#------------------------------------------------------------------------------ #$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $ #$Revision: 691 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2103569.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_2103569_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 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 94.180 _cell_angle_gamma 90.000 _cell_length_a 7.7410 _cell_length_b 4.8907 _cell_length_c 10.8159 _exptl_crystal_F_000 192.00 _reflns_d_resolution_high 0.8337 _[local]_cod_data_source_file oa0030glnNH2sup7.hkl _[local]_cod_data_source_block glnNH2 #BEGIN Tags that were not found in dictionaries: _shelx_title ' H-GLN-NH2 C5H12N3O2CL Z=2 P21' _shelx_refln_list_code 4 _shelx_F_calc_maximum 61.99 _shelx_F_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, 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 1 0 0 46.86 44.97 0.26 o 2 0 0 96.76 106.61 0.56 o 3 0 0 89.50 93.70 0.66 o 4 0 0 1019.20 1019.00 2.86 o 5 0 0 265.69 281.45 1.58 o 6 0 0 68.10 79.78 0.97 o 7 0 0 297.57 285.95 1.95 o 8 0 0 9.32 8.65 0.44 o 9 0 0 0.16 -0.05 0.31 o 1 1 0 791.93 799.95 3.27 o 2 1 0 164.68 184.89 0.83 o 3 1 0 337.61 323.26 1.32 o 4 1 0 605.69 597.51 2.18 o 5 1 0 20.85 18.29 0.50 o 6 1 0 173.32 171.57 1.42 o 7 1 0 104.43 106.91 1.20 o 8 1 0 62.89 63.75 0.90 o 9 1 0 42.64 46.65 0.67 o 0 2 0 1908.33 2054.33 4.15 o 1 2 0 230.90 188.93 1.13 o 2 2 0 94.99 88.31 0.74 o 3 2 0 473.88 488.48 1.95 o 4 2 0 358.13 349.36 1.81 o 5 2 0 94.64 85.56 1.00 o 6 2 0 4.78 4.40 0.39 o 7 2 0 92.85 87.25 1.07 o 8 2 0 21.97 22.46 0.56 o 1 3 0 99.62 113.99 1.10 o 2 3 0 64.42 60.29 0.84 o 3 3 0 80.35 76.16 0.93 o 4 3 0 56.64 48.52 0.80 o 5 3 0 35.46 36.33 0.75 o 6 3 0 54.04 51.60 0.85 o 7 3 0 102.05 108.37 1.11 o 0 4 0 172.07 234.59 1.78 o 1 4 0 194.69 196.37 1.70 o 2 4 0 1.74 1.58 0.16 o 3 4 0 197.65 151.53 1.49 o 4 4 0 231.56 191.37 1.61 o 5 4 0 12.12 14.00 0.51 o 6 4 0 4.34 3.32 0.24 o 1 5 0 26.06 29.49 0.71 o 2 5 0 6.60 5.90 0.43 o 3 5 0 3.84 3.02 0.24 o 4 5 0 31.92 26.36 0.54 o -9 0 1 38.37 41.28 0.67 o -8 0 1 24.10 25.59 0.64 o -7 0 1 236.06 240.20 1.77 o -6 0 1 190.84 181.16 1.43 o -5 0 1 68.41 55.05 0.73 o -4 0 1 531.55 527.15 1.93 o -3 0 1 844.21 830.12 2.16 o -2 0 1 1286.91 1333.16 8.68 o -1 0 1 13.72 14.63 0.18 o 0 0 1 99.47 98.39 0.68 o 1 0 1 100.41 83.98 0.42 o 2 0 1 2121.05 2124.64 12.54 o 3 0 1 118.24 110.81 0.74 o 4 0 1 6.05 6.24 0.34 o 5 0 1 15.79 21.25 0.53 o 6 0 1 92.30 94.23 1.05 o 7 0 1 46.52 53.16 0.87 o 8 0 1 92.43 93.55 1.08 o 9 0 1 15.06 16.31 0.46 o -9 1 1 0.39 0.19 0.27 o -8 1 1 26.74 24.34 0.62 o -7 1 1 15.08 15.20 0.55 o -6 1 1 29.62 24.78 0.64 o -5 1 1 204.47 209.49 1.42 o -4 1 1 188.96 178.51 1.14 o -3 1 1 67.91 70.10 0.62 o -2 1 1 360.13 381.67 1.26 o -1 1 1 491.49 531.46 2.74 o 0 1 1 397.86 442.54 33.07 o 1 1 1 3422.94 4173.54 18.91 o 2 1 1 2520.38 2438.52 4.22 o 3 1 1 65.20 72.38 0.65 o 4 1 1 83.45 85.21 0.82 o 5 1 1 162.04 162.66 1.26 o 6 1 1 640.79 631.75 2.87 o 7 1 1 8.99 8.90 0.50 o 8 1 1 44.79 40.36 0.74 o 9 1 1 77.92 75.13 0.82 o -8 2 1 90.20 94.02 1.03 o -7 2 1 179.23 178.74 1.53 o -6 2 1 70.65 70.39 0.97 o -5 2 1 123.26 117.34 1.16 o -4 2 1 206.79 200.03 1.37 o -3 2 1 618.45 606.93 2.25 o -2 2 1 115.75 99.58 0.82 o -1 2 1 587.75 488.78 1.91 o 0 2 1 759.30 838.77 57.67 o 1 2 1 77.79 80.12 0.72 o 2 2 1 120.81 120.37 0.86 o 3 2 1 40.94 37.01 0.58 o 4 2 1 108.64 109.85 1.02 o 5 2 1 97.24 77.59 0.96 o 6 2 1 10.78 8.96 0.46 o 7 2 1 4.91 4.96 0.41 o 8 2 1 25.07 26.30 0.57 o -7 3 1 26.95 24.52 0.59 o -6 3 1 1.47 1.30 0.14 o -5 3 1 5.87 5.68 0.44 o -4 3 1 58.70 54.34 0.85 o -3 3 1 143.19 129.50 1.21 o -2 3 1 137.86 129.12 1.21 o -1 3 1 219.00 193.70 1.46 o 0 3 1 32.64 54.66 4.17 o 1 3 1 345.83 393.12 2.04 o 2 3 1 316.09 271.85 1.67 o 3 3 1 193.17 156.78 1.29 o 4 3 1 40.64 36.84 0.72 o 5 3 1 304.05 293.74 1.95 o 6 3 1 146.44 151.95 1.38 o 7 3 1 7.33 7.93 0.40 o -6 4 1 38.65 42.95 0.71 o -5 4 1 83.80 72.71 0.98 o -4 4 1 9.25 6.81 0.42 o -3 4 1 305.54 270.77 2.02 o -2 4 1 11.24 10.45 0.54 o -1 4 1 156.37 161.32 1.55 o 0 4 1 48.99 52.06 3.61 o 1 4 1 60.18 63.14 0.98 o 2 4 1 18.98 15.77 0.61 o 3 4 1 1.40 1.81 0.18 o 4 4 1 23.76 19.04 0.57 o 5 4 1 34.48 34.57 0.69 o 6 4 1 7.38 6.88 0.36 o -4 5 1 0.43 0.30 0.10 o -3 5 1 11.58 9.56 0.45 o -2 5 1 20.86 15.73 0.54 o -1 5 1 111.32 108.49 1.25 o 0 5 1 64.81 69.40 2.39 o 1 5 1 13.92 15.54 0.60 o 2 5 1 118.36 102.14 1.23 o 3 5 1 82.16 50.26 0.81 o 4 5 1 15.59 10.31 0.39 o -9 0 2 64.36 72.93 0.86 o -8 0 2 70.10 72.92 0.98 o -7 0 2 37.86 38.01 0.78 o -6 0 2 122.83 128.85 1.22 o -5 0 2 11.81 12.62 0.44 o -4 0 2 483.86 508.78 1.93 o -3 0 2 256.67 273.99 1.17 o -2 0 2 24.91 21.78 0.33 o -1 0 2 113.40 102.42 0.53 o 0 0 2 30.32 38.99 0.62 o 1 0 2 48.76 48.28 0.40 o 2 0 2 3713.63 3516.21 19.48 o 3 0 2 47.35 55.68 0.57 o 4 0 2 44.05 36.81 0.59 o 5 0 2 29.28 27.13 0.61 o 6 0 2 151.35 143.36 1.31 o 7 0 2 225.01 216.08 1.68 o 8 0 2 37.85 38.44 0.70 o 9 0 2 28.79 32.92 0.58 o -9 1 2 62.24 65.71 0.79 o -8 1 2 24.79 24.22 0.62 o -7 1 2 20.77 21.29 0.60 o -6 1 2 185.53 190.09 1.52 o -5 1 2 359.66 377.52 1.96 o -4 1 2 306.86 300.60 1.53 o -3 1 2 124.98 119.67 0.84 o -2 1 2 2271.41 2145.09 4.04 o -1 1 2 1449.02 1424.29 5.70 o 0 1 2 209.38 264.75 23.37 o 1 1 2 114.74 118.02 0.71 o 2 1 2 952.84 942.67 2.41 o 3 1 2 755.22 779.71 2.38 o 4 1 2 94.82 86.79 0.86 o 5 1 2 82.56 79.16 0.93 o 6 1 2 86.93 93.17 1.08 o 7 1 2 9.60 7.89 0.46 o 8 1 2 17.16 16.18 0.52 o -8 2 2 63.22 66.06 0.87 o -7 2 2 27.82 31.00 0.71 o -6 2 2 74.47 67.09 0.97 o -5 2 2 57.37 55.47 0.85 o -4 2 2 47.48 44.92 0.70 o -3 2 2 126.34 129.85 1.04 o -2 2 2 26.47 25.84 0.50 o -1 2 2 13.14 13.15 0.41 o 0 2 2 237.39 307.12 36.16 o 1 2 2 57.81 88.33 0.82 o 2 2 2 41.75 48.80 0.62 o 3 2 2 298.58 308.40 1.61 o 4 2 2 76.89 75.69 0.89 o 5 2 2 160.92 159.95 1.37 o 6 2 2 48.69 47.11 0.81 o 7 2 2 196.45 186.49 1.53 o 8 2 2 44.21 45.14 0.69 o -7 3 2 0.10 0.29 0.12 o -6 3 2 214.96 200.17 1.66 o -5 3 2 223.50 222.88 1.75 o -4 3 2 67.62 60.88 0.92 o -3 3 2 8.69 6.76 0.46 o -2 3 2 375.76 338.62 2.00 o -1 3 2 698.03 623.14 2.77 o 0 3 2 14.75 21.93 2.56 o 1 3 2 306.39 407.50 1.96 o 2 3 2 172.33 147.81 1.21 o 3 3 2 213.96 224.96 1.57 o 4 3 2 12.71 13.91 0.52 o 5 3 2 79.41 71.58 0.99 o 6 3 2 38.61 36.19 0.71 o 7 3 2 3.04 4.26 0.38 o -6 4 2 2.50 2.66 0.23 o -5 4 2 123.57 117.20 1.24 o -4 4 2 12.00 11.29 0.50 o -3 4 2 127.96 105.08 1.27 o -2 4 2 145.11 122.68 1.36 o -1 4 2 23.79 19.29 0.66 o 0 4 2 20.75 17.72 1.49 o 1 4 2 70.15 77.10 1.04 o 2 4 2 24.91 23.84 0.68 o 3 4 2 87.09 68.91 0.94 o 4 4 2 1.95 1.82 0.17 o 5 4 2 139.46 125.90 1.20 o 6 4 2 24.86 24.91 0.53 o -4 5 2 32.15 29.42 0.59 o -3 5 2 17.96 14.23 0.47 o -2 5 2 152.34 128.06 1.31 o -1 5 2 111.31 100.87 1.20 o 0 5 2 6.61 8.49 1.08 o 1 5 2 171.36 223.58 1.69 o 2 5 2 132.39 128.89 1.36 o 3 5 2 18.74 9.32 0.41 o -9 0 3 0.78 0.61 0.11 o -8 0 3 21.17 21.11 0.59 o -7 0 3 121.84 120.61 1.28 o -6 0 3 81.89 80.52 1.01 o -5 0 3 88.93 101.11 1.00 o -4 0 3 41.82 34.23 0.57 o -3 0 3 679.66 679.08 2.10 o -2 0 3 26.60 25.59 0.38 o -1 0 3 528.69 552.24 2.99 o 0 0 3 3842.53 3741.31 33.28 o 1 0 3 13.15 5.07 0.27 o 2 0 3 130.76 135.09 0.83 o 3 0 3 9.66 12.59 0.39 o 4 0 3 2259.63 2087.29 5.16 o 5 0 3 119.81 130.08 1.18 o 6 0 3 7.30 6.57 0.46 o 7 0 3 99.12 99.43 1.15 o 8 0 3 15.30 16.61 0.49 o -9 1 3 135.61 145.73 1.14 o -8 1 3 105.10 112.04 1.18 o -7 1 3 39.12 40.49 0.80 o -6 1 3 228.60 209.93 1.64 o -5 1 3 293.82 301.05 1.79 o -4 1 3 86.68 82.45 0.85 o -3 1 3 791.01 805.71 2.50 o -2 1 3 1566.45 1567.88 3.52 o -1 1 3 295.07 278.10 1.21 o 0 1 3 104.26 113.56 6.83 o 1 1 3 116.72 134.82 0.85 o 2 1 3 516.65 597.35 1.97 o 3 1 3 127.44 117.96 0.94 o 4 1 3 317.89 338.36 1.78 o 5 1 3 17.98 16.77 0.56 o 6 1 3 3.67 3.82 0.31 o 7 1 3 14.46 13.68 0.53 o 8 1 3 151.83 142.13 1.24 o -8 2 3 5.77 5.80 0.38 o -7 2 3 34.36 30.23 0.69 o -6 2 3 17.65 18.15 0.61 o -5 2 3 0.90 0.99 0.14 o -4 2 3 165.16 163.15 1.32 o -3 2 3 439.84 464.12 2.10 o -2 2 3 106.16 107.88 0.95 o -1 2 3 10.95 8.60 0.39 o 0 2 3 598.04 700.69 103.39 o 1 2 3 774.16 967.34 3.07 o 2 2 3 156.05 177.69 1.21 o 3 2 3 93.35 72.42 0.85 o 4 2 3 414.81 416.17 2.17 o 5 2 3 160.19 160.89 1.42 o 6 2 3 26.05 22.84 0.61 o 7 2 3 81.43 78.45 0.97 o 8 2 3 31.94 34.40 0.60 o -7 3 3 41.01 48.37 0.77 o -6 3 3 33.55 33.37 0.72 o -5 3 3 116.78 120.39 1.30 o -4 3 3 168.74 163.00 1.48 o -3 3 3 174.83 167.33 1.46 o -2 3 3 250.87 211.65 1.60 o -1 3 3 58.15 58.67 0.85 o 0 3 3 43.66 50.79 8.74 o 1 3 3 83.67 113.48 1.12 o 2 3 3 36.01 38.18 0.72 o 3 3 3 17.56 14.06 0.55 o 4 3 3 89.24 89.19 1.08 o 5 3 3 7.89 9.47 0.47 o 6 3 3 7.79 8.03 0.44 o 7 3 3 58.01 52.04 0.73 o -6 4 3 4.73 5.04 0.36 o -5 4 3 7.40 6.58 0.43 o -4 4 3 126.91 121.21 1.31 o -3 4 3 30.19 26.51 0.73 o -2 4 3 16.90 17.72 0.61 o -1 4 3 121.41 110.40 1.29 o 0 4 3 256.03 310.86 45.65 o 1 4 3 138.81 194.32 1.55 o 2 4 3 38.88 36.72 0.77 o 3 4 3 204.87 186.91 1.58 o 4 4 3 115.90 115.78 1.21 o 5 4 3 38.03 43.29 0.72 o -3 5 3 2.74 2.51 0.23 o -2 5 3 90.25 87.58 1.04 o -1 5 3 15.87 15.42 0.54 o 0 5 3 41.26 43.31 1.33 o 1 5 3 11.01 12.72 0.52 o 2 5 3 1.47 1.69 0.17 o 3 5 3 14.75 12.63 0.40 o -9 0 4 0.49 0.44 0.10 o -8 0 4 3.09 3.08 0.27 o -7 0 4 617.92 597.90 2.99 o -6 0 4 10.96 13.51 0.53 o -5 0 4 138.23 127.87 1.18 o -4 0 4 283.08 289.43 1.58 o -3 0 4 910.43 932.30 2.75 o -2 0 4 190.66 187.26 1.02 o -1 0 4 402.76 402.57 1.49 o 0 0 4 3295.33 2804.75 32.83 o 1 0 4 964.37 847.15 2.47 o 2 0 4 189.63 207.44 1.16 o 3 0 4 7.82 11.01 0.41 o 4 0 4 157.16 144.52 1.20 o 5 0 4 0.68 1.15 0.14 o 6 0 4 0.77 0.76 0.14 o 7 0 4 23.22 18.00 0.58 o 8 0 4 3.30 4.27 0.34 o -8 1 4 1.74 2.67 0.26 o -7 1 4 66.96 69.55 1.00 o -6 1 4 15.21 17.99 0.60 o -5 1 4 27.27 29.41 0.65 o -4 1 4 246.94 255.27 1.56 o -3 1 4 13.99 14.32 0.43 o -2 1 4 9.46 11.25 0.37 o -1 1 4 1108.25 1100.95 2.96 o 0 1 4 189.08 206.83 10.52 o 1 1 4 244.57 302.81 1.43 o 2 1 4 89.09 90.12 0.84 o 3 1 4 223.09 226.80 1.40 o 4 1 4 66.25 52.73 0.78 o 5 1 4 171.96 166.61 1.43 o 6 1 4 325.95 307.70 2.04 o 7 1 4 17.19 18.00 0.55 o 8 1 4 70.34 71.76 0.86 o -8 2 4 62.80 71.36 0.86 o -7 2 4 150.28 152.93 1.43 o -6 2 4 41.13 51.08 0.87 o -5 2 4 54.17 50.55 0.85 o -4 2 4 274.08 255.68 1.73 o -3 2 4 513.89 511.23 2.35 o -2 2 4 272.26 260.02 1.56 o -1 2 4 304.50 284.14 1.58 o 0 2 4 652.95 722.17 79.81 o 1 2 4 158.59 184.42 1.33 o 2 2 4 66.24 75.19 0.89 o 3 2 4 247.39 270.85 1.69 o 4 2 4 249.69 260.54 1.77 o 5 2 4 50.80 42.03 0.81 o 6 2 4 2.92 3.23 0.28 o 7 2 4 11.64 8.47 0.43 o 8 2 4 6.99 7.72 0.34 o -7 3 4 44.60 44.63 0.72 o -6 3 4 22.47 19.48 0.58 o -5 3 4 21.06 22.91 0.66 o -4 3 4 50.23 44.33 0.83 o -3 3 4 5.32 5.05 0.46 o -2 3 4 18.16 19.69 0.61 o -1 3 4 88.93 80.14 1.02 o 0 3 4 49.70 60.04 8.88 o 1 3 4 130.46 175.24 1.49 o 2 3 4 121.50 134.51 1.35 o 3 3 4 80.91 82.43 1.07 o 4 3 4 92.10 87.69 1.11 o 5 3 4 106.79 115.66 1.24 o 6 3 4 51.76 51.38 0.81 o -6 4 4 83.12 81.07 0.86 o -5 4 4 1.18 1.11 0.13 o -4 4 4 45.68 42.91 0.81 o -3 4 4 471.38 427.96 2.54 o -2 4 4 61.90 56.75 0.94 o -1 4 4 152.07 144.43 1.47 o 0 4 4 11.65 12.80 1.54 o 1 4 4 213.27 247.62 1.81 o 2 4 4 23.94 31.94 0.82 o 3 4 4 6.88 7.56 0.46 o 4 4 4 111.77 115.44 1.20 o 5 4 4 4.26 5.07 0.36 o -3 5 4 20.52 23.16 0.54 o -2 5 4 12.70 13.27 0.47 o -1 5 4 10.20 10.90 0.47 o 0 5 4 23.01 24.64 2.12 o 1 5 4 39.03 32.96 0.64 o 2 5 4 18.40 16.87 0.49 o 3 5 4 59.94 64.31 0.78 o -8 0 5 52.07 48.62 0.79 o -7 0 5 26.90 28.28 0.70 o -6 0 5 105.66 113.79 1.25 o -5 0 5 109.97 102.69 1.11 o -4 0 5 219.43 233.34 1.51 o -3 0 5 24.83 31.64 0.57 o -2 0 5 165.39 168.07 1.09 o -1 0 5 59.04 54.06 0.63 o 0 0 5 174.30 154.35 0.72 o 1 0 5 239.20 250.36 1.35 o 2 0 5 84.64 90.55 0.88 o 3 0 5 17.14 17.58 0.51 o 4 0 5 0.46 -0.24 0.38 o 5 0 5 14.21 9.09 0.48 o 6 0 5 191.85 182.26 1.58 o 7 0 5 37.90 36.37 0.74 o 8 0 5 9.25 8.98 0.39 o -8 1 5 5.11 6.68 0.40 o -7 1 5 12.22 13.61 0.53 o -6 1 5 179.13 176.50 1.57 o -5 1 5 148.79 153.61 1.40 o -4 1 5 80.98 81.85 0.95 o -3 1 5 123.83 119.68 1.05 o -2 1 5 405.65 382.85 1.79 o -1 1 5 1010.34 1030.26 3.08 o 0 1 5 174.45 188.86 8.79 o 1 1 5 324.27 374.50 1.78 o 2 1 5 733.89 716.36 2.72 o 3 1 5 302.56 296.30 1.75 o 4 1 5 72.69 75.72 0.97 o 5 1 5 21.96 26.09 0.68 o 6 1 5 126.70 117.39 1.27 o 7 1 5 13.81 16.14 0.53 o 8 1 5 13.27 11.89 0.42 o -8 2 5 65.62 61.19 0.79 o -7 2 5 59.24 62.18 0.91 o -6 2 5 141.02 143.69 1.42 o -5 2 5 26.71 21.50 0.64 o -4 2 5 66.10 67.29 0.96 o -3 2 5 218.68 217.29 1.57 o -2 2 5 95.70 91.97 0.99 o -1 2 5 5.49 6.72 0.43 o 0 2 5 73.89 71.43 5.93 o 1 2 5 181.57 208.47 1.50 o 2 2 5 119.81 140.05 1.27 o 3 2 5 54.02 60.96 0.91 o 4 2 5 15.16 14.62 0.57 o 5 2 5 47.44 38.93 0.79 o 6 2 5 52.47 49.15 0.84 o 7 2 5 47.34 45.05 0.71 o -7 3 5 10.55 13.44 0.44 o -6 3 5 58.38 57.19 0.89 o -5 3 5 33.18 32.91 0.74 o -4 3 5 42.32 44.58 0.84 o -3 3 5 4.35 4.35 0.31 o -2 3 5 604.59 550.59 2.80 o -1 3 5 346.83 349.76 2.14 o 0 3 5 73.23 75.12 9.28 o 1 3 5 29.56 44.99 0.86 o 2 3 5 157.49 210.10 1.75 o 3 3 5 304.18 338.26 2.21 o 4 3 5 20.51 17.02 0.58 o 5 3 5 134.16 132.91 1.32 o 6 3 5 34.39 34.88 0.65 o -6 4 5 58.93 59.08 0.70 o -5 4 5 40.77 39.37 0.69 o -4 4 5 32.42 29.14 0.67 o -3 4 5 42.86 44.92 0.84 o -2 4 5 33.65 34.75 0.75 o -1 4 5 105.66 107.24 1.26 o 0 4 5 43.44 50.27 2.25 o 1 4 5 49.65 58.48 0.96 o 2 4 5 57.95 93.51 1.25 o 3 4 5 5.90 7.07 0.48 o 4 4 5 16.12 16.52 0.54 o 5 4 5 71.02 75.48 0.85 o -2 5 5 79.11 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