#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/35/2103568.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2103568_Fobs loop_ _publ_author_name 'In, Yasuko' 'Fujii, Mayumi' 'Sasada, Yasuhiro' 'Ishida, Toshimasa' _publ_section_title ; Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 72 _journal_page_last 81 _journal_volume 57 _journal_year 2001 _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 7.5361 _cell_length_b 32.4870 _cell_length_c 5.2768 _exptl_crystal_F_000 560.00 _reflns_d_resolution_high 0.8337 _[local]_cod_data_source_file oa0030argNH2sup8.hkl _[local]_cod_data_source_block argNH2 #BEGIN Tags that were not found in dictionaries: _shelx_title ' H-ARG-NH2 C6H20N5O2CL2 Z=4 P212121' _shelx_refln_list_code 4 _shelx_F_calc_maximum 165.42 _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, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' 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 3535.44 3927.93 16.49 o 4 0 0 2462.25 2675.97 10.24 o 6 0 0 11.28 15.13 1.39 o 8 0 0 36.09 38.15 2.15 o 1 1 0 302.15 161.33 1.17 o 2 1 0 56.15 47.85 1.07 o 3 1 0 841.82 726.03 4.32 o 4 1 0 1098.85 968.94 6.02 o 5 1 0 243.44 231.28 3.60 o 6 1 0 259.45 265.26 4.33 o 7 1 0 311.38 318.05 4.87 o 8 1 0 13.53 13.51 1.19 o 0 2 0 59.53 51.32 0.99 o 1 2 0 946.89 625.04 4.80 o 2 2 0 115.54 130.47 1.57 o 3 2 0 2012.23 1910.98 7.08 o 4 2 0 2390.54 2235.32 9.19 o 5 2 0 52.39 46.15 1.99 o 6 2 0 1134.15 1003.97 8.03 o 7 2 0 8.65 11.99 1.00 o 8 2 0 257.18 224.40 3.95 o 1 3 0 497.31 533.87 2.59 o 2 3 0 2753.18 3281.82 15.33 o 3 3 0 5.24 4.79 0.46 o 4 3 0 85.88 73.96 2.01 o 5 3 0 71.96 77.63 2.36 o 6 3 0 207.18 202.68 3.87 o 7 3 0 5.67 5.11 0.61 o 8 3 0 172.58 160.30 3.45 o 0 4 0 1820.79 1374.07 11.88 o 1 4 0 101.52 110.32 1.56 o 2 4 0 6760.04 8133.22 51.21 o 3 4 0 6642.29 6487.62 14.59 o 4 4 0 1446.74 1488.58 7.52 o 5 4 0 26.69 32.03 1.80 o 6 4 0 28.96 25.77 2.04 o 7 4 0 275.86 284.76 4.60 o 8 4 0 17.17 19.42 1.34 o 1 5 0 205.18 113.20 1.81 o 2 5 0 3761.20 4099.75 19.73 o 3 5 0 253.78 231.04 2.76 o 4 5 0 0.87 -0.27 1.30 o 5 5 0 586.98 615.33 5.68 o 6 5 0 521.35 543.63 6.00 o 7 5 0 14.02 15.61 1.24 o 8 5 0 44.53 49.84 2.26 o 0 6 0 44.15 64.90 2.20 o 1 6 0 5.76 37.91 1.52 o 2 6 0 1054.68 1141.44 5.52 o 3 6 0 2569.44 2240.57 8.72 o 4 6 0 8.86 4.80 0.51 o 5 6 0 0.17 2.85 0.60 o 6 6 0 313.90 301.58 4.68 o 7 6 0 79.14 77.60 2.73 o 8 6 0 7.57 7.39 0.73 o 1 7 0 1.65 1.33 1.37 o 2 7 0 1620.35 1787.64 7.50 o 3 7 0 2639.75 2783.18 10.16 o 4 7 0 8.50 8.18 0.73 o 5 7 0 2182.11 2068.62 10.82 o 6 7 0 205.47 190.53 3.96 o 7 7 0 311.93 324.47 4.94 o 8 7 0 95.65 85.59 2.63 o 0 8 0 23787.37 27676.88 169.85 o 1 8 0 1406.23 1082.53 6.46 o 2 8 0 3425.70 3439.76 11.42 o 3 8 0 10.39 19.52 1.59 o 4 8 0 796.62 753.76 6.03 o 5 8 0 310.70 292.76 4.34 o 6 8 0 263.72 223.21 4.18 o 7 8 0 146.30 144.82 3.53 o 8 8 0 2.58 3.25 0.59 o 1 9 0 539.96 435.02 4.49 o 2 9 0 1875.26 2046.96 9.22 o 3 9 0 116.09 93.19 2.41 o 4 9 0 71.02 71.90 2.44 o 5 9 0 4.56 4.05 0.64 o 6 9 0 83.91 81.35 2.93 o 7 9 0 86.80 70.32 2.84 o 8 9 0 105.18 96.78 2.80 o 0 10 0 38.98 70.68 2.71 o 1 10 0 354.20 322.19 4.15 o 2 10 0 1288.98 1263.77 7.64 o 3 10 0 456.83 453.17 4.81 o 4 10 0 2564.88 2474.99 11.94 o 5 10 0 34.68 40.32 2.25 o 6 10 0 1085.94 962.79 8.53 o 7 10 0 4.16 4.36 0.68 o 8 10 0 242.85 187.80 3.67 o 1 11 0 684.16 674.46 6.06 o 2 11 0 420.52 457.46 5.00 o 3 11 0 127.49 143.79 3.15 o 4 11 0 1146.79 1073.89 8.13 o 5 11 0 607.05 497.74 6.05 o 6 11 0 9.05 12.10 1.13 o 7 11 0 484.61 418.19 5.76 o 8 11 0 171.55 144.23 3.18 o 0 12 0 27363.85 28510.66 53.11 o 1 12 0 1937.86 2081.93 10.94 o 2 12 0 3745.16 3663.84 14.87 o 3 12 0 1960.54 1996.31 10.96 o 4 12 0 473.24 436.20 5.59 o 5 12 0 68.33 66.63 2.83 o 6 12 0 0.46 1.86 0.68 o 7 12 0 5.67 6.62 0.73 o 8 12 0 6.15 7.08 0.69 o 1 13 0 200.26 257.90 4.17 o 2 13 0 960.27 851.13 7.35 o 3 13 0 291.02 306.51 4.87 o 4 13 0 965.30 871.46 7.97 o 5 13 0 197.74 165.61 4.01 o 6 13 0 216.39 187.21 4.30 o 7 13 0 3.83 3.31 0.68 o 8 13 0 2.65 -0.81 1.45 o 0 14 0 246.43 254.63 4.20 o 1 14 0 56.67 83.77 2.90 o 2 14 0 20.58 29.63 2.34 o 3 14 0 494.19 422.99 5.66 o 4 14 0 553.75 495.97 6.49 o 5 14 0 6.07 6.50 0.84 o 6 14 0 61.98 55.84 2.82 o 7 14 0 151.31 126.78 3.66 o 8 14 0 160.57 130.36 3.11 o 1 15 0 4.53 3.38 0.80 o 2 15 0 829.45 820.33 7.66 o 3 15 0 1.08 -1.39 2.19 o 4 15 0 11.31 6.99 0.92 o 5 15 0 465.20 431.81 6.39 o 6 15 0 93.88 80.31 3.22 o 7 15 0 245.20 202.11 4.46 o 8 15 0 197.90 165.01 3.51 o 0 16 0 1235.06 1201.50 8.91 o 1 16 0 1662.05 1726.55 10.84 o 2 16 0 48.56 49.96 2.97 o 3 16 0 581.26 467.45 6.42 o 4 16 0 100.81 116.30 3.81 o 5 16 0 4.42 1.75 2.44 o 6 16 0 2.18 0.94 0.76 o 7 16 0 69.03 60.45 2.86 o 1 17 0 2020.96 2054.31 12.18 o 2 17 0 72.40 64.14 3.17 o 3 17 0 1039.55 936.43 9.11 o 4 17 0 119.67 116.27 4.02 o 5 17 0 7.70 8.05 0.91 o 6 17 0 16.46 11.44 1.04 o 7 17 0 102.06 89.14 3.21 o 0 18 0 3.38 4.08 0.80 o 1 18 0 71.38 60.82 2.96 o 2 18 0 1137.10 1186.31 9.78 o 3 18 0 202.47 174.83 4.57 o 4 18 0 223.16 208.23 4.95 o 5 18 0 51.82 48.73 3.23 o 6 18 0 225.49 206.27 4.89 o 7 18 0 54.45 53.14 2.87 o 1 19 0 59.81 65.37 2.97 o 2 19 0 714.92 658.23 7.62 o 3 19 0 1221.39 1113.50 10.25 o 4 19 0 162.96 154.96 4.45 o 5 19 0 1751.93 1489.08 12.81 o 6 19 0 131.27 110.79 4.06 o 7 19 0 222.12 213.44 4.49 o 0 20 0 1395.11 1331.57 10.04 o 1 20 0 9.07 8.39 0.91 o 2 20 0 2159.62 2134.34 13.62 o 3 20 0 178.00 151.04 4.42 o 4 20 0 7.69 7.74 0.98 o 5 20 0 39.29 33.73 3.37 o 6 20 0 11.52 10.78 1.07 o 7 20 0 10.29 8.79 0.84 o 1 21 0 1240.28 1242.09 10.03 o 2 21 0 961.25 906.22 9.05 o 3 21 0 107.68 83.81 3.64 o 4 21 0 122.21 115.78 4.19 o 5 21 0 307.19 275.81 5.79 o 6 21 0 206.88 179.21 4.78 o 7 21 0 0.80 0.99 1.03 o 0 22 0 4.65 4.56 0.77 o 1 22 0 4.07 1.71 1.85 o 2 22 0 156.31 157.48 4.42 o 3 22 0 297.93 288.61 5.66 o 4 22 0 247.42 260.59 5.64 o 5 22 0 103.99 98.35 3.83 o 6 22 0 454.83 466.92 6.79 o 7 22 0 27.67 30.69 2.36 o 1 23 0 342.57 294.60 5.30 o 2 23 0 1028.31 1050.45 9.72 o 3 23 0 41.06 45.74 3.27 o 4 23 0 170.67 162.45 4.53 o 5 23 0 31.72 31.58 2.81 o 6 23 0 53.70 48.92 2.79 o 0 24 0 383.84 334.56 5.54 o 1 24 0 10.84 11.86 1.12 o 2 24 0 5.39 4.90 0.92 o 3 24 0 198.63 185.64 4.69 o 4 24 0 29.72 31.46 3.01 o 5 24 0 3.26 2.81 0.85 o 6 24 0 39.46 37.49 2.55 o 7 24 0 0.18 1.22 1.47 o 1 25 0 110.86 92.20 3.46 o 2 25 0 79.09 71.29 3.26 o 3 25 0 96.15 84.52 3.64 o 4 25 0 843.17 789.75 9.03 o 5 25 0 9.15 8.34 0.84 o 6 25 0 0.32 0.04 1.91 o 0 26 0 396.64 310.10 5.48 o 1 26 0 4.78 5.90 0.87 o 2 26 0 91.48 100.51 3.64 o 3 26 0 165.86 132.24 3.97 o 4 26 0 41.44 41.73 2.94 o 5 26 0 15.73 13.46 1.20 o 6 26 0 5.80 5.78 0.69 o 1 27 0 11.11 10.71 1.03 o 2 27 0 80.44 83.73 3.46 o 3 27 0 119.86 106.54 3.64 o 4 27 0 1.14 5.95 0.82 o 5 27 0 440.42 449.37 6.32 o 6 27 0 17.96 22.02 1.86 o 0 28 0 599.33 478.97 6.70 o 1 28 0 10.89 11.22 1.11 o 2 28 0 388.39 379.93 6.12 o 3 28 0 138.45 127.71 3.78 o 4 28 0 99.68 87.90 3.30 o 5 28 0 4.18 4.73 0.79 o 6 28 0 30.88 29.32 1.95 o 1 29 0 1027.66 922.45 9.07 o 2 29 0 0.95 -2.30 2.30 o 3 29 0 137.87 126.84 3.82 o 4 29 0 50.08 51.33 2.74 o 5 29 0 49.21 47.88 2.38 o 6 29 0 11.51 7.79 0.69 o 0 30 0 382.96 337.64 5.63 o 1 30 0 29.35 25.89 1.95 o 2 30 0 438.20 379.96 6.02 o 3 30 0 39.73 29.77 2.51 o 4 30 0 25.11 32.34 2.42 o 5 30 0 4.56 4.58 0.64 o 1 31 0 21.06 16.88 1.67 o 2 31 0 114.18 115.10 3.71 o 3 31 0 144.22 155.49 3.81 o 4 31 0 97.03 88.52 2.92 o 5 31 0 118.24 105.04 2.82 o 0 32 0 224.83 206.81 4.46 o 1 32 0 39.58 31.28 2.45 o 2 32 0 206.06 184.94 4.19 o 3 32 0 8.78 7.86 0.74 o 4 32 0 3.43 3.96 0.63 o 5 32 0 3.22 3.01 0.54 o 1 33 0 205.81 190.33 4.02 o 2 33 0 350.81 297.93 4.95 o 3 33 0 55.90 58.32 2.53 o 4 33 0 149.49 125.08 2.92 o 0 34 0 127.41 112.49 3.27 o 1 34 0 3.40 1.38 1.77 o 2 34 0 82.37 75.91 2.72 o 3 34 0 0.07 0.74 1.53 o 4 34 0 12.42 10.91 1.09 o 1 35 0 7.65 10.08 0.99 o 2 35 0 46.18 46.46 2.29 o 3 35 0 0.04 -0.05 1.49 o 0 36 0 58.07 45.83 2.21 o 1 36 0 37.11 37.81 2.15 o 2 36 0 36.06 31.05 2.04 o 3 36 0 58.84 55.42 2.12 o 1 37 0 30.00 24.88 1.86 o 2 37 0 0.80 1.16 1.36 o 0 38 0 140.80 119.44 2.77 o 1 38 0 6.77 6.52 0.62 o 2 38 0 166.32 124.44 2.59 o 1 0 1 5898.31 6368.89 37.83 o 2 0 1 780.96 854.74 4.18 o 3 0 1 39.74 70.85 2.93 o 4 0 1 254.16 253.73 3.67 o 5 0 1 16.86 24.25 2.03 o 6 0 1 135.60 139.67 3.45 o 7 0 1 608.88 664.08 6.99 o 8 0 1 124.03 118.11 2.98 o -8 1 1 17.24 19.41 1.59 o -7 1 1 219.31 221.77 4.12 o -6 1 1 6.83 5.39 0.62 o -5 1 1 1553.18 1608.84 9.29 o -4 1 1 1102.18 1180.71 6.95 o -3 1 1 371.23 434.59 3.61 o -2 1 1 1513.94 1631.81 11.34 o -1 1 1 282.39 280.45 2.06 o 0 1 1 1498.13 1041.27 6.97 o -8 2 1 20.28 21.81 1.83 o -7 2 1 74.50 69.90 2.61 o -6 2 1 81.19 82.04 2.72 o -5 2 1 434.56 396.24 4.63 o -4 2 1 527.10 527.39 4.61 o -3 2 1 935.49 932.63 6.98 o -2 2 1 8066.89 9748.56 64.48 o -1 2 1 92.90 87.87 1.41 o 0 2 1 577.50 400.66 2.33 o -8 3 1 164.81 149.28 3.16 o -7 3 1 51.34 59.52 2.51 o -6 3 1 4.46 5.81 0.68 o -5 3 1 62.68 63.40 2.25 o -4 3 1 214.55 210.03 3.20 o -3 3 1 17.77 31.65 2.60 o -2 3 1 2110.97 2214.21 8.91 o -1 3 1 8869.76 10638.20 59.85 o 0 3 1 42.59 80.53 1.32 o -8 4 1 205.94 200.02 3.56 o -7 4 1 160.45 145.10 3.30 o -6 4 1 1323.79 1303.82 9.10 o -5 4 1 88.37 92.40 2.66 o -4 4 1 1488.33 1397.40 8.32 o -3 4 1 287.95 331.09 5.66 o -2 4 1 1213.69 1234.95 7.40 o -1 4 1 5147.56 5277.60 22.94 o 0 4 1 2567.21 2528.00 13.26 o -8 5 1 123.87 106.53 2.74 o -7 5 1 155.25 148.81 3.39 o -6 5 1 162.79 160.63 3.62 o -5 5 1 455.42 453.81 5.24 o -4 5 1 915.61 968.89 7.52 o -3 5 1 1724.27 2110.92 13.93 o -2 5 1 1536.14 1488.40 9.06 o -1 5 1 7054.72 7065.00 29.80 o 0 5 1 718.28 879.51 4.19 o -8 6 1 29.56 27.83 1.85 o -7 6 1 252.82 225.48 4.08 o -6 6 1 254.65 254.00 4.36 o -5 6 1 386.37 385.39 5.11 o -4 6 1 333.94 339.57 5.02 o -3 6 1 1984.20 2536.40 15.43 o -2 6 1 8836.69 8231.70 25.47 o -1 6 1 1487.94 1409.67 6.82 o 0 6 1 9938.61 10872.99 67.96 o -8 7 1 21.00 13.74 1.10 o -7 7 1 56.07 58.26 2.59 o -6 7 1 23.73 26.95 2.24 o -5 7 1 469.59 449.92 5.74 o -4 7 1 2053.00 2154.03 12.82 o -3 7 1 626.25 692.13 8.40 o -2 7 1 1241.15 1355.17 9.78 o -1 7 1 683.53 659.85 5.07 o 0 7 1 6045.88 6515.55 52.94 o -8 8 1 42.58 35.50 1.81 o -7 8 1 287.55 264.43 4.49 o -6 8 1 1197.32 1120.05 9.34 o -5 8 1 30.76 37.82 2.65 o -4 8 1 104.10 95.00 3.59 o -3 8 1 323.41 354.60 6.39 o -2 8 1 603.51 566.88 6.67 o -1 8 1 2741.95 2513.64 10.91 o 0 8 1 2633.50 2478.71 17.81 o -8 9 1 32.23 29.44 1.75 o -7 9 1 84.70 66.61 2.90 o -6 9 1 7.36 8.25 0.79 o -5 9 1 331.73 319.53 5.43 o -4 9 1 31.08 48.87 3.12 o -3 9 1 414.24 522.03 7.38 o -2 9 1 1061.25 1206.44 9.62 o -1 9 1 2183.88 1805.14 9.71 o 0 9 1 1053.43 998.92 6.23 o -8 10 1 12.05 10.82 0.88 o -7 10 1 34.89 35.11 2.23 o -6 10 1 13.19 11.91 1.07 o -5 10 1 88.21 85.83 3.47 o -4 10 1 449.98 436.76 6.83 o -3 10 1 1421.45 1530.11 12.30 o -2 10 1 1417.65 1732.43 11.63 o -1 10 1 1230.41 1205.08 8.32 o 0 10 1 2406.01 2268.72 10.21 o -8 11 1 16.20 18.81 1.61 o -7 11 1 121.05 108.38 3.31 o -6 11 1 60.19 60.41 3.07 o -5 11 1 264.78 234.75 5.24 o -4 11 1 361.69 393.99 6.70 o -3 11 1 214.98 212.96 5.31 o -2 11 1 85.43 75.30 3.41 o -1 11 1 4634.22 4336.96 17.17 o 0 11 1 170.82 173.05 3.32 o -8 12 1 190.27 184.74 3.48 o -7 12 1 205.20 195.98 4.28 o -6 12 1 287.96 278.00 5.50 o -5 12 1 6.57 5.28 1.06 o -4 12 1 501.54 591.55 8.23 o -3 12 1 556.19 651.11 8.20 o -2 12 1 322.18 403.56 6.08 o -1 12 1 1948.21 1911.78 11.41 o 0 12 1 1097.36 900.80 7.14 o -8 13 1 15.42 14.08 1.24 o -7 13 1 212.00 175.68 4.35 o -6 13 1 34.05 36.52 2.87 o -5 13 1 1005.86 980.39 10.55 o -4 13 1 254.23 238.31 5.77 o -3 13 1 1499.38 1774.88 13.16 o -2 13 1 1175.52 1376.37 10.67 o -1 13 1 1527.54 1782.56 11.13 o 0 13 1 128.67 127.92 3.38 o -8 14 1 36.12 27.03 2.02 o -7 14 1 86.99 68.57 3.07 o -6 14 1 10.91 8.78 0.90 o -5 14 1 29.14 24.73 2.35 o -4 14 1 201.26 206.07 5.54 o -3 14 1 1492.66 1751.24 13.22 o -2 14 1 491.89 558.26 6.97 o -1 14 1 715.13 829.78 7.85 o 0 14 1 1198.59 944.03 7.99 o -7 15 1 13.28 13.02 1.22 o -6 15 1 55.92 61.01 3.37 o -5 15 1 74.53 77.06 4.11 o -4 15 1 564.33 602.68 8.52 o -3 15 1 536.20 592.66 7.91 o -2 15 1 514.39 629.98 7.50 o -1 15 1 3221.92 3690.94 17.04 o 0 15 1 241.01 251.82 4.54 o -7 16 1 53.91 43.32 2.81 o -6 16 1 1006.14 967.94 10.63 o -5 16 1 77.01 65.52 3.86 o -4 16 1 1007.19 1085.32 11.15 o -3 16 1 294.10 355.98 6.39 o -2 16 1 442.69 520.89 6.94 o -1 16 1 512.44 584.36 6.90 o 0 16 1 345.28 318.70 5.10 o -7 17 1 100.84 112.84 3.72 o -6 17 1 4.90 5.47 1.08 o -5 17 1 153.53 163.12 4.96 o -4 17 1 245.61 277.81 6.16 o -3 17 1 986.68 1163.87 10.81 o -2 17 1 287.45 327.61 5.82 o -1 17 1 1632.60 1893.76 12.26 o 0 17 1 389.88 421.65 5.91 o -7 18 1 47.13 49.22 2.81 o -6 18 1 72.29 81.83 3.66 o -5 18 1 163.79 179.59 5.22 o -4 18 1 222.87 246.71 5.76 o -3 18 1 424.71 476.15 7.15 o -2 18 1 392.73 414.70 6.36 o -1 18 1 102.93 122.79 3.86 o 0 18 1 2587.53 2679.58 14.70 o -7 19 1 95.90 98.47 3.48 o -6 19 1 8.13 8.95 1.00 o -5 19 1 53.29 55.94 3.58 o -4 19 1 341.32 377.64 6.86 o -3 19 1 50.81 55.44 3.62 o -2 19 1 548.39 585.61 7.42 o -1 19 1 719.34 811.00 8.28 o 0 19 1 112.01 110.52 3.72 o -7 20 1 106.54 119.71 3.73 o -6 20 1 125.50 137.97 4.41 o -5 20 1 142.72 150.28 4.76 o -4 20 1 1.75 -2.26 2.82 o -3 20 1 457.58 496.12 7.29 o -2 20 1 21.82 31.96 2.98 o -1 20 1 137.48 163.40 4.28 o 0 20 1 95.07 95.04 3.42 o -7 21 1 137.32 150.29 3.69 o 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353.42 6.41 o -6 13 3 130.08 168.21 5.36 o -5 13 3 139.43 121.24 4.87 o -4 13 3 22.05 21.03 1.83 o -3 13 3 145.95 140.09 4.24 o -2 13 3 302.42 244.08 5.02 o -1 13 3 11.01 7.84 0.82 o 0 13 3 175.39 169.82 4.00 o -6 14 3 32.70 46.65 3.63 o -5 14 3 388.87 388.45 7.48 o -4 14 3 313.24 253.52 5.90 o -3 14 3 283.51 217.17 5.36 o -2 14 3 634.97 482.52 6.86 o -1 14 3 66.45 52.90 2.98 o 0 14 3 1238.72 1117.41 9.44 o -6 15 3 24.50 34.30 3.38 o -5 15 3 21.57 29.45 2.46 o -4 15 3 26.27 25.65 2.34 o -3 15 3 346.36 265.73 5.86 o -2 15 3 38.85 26.66 2.18 o -1 15 3 676.41 541.59 7.08 o 0 15 3 3.32 0.09 2.50 o -6 16 3 246.90 348.71 6.62 o -5 16 3 55.15 80.63 4.34 o -4 16 3 388.94 412.49 7.53 o -3 16 3 225.38 184.24 5.27 o -2 16 3 819.93 643.20 8.26 o -1 16 3 373.39 325.55 5.93 o 0 16 3 378.92 290.81 5.44 o -6 17 3 124.10 179.41 4.91 o -5 17 3 350.19 444.39 7.66 o -4 17 3 22.02 27.48 2.38 o -3 17 3 669.47 607.05 8.62 o -2 17 3 3.52 1.41 1.95 o -1 17 3 240.99 189.21 4.88 o 0 17 3 101.25 70.75 3.43 o -6 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46.87 2.40 o -3 3 4 477.57 465.10 5.86 o -2 3 4 8.22 8.42 0.74 o -1 3 4 134.06 139.57 3.38 o 0 3 4 140.38 153.92 3.66 o -6 4 4 2.15 2.13 0.51 o -5 4 4 156.46 165.32 3.60 o -4 4 4 370.93 365.91 5.30 o -3 4 4 32.73 38.72 2.40 o -2 4 4 197.01 183.06 3.91 o -1 4 4 43.30 48.38 2.58 o 0 4 4 206.17 208.62 4.14 o -6 5 4 29.42 28.99 1.71 o -5 5 4 23.78 23.46 1.90 o -4 5 4 35.86 37.67 2.29 o -3 5 4 98.42 83.35 2.98 o -2 5 4 164.08 173.88 3.94 o -1 5 4 108.14 107.46 3.33 o 0 5 4 782.17 873.87 7.86 o -6 6 4 25.73 22.03 1.81 o -5 6 4 34.93 31.68 2.18 o -4 6 4 288.45 251.20 4.55 o -3 6 4 13.79 8.73 0.79 o -2 6 4 861.78 808.39 7.70 o -1 6 4 843.01 860.50 7.85 o 0 6 4 16.25 18.00 1.60 o -6 7 4 21.51 17.88 1.23 o -5 7 4 127.20 108.02 3.13 o -4 7 4 6.66 8.77 0.85 o -3 7 4 193.15 170.49 3.95 o -2 7 4 123.27 136.49 3.72 o -1 7 4 189.42 189.38 4.06 o 0 7 4 286.82 290.72 4.93 o -6 8 4 23.55 21.73 1.86 o -5 8 4 159.67 134.57 3.53 o -4 8 4 268.23 239.45 4.59 o -3 8 4 94.49 93.87 3.27 o -2 8 4 209.29 224.08 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