92 o 1 9 2 195.06 180.06 4.86 o 2 9 2 136.67 133.13 3.90 o 3 9 2 18.68 18.07 1.33 o 4 9 2 12.86 13.56 1.26 o 5 9 2 110.19 116.17 3.54 o 6 9 2 97.15 98.35 2.86 o 7 9 2 8.88 6.26 1.38 o 8 9 2 29.70 37.40 1.72 o 0 10 2 11.95 12.06 1.27 o 1 10 2 95.77 89.42 2.58 o 2 10 2 40.46 42.66 1.54 o 3 10 2 110.64 120.10 3.75 o 4 10 2 20.93 20.12 1.41 o 5 10 2 43.45 40.29 1.74 o 6 10 2 55.69 55.19 1.86 o 7 10 2 14.47 13.53 1.56 o 0 11 2 67.94 67.47 1.89 o 1 11 2 34.83 33.34 1.56 o 2 11 2 49.80 47.79 1.71 o 3 11 2 46.26 47.38 1.83 o 4 11 2 0.64 -2.19 3.19 o 5 11 2 0.50 1.92 3.40 o 6 11 2 36.16 34.57 1.86 o 0 12 2 17.85 15.43 1.51 o 1 12 2 34.23 36.93 1.81 o 2 12 2 13.23 12.03 1.54 o 3 12 2 12.80 13.99 1.54 o 4 12 2 2.08 2.17 1.51 o 1 0 3 2290.23 2197.17 9.07 o 2 0 3 3155.10 2793.52 40.31 o 3 0 3 683.71 694.86 6.28 o 4 0 3 183.38 170.84 3.71 o 5 0 3 141.64 132.71 3.62 o 6 0 3 71.38 69.80 2.08 o 7 0 3 127.25 120.72 3.64 o 8 0 3 272.43 267.84 6.26 o 9 0 3 46.84 42.63 1.50 o 10 0 3 19.53 20.75 1.33 o 11 0 3 3.78 6.53 1.29 o 0 1 3 7499.41 8218.30 65.69 o 1 1 3 246.98 234.49 3.36 o 2 1 3 1530.27 1481.97 8.37 o 3 1 3 2256.02 2185.73 11.16 o 4 1 3 368.66 358.59 5.14 o 5 1 3 596.72 600.13 7.09 o 6 1 3 188.30 185.43 4.71 o 7 1 3 7.62 8.24 0.96 o 8 1 3 130.16 126.59 3.67 o 9 1 3 2.60 0.55 2.79 o 10 1 3 53.04 55.03 1.69 o 11 1 3 5.92 1.42 3.57 o 0 2 3 428.03 429.37 4.51 o 1 2 3 1262.15 1287.05 7.71 o 2 2 3 789.94 769.29 6.40 o 3 2 3 54.80 66.49 1.99 o 4 2 3 206.33 203.48 4.16 o 5 2 3 79.85 75.59 2.29 o 6 2 3 49.20 53.80 1.78 o 7 2 3 54.80 60.76 2.07 o 8 2 3 108.58 110.23 3.30 o 9 2 3 162.01 157.28 4.80 o 10 2 3 0.36 1.27 3.03 o 11 2 3 8.16 10.67 1.39 o 0 3 3 555.96 518.66 5.42 o 1 3 3 819.67 902.64 7.13 o 2 3 3 837.06 850.85 7.23 o 3 3 3 188.91 204.95 4.00 o 4 3 3 525.72 509.10 6.56 o 5 3 3 74.01 69.46 2.20 o 6 3 3 135.68 120.08 3.59 o 7 3 3 16.98 17.78 1.08 o 8 3 3 7.39 7.68 1.17 o 9 3 3 89.26 91.48 2.86 o 10 3 3 2.02 3.22 1.21 o 11 3 3 12.30 12.18 1.45 o 0 4 3 755.74 774.76 7.16 o 1 4 3 667.11 747.03 7.10 o 2 4 3 29.98 30.00 0.96 o 3 4 3 49.00 49.88 1.53 o 4 4 3 23.11 19.09 0.93 o 5 4 3 269.04 277.17 5.62 o 6 4 3 16.12 16.97 1.02 o 7 4 3 21.25 19.49 1.14 o 8 4 3 37.03 34.43 1.38 o 9 4 3 86.69 86.17 2.40 o 10 4 3 0.66 1.54 3.18 o 11 4 3 1.22 1.96 1.45 o 0 5 3 68.16 80.45 2.37 o 1 5 3 209.75 266.87 4.88 o 2 5 3 833.73 889.20 8.69 o 3 5 3 144.82 148.30 4.19 o 4 5 3 83.02 75.34 2.26 o 5 5 3 164.25 157.40 4.14 o 6 5 3 117.39 105.90 3.46 o 7 5 3 23.37 22.52 1.29 o 8 5 3 6.42 4.49 1.23 o 9 5 3 35.16 37.98 1.60 o 10 5 3 2.27 -0.91 3.67 o 0 6 3 334.68 423.80 6.42 o 1 6 3 2.08 0.09 2.17 o 2 6 3 50.05 54.83 1.68 o 3 6 3 100.45 99.95 3.00 o 4 6 3 102.64 100.38 3.12 o 5 6 3 36.22 36.55 1.27 o 6 6 3 101.88 97.48 2.94 o 7 6 3 123.53 126.91 3.96 o 8 6 3 36.00 35.21 1.53 o 9 6 3 22.50 21.08 1.50 o 10 6 3 5.39 6.79 1.48 o 0 7 3 4.06 1.57 2.25 o 1 7 3 15.98 13.90 0.99 o 2 7 3 66.63 70.84 2.34 o 3 7 3 23.10 22.23 1.06 o 4 7 3 57.92 58.60 1.77 o 5 7 3 50.94 55.36 1.68 o 6 7 3 238.53 230.79 6.41 o 7 7 3 85.77 81.93 2.58 o 8 7 3 13.65 14.26 1.39 o 9 7 3 20.32 22.79 1.57 o 0 8 3 1.21 0.73 0.90 o 1 8 3 1.49 1.38 2.61 o 2 8 3 123.93 124.51 3.61 o 3 8 3 43.01 39.58 1.39 o 4 8 3 44.90 44.24 1.47 o 5 8 3 61.24 64.58 1.96 o 6 8 3 2.63 3.55 1.23 o 7 8 3 4.73 7.34 1.30 o 8 8 3 2.11 2.19 3.19 o 9 8 3 5.73 7.21 1.45 o 0 9 3 384.56 408.08 8.10 o 1 9 3 14.98 10.22 1.17 o 2 9 3 246.07 242.21 6.59 o 3 9 3 306.44 311.42 7.39 o 4 9 3 2.75 0.15 3.01 o 5 9 3 152.17 148.69 4.59 o 6 9 3 84.38 87.23 2.53 o 7 9 3 5.06 4.88 1.35 o 8 9 3 13.12 14.89 1.59 o 0 10 3 420.11 395.22 8.54 o 1 10 3 31.49 33.25 1.48 o 2 10 3 116.51 108.98 3.45 o 3 10 3 12.45 10.95 1.29 o 4 10 3 10.19 10.74 1.35 o 5 10 3 11.53 15.40 1.41 o 6 10 3 36.60 43.26 1.80 o 7 10 3 1.03 2.41 3.43 o 0 11 3 0.05 -3.06 3.06 o 1 11 3 2.11 2.16 1.26 o 2 11 3 42.92 42.48 1.66 o 3 11 3 14.85 15.27 1.44 o 4 11 3 34.79 35.72 1.66 o 5 11 3 30.90 29.55 1.78 o 0 12 3 26.34 26.37 1.68 o 1 12 3 11.39 10.28 1.53 o 2 12 3 8.86 6.83 1.56 o 3 12 3 2.52 2.16 1.50 o 0 0 4 63.27 56.38 1.78 o 1 0 4 36.09 35.39 0.99 o 2 0 4 1100.68 1053.47 7.58 o 3 0 4 5551.20 5467.03 67.69 o 4 0 4 1850.61 1873.96 11.82 o 5 0 4 1263.00 1202.29 10.25 o 6 0 4 62.32 56.39 1.62 o 7 0 4 0.47 0.54 2.38 o 8 0 4 22.19 20.71 1.21 o 9 0 4 2.21 0.69 1.08 o 10 0 4 5.64 6.83 1.21 o 11 0 4 0.01 -2.52 3.28 o 0 1 4 5250.72 5311.25 58.65 o 1 1 4 1713.25 1674.79 9.23 o 2 1 4 801.49 795.13 6.76 o 3 1 4 547.84 495.88 5.82 o 4 1 4 7.28 8.27 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8 4 99.17 102.27 3.12 o 5 8 4 348.96 332.20 7.72 o 6 8 4 36.02 32.08 1.51 o 7 8 4 54.72 54.01 1.77 o 8 8 4 36.05 36.08 1.72 o 0 9 4 44.49 40.56 1.47 o 1 9 4 88.67 75.12 2.17 o 2 9 4 122.04 126.36 3.96 o 3 9 4 14.23 10.55 1.30 o 4 9 4 19.84 21.66 1.36 o 5 9 4 15.58 17.83 1.42 o 6 9 4 17.67 13.47 1.42 o 7 9 4 43.56 47.92 1.86 o 8 9 4 1.89 0.81 3.58 o 0 10 4 0.04 0.31 2.79 o 1 10 4 101.52 89.77 2.73 o 2 10 4 27.12 24.51 1.48 o 3 10 4 129.74 125.11 3.76 o 4 10 4 42.58 44.01 1.69 o 5 10 4 2.91 2.71 3.27 o 6 10 4 13.36 10.13 1.59 o 0 11 4 9.99 8.93 1.36 o 1 11 4 6.21 6.58 1.27 o 2 11 4 12.23 14.77 1.41 o 3 11 4 7.56 3.30 3.60 o 4 11 4 15.03 17.51 1.62 o 5 11 4 27.96 31.19 1.77 o 0 12 4 0.00 -0.58 3.62 o 1 12 4 7.16 8.76 1.51 o 2 12 4 51.03 51.86 2.02 o 3 12 4 6.49 2.86 1.59 o 1 0 5 1029.28 971.11 7.67 o 2 0 5 69.82 74.81 2.37 o 3 0 5 1569.74 1671.67 11.06 o 4 0 5 17.77 14.37 0.85 o 5 0 5 1198.44 1232.98 10.90 o 6 0 5 3.49 0.79 2.35 o 7 0 5 165.01 173.87 5.13 o 8 0 5 134.17 127.69 3.85 o 9 0 5 0.76 1.59 1.05 o 10 0 5 0.07 2.64 2.98 o 11 0 5 0.01 -2.97 3.28 o 0 1 5 22.96 22.01 0.75 o 1 1 5 67.72 73.77 2.28 o 2 1 5 140.78 163.15 3.57 o 3 1 5 971.03 953.61 8.47 o 4 1 5 1009.68 999.00 9.25 o 5 1 5 31.02 30.10 1.03 o 6 1 5 237.19 234.85 5.63 o 7 1 5 47.93 45.90 1.38 o 8 1 5 18.08 17.14 1.23 o 9 1 5 12.61 13.84 1.26 o 10 1 5 25.19 26.85 1.53 o 11 1 5 12.51 13.24 1.54 o 0 2 5 29.51 29.73 0.94 o 1 2 5 1182.81 1245.93 9.14 o 2 2 5 461.48 473.37 5.99 o 3 2 5 377.36 423.07 5.93 o 4 2 5 178.75 170.65 4.26 o 5 2 5 266.78 253.71 5.38 o 6 2 5 515.85 490.61 7.68 o 7 2 5 8.36 11.25 1.06 o 8 2 5 34.05 36.77 1.42 o 9 2 5 40.93 42.16 1.53 o 10 2 5 6.20 1.87 3.06 o 11 2 5 11.25 12.28 1.53 o 0 3 5 3.19 3.40 0.72 o 1 3 5 1667.04 1850.75 11.69 o 2 3 5 109.05 121.15 3.51 o 3 3 5 35.67 35.59 1.06 o 4 3 5 15.79 13.38 0.88 o 5 3 5 72.17 69.66 1.92 o 6 3 5 200.41 209.09 5.39 o 7 3 5 182.86 196.99 5.88 o 8 3 5 172.86 163.43 4.58 o 9 3 5 46.77 47.71 1.65 o 10 3 5 20.17 21.93 1.47 o 0 4 5 169.04 208.65 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15.57 12.73 1.47 o 9 7 5 35.88 37.16 1.84 o 0 8 5 103.16 90.87 2.68 o 1 8 5 9.79 8.16 1.14 o 2 8 5 99.77 92.65 2.73 o 3 8 5 25.49 24.33 1.32 o 4 8 5 0.14 -2.73 2.89 o 5 8 5 12.33 11.58 1.30 o 6 8 5 3.71 3.19 1.24 o 7 8 5 6.33 5.80 1.33 o 8 8 5 8.99 3.67 3.82 o 0 9 5 0.38 -2.01 2.92 o 1 9 5 11.70 12.60 1.26 o 2 9 5 138.46 129.68 3.84 o 3 9 5 22.49 26.25 1.44 o 4 9 5 147.34 126.36 3.67 o 5 9 5 9.70 10.59 1.32 o 6 9 5 16.02 15.89 1.39 o 7 9 5 8.36 6.17 1.53 o 0 10 5 0.77 2.41 2.97 o 1 10 5 190.27 172.91 5.43 o 2 10 5 11.95 12.30 1.32 o 3 10 5 14.93 15.80 1.44 o 4 10 5 22.13 23.76 1.60 o 5 10 5 8.41 6.68 1.48 o 6 10 5 3.72 3.15 1.47 o 0 11 5 15.12 14.35 1.44 o 1 11 5 1.37 -3.16 3.16 o 2 11 5 17.83 20.49 1.50 o 3 11 5 15.89 16.19 1.60 o 4 11 5 82.19 93.34 2.79 o 0 12 5 9.79 10.08 1.47 o 1 12 5 6.22 -1.02 4.13 o 2 12 5 11.28 12.21 1.65 o 0 0 6 382.68 348.81 5.14 o 1 0 6 12.47 11.30 0.69 o 2 0 6 34.85 43.45 1.29 o 3 0 6 479.84 518.88 6.71 o 4 0 6 3.40 6.20 0.79 o 5 0 6 317.99 315.71 6.00 o 6 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6 81.96 78.81 2.38 o 2 8 6 71.01 65.62 2.11 o 3 8 6 88.30 79.06 2.10 o 4 8 6 15.39 14.25 1.30 o 5 8 6 67.02 66.20 1.98 o 6 8 6 0.21 1.74 1.21 o 7 8 6 15.83 15.03 1.51 o 8 8 6 6.62 6.01 1.53 o 0 9 6 158.37 151.43 4.35 o 1 9 6 90.99 89.08 2.77 o 2 9 6 33.70 30.67 1.47 o 3 9 6 52.99 47.64 1.62 o 4 9 6 24.00 23.48 1.45 o 5 9 6 1.11 1.65 1.23 o 6 9 6 4.34 -3.57 3.57 o 7 9 6 29.78 28.56 1.78 o 0 10 6 58.16 61.01 1.83 o 1 10 6 20.46 17.32 1.41 o 2 10 6 7.96 8.52 1.33 o 3 10 6 0.92 -2.86 3.19 o 4 10 6 25.00 27.39 1.60 o 5 10 6 11.43 9.39 1.57 o 0 11 6 5.85 1.69 3.58 o 1 11 6 14.10 12.33 1.53 o 2 11 6 10.10 10.25 1.44 o 3 11 6 37.40 33.98 1.77 o 4 11 6 2.91 0.27 1.51 o 1 0 7 85.91 72.91 2.13 o 2 0 7 567.25 553.34 7.15 o 3 0 7 102.86 102.38 3.13 o 4 0 7 1.75 0.96 2.08 o 5 0 7 105.12 108.94 3.60 o 6 0 7 0.02 -2.55 2.55 o 7 0 7 46.08 44.58 1.41 o 8 0 7 29.59 25.29 1.39 o 9 0 7 1.82 2.76 2.92 o 10 0 7 8.33 7.33 1.42 o 0 1 7 68.71 68.86 2.11 o 1 1 7 576.60 592.91 7.29 o 2 1 7 229.85 216.04 4.81 o 3 1 7 253.28 245.53 5.23 o 4 1 7 127.78 130.64 3.73 o 5 1 7 7.51 8.12 0.97 o 6 1 7 18.02 17.71 1.12 o 7 1 7 43.82 44.41 1.42 o 8 1 7 11.22 9.83 1.30 o 9 1 7 4.00 0.16 3.40 o 10 1 7 9.17 8.72 1.47 o 0 2 7 14.41 11.70 0.84 o 1 2 7 237.18 256.81 5.06 o 2 2 7 111.06 91.88 2.76 o 3 2 7 43.23 45.44 1.42 o 4 2 7 51.97 51.87 1.65 o 5 2 7 322.26 329.21 6.63 o 6 2 7 76.20 72.71 2.13 o 7 2 7 49.56 45.41 1.51 o 8 2 7 64.24 59.63 1.77 o 9 2 7 1.23 0.33 3.57 o 10 2 7 10.04 10.14 1.48 o 0 3 7 26.86 24.12 1.02 o 1 3 7 502.76 547.18 7.49 o 2 3 7 135.34 139.90 3.69 o 3 3 7 46.18 50.47 1.45 o 4 3 7 220.54 209.50 5.40 o 5 3 7 272.39 256.14 6.26 o 6 3 7 68.78 68.85 2.14 o 7 3 7 50.21 50.56 1.57 o 8 3 7 21.59 17.26 1.36 o 9 3 7 4.35 -3.45 3.45 o 10 3 7 25.38 27.96 1.75 o 0 4 7 188.11 215.76 5.06 o 1 4 7 96.29 105.35 3.10 o 2 4 7 18.79 20.68 1.05 o 3 4 7 83.91 80.70 2.52 o 4 4 7 33.52 32.84 1.27 o 5 4 7 16.57 15.37 1.21 o 6 4 7 117.23 110.08 3.27 o 7 4 7 28.40 29.79 1.45 o 8 4 7 19.83 22.35 1.45 o 9 4 7 9.83 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58.67 1.75 o 6 6 8 10.55 10.73 1.24 o 7 6 8 6.88 9.53 1.32 o 8 6 8 3.15 5.59 1.35 o 0 7 8 33.35 30.94 1.36 o 1 7 8 92.66 94.86 2.89 o 2 7 8 26.17 25.41 1.35 o 3 7 8 3.68 1.75 1.15 o 4 7 8 0.96 1.72 2.74 o 5 7 8 6.92 5.98 1.26 o 6 7 8 10.66 11.12 1.36 o 7 7 8 5.69 7.65 1.45 o 0 8 8 0.16 0.78 2.89 o 1 8 8 51.47 51.52 1.65 o 2 8 8 24.07 22.31 1.39 o 3 8 8 35.13 31.88 1.50 o 4 8 8 21.13 21.83 1.44 o 5 8 8 7.44 8.25 1.33 o 6 8 8 5.81 4.45 1.44 o 0 9 8 9.07 8.49 1.33 o 1 9 8 19.37 22.44 1.45 o 2 9 8 34.01 29.23 1.53 o 3 9 8 24.77 22.62 1.53 o 4 9 8 6.51 5.80 1.39 o 5 9 8 2.39 2.16 1.45 o 0 10 8 18.11 16.48 1.56 o 1 10 8 0.57 -3.27 3.27 o 2 10 8 9.69 9.78 1.44 o 3 10 8 12.44 13.75 1.59 o 1 0 9 64.15 64.20 1.74 o 2 0 9 211.22 211.85 5.37 o 3 0 9 0.39 -0.45 2.28 o 4 0 9 8.49 10.16 1.06 o 5 0 9 45.78 43.38 1.44 o 6 0 9 6.21 9.36 1.15 o 7 0 9 2.48 3.01 1.15 o 8 0 9 0.26 2.17 1.17 o 9 0 9 3.54 3.58 1.39 o 0 1 9 89.11 90.69 2.76 o 1 1 9 33.42 29.38 1.11 o 2 1 9 89.63 88.99 2.79 o 3 1 9 10.93 12.82 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11 6.66 9.24 1.35 o 7 1 11 4.15 -0.90 3.60 o 0 2 11 109.35 105.44 3.19 o 1 2 11 11.08 10.23 1.23 o 2 2 11 84.06 85.53 2.64 o 3 2 11 13.77 12.30 1.26 o 4 2 11 9.64 9.44 1.26 o 5 2 11 51.21 48.07 1.72 o 6 2 11 25.65 24.63 1.51 o 7 2 11 4.79 -1.11 3.71 o 0 3 11 13.38 14.76 1.26 o 1 3 11 109.62 115.28 3.60 o 2 3 11 111.01 120.57 3.49 o 3 3 11 69.13 69.54 2.01 o 4 3 11 5.19 8.90 1.26 o 5 3 11 13.97 14.52 1.38 o 6 3 11 18.97 18.97 1.54 o 7 3 11 1.67 5.09 1.42 o 0 4 11 0.64 -2.97 3.09 o 1 4 11 7.95 12.16 1.32 o 2 4 11 0.95 -1.53 3.22 o 3 4 11 7.76 9.47 1.33 o 4 4 11 6.64 7.24 1.33 o 5 4 11 22.42 20.64 1.59 o 6 4 11 28.24 30.14 1.65 o 7 4 11 10.17 11.44 1.68 o 0 5 11 67.03 76.87 2.44 o 1 5 11 19.76 25.30 1.50 o 2 5 11 97.85 97.47 3.01 o 3 5 11 22.97 20.93 1.51 o 4 5 11 12.77 10.74 1.44 o 5 5 11 12.31 11.59 1.56 o 6 5 11 9.86 9.21 1.56 o 0 6 11 3.00 -3.37 3.40 o 1 6 11 86.11 84.69 2.61 o 2 6 11 2.05 4.30 1.27 o 3 6 11 9.01 7.09 1.33 o 4 6 11 10.04 10.31 1.54 o 5 6 11 9.23 9.30 1.48 o 0 7 11 0.00 0.48 1.24 o 1 7 11 20.00 22.46 1.48 o 2 7 11 75.96 75.80 2.44 o 3 7 11 5.84 4.06 1.47 o 4 7 11 0.39 1.14 1.42 o 0 8 11 13.75 9.77 1.53 o 1 8 11 1.52 4.61 1.39 o 2 8 11 5.50 6.61 1.50 o 0 0 12 3.90 2.04 1.15 o 1 0 12 15.47 12.18 1.29 o 2 0 12 0.35 -3.12 3.12 o 3 0 12 13.09 14.95 1.30 o 4 0 12 1.37 2.92 1.15 o 5 0 12 5.20 8.51 1.26 o 6 0 12 1.43 1.06 1.42 o 0 1 12 10.64 8.36 1.29 o 1 1 12 88.48 84.27 2.35 o 2 1 12 16.89 18.34 1.35 o 3 1 12 4.07 4.33 1.23 o 4 1 12 6.55 6.32 1.26 o 5 1 12 2.97 3.18 1.29 o 6 1 12 0.40 -2.92 3.62 o 0 2 12 37.44 38.81 1.56 o 1 2 12 23.74 22.80 1.41 o 2 2 12 28.34 29.78 1.54 o 3 2 12 16.51 14.71 1.41 o 4 2 12 14.30 12.49 1.39 o 5 2 12 1.47 4.43 1.29 o 6 2 12 4.20 6.92 1.50 o 0 3 12 2.18 1.45 1.21 o 1 3 12 10.14 11.37 1.33 o 2 3 12 20.07 18.05 1.42 o 3 3 12 20.55 19.09 1.45 o 4 3 12 26.22 29.92 1.59 o 5 3 12 13.20 14.46 1.56 o 6 3 12 13.63 14.77 1.59 o 0 4 12 111.49 118.61 3.66 o 1 4 12 20.81 21.05 1.50 o 2 4 12 32.06 33.95 1.60 o 3 4 12 14.15 13.30 1.45 o 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