#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrd n TRP 2 N 0.00 -1.97 -1.71 2.03 7.02 -1.26 0.89 117.44 122.44 1xrd n TRP 2 Ca 0.00 0.81 -0.19 0.00 -1.02 0.00 0.00 57.50 57.11 1xrd n TRP 2 Cb 0.00 -2.41 -0.07 0.00 -2.42 0.00 0.00 31.31 26.41 1xrd n TRP 2 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1xrd n ARG 3 N -2.16 -1.49 -1.07 -0.99 5.12 -1.26 -1.25 116.66 113.57 1xrd n ARG 3 Ca -0.27 1.08 -0.02 0.00 -1.93 0.00 0.00 57.85 56.70 1xrd n ARG 3 Cb 0.65 -5.48 -0.01 0.00 -1.16 0.00 0.00 32.46 26.46 1xrd n ARG 3 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1xrd n ILE 4 N -2.55 0.00 0.00 0.55 -0.00 0.26 -0.94 119.36 116.68 1xrd n ILE 4 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 1xrd n ILE 4 Cb 0.63 -1.06 0.00 0.00 -0.00 0.00 0.00 39.64 39.21 1xrd n ILE 4 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.55 178.42 1xrd n TRP 5 N -2.10 0.00 0.00 1.39 -0.00 -0.38 -4.33 117.44 112.02 1xrd n TRP 5 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 1xrd n TRP 5 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.80 1xrd n TRP 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1xrd n GLN 6 N -2.00 0.00 -0.96 5.87 10.64 -0.59 -4.99 117.38 125.35 1xrd n GLN 6 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1xrd n GLN 6 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1xrd n GLN 6 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1xrd n LEU 7 N -0.10 0.45 -2.06 2.61 4.32 -0.12 -2.69 117.00 119.41 1xrd n LEU 7 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.81 1xrd n LEU 7 Cb 0.00 -1.26 -0.00 0.00 -1.62 0.00 0.00 43.42 40.53 1xrd n LEU 7 CO 0.00 -0.41 -0.19 0.49 -1.22 0.00 0.00 177.39 176.06 1xrd n PHE 8 N -2.44 -0.94 -2.75 -1.77 3.72 -1.26 -4.16 117.46 107.86 1xrd n PHE 8 Ca 0.00 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1xrd n PHE 8 Cb 0.18 -3.54 0.00 0.00 -0.94 0.00 0.00 39.48 35.18 1xrd n PHE 8 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1xrd n ASP 9 N -1.39 -6.04 0.03 4.37 8.00 -1.10 -4.28 116.55 116.14 1xrd n ASP 9 Ca -0.19 0.54 -0.11 0.00 0.71 0.00 0.00 54.79 55.74 1xrd n ASP 9 Cb 0.65 -1.34 -0.04 0.00 -0.02 0.00 0.00 41.12 40.37 1xrd n ASP 9 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1xrd h PRO 10 N 3.81 -0.35 -0.85 -0.24 0.13 -1.86 0.35 132.00 132.99 1xrd h PRO 10 Ca 0.00 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.20 1xrd h PRO 10 Cb 0.51 0.08 -0.06 0.00 0.13 0.00 0.00 31.00 31.66 1xrd h PRO 10 CO 0.00 -0.23 0.54 -0.09 -0.23 0.00 0.00 178.00 177.98 1xrd h ARG 11 N -0.36 0.97 -0.81 0.86 2.43 -1.97 -1.37 114.38 114.13 1xrd h ARG 11 Ca 0.08 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1xrd h ARG 11 Cb 0.48 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1xrd h ARG 11 CO -0.28 0.64 0.51 0.37 -1.51 0.00 0.00 179.97 179.71 1xrd h GLN 12 N 1.00 1.09 -0.31 0.20 5.75 -1.65 0.84 115.11 122.02 1xrd h GLN 12 Ca 0.36 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.74 1xrd h GLN 12 Cb 0.11 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 1xrd h GLN 12 CO -0.15 0.74 0.07 0.00 -2.65 0.00 0.00 178.83 176.84 1xrd h ALA 13 N 1.28 0.41 -0.41 3.38 0.00 -0.07 0.13 119.26 123.98 1xrd h ALA 13 Ca 0.29 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1xrd h ALA 13 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xrd h ALA 13 CO -0.06 0.08 -0.34 1.37 0.00 0.00 0.00 179.25 180.31 1xrd h LEU 14 N 0.34 0.99 -1.02 0.00 8.10 -1.06 -1.63 115.31 121.03 1xrd h LEU 14 Ca 0.10 -0.43 -0.09 0.00 0.11 0.00 0.00 57.88 57.57 1xrd h LEU 14 Cb 0.31 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.24 1xrd h LEU 14 CO 0.00 1.22 -0.41 0.58 -4.11 0.00 0.00 178.44 175.73 1xrd h VAL 15 N 0.78 1.03 0.12 0.15 2.07 -0.77 -1.27 116.25 118.36 1xrd h VAL 15 Ca 0.07 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1xrd h VAL 15 Cb 0.92 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1xrd h VAL 15 CO 0.09 0.40 -0.06 1.23 0.02 0.00 0.00 177.57 179.25 1xrd h GLY 16 N 1.79 -0.17 0.90 2.17 0.00 -0.51 -1.68 103.07 105.58 1xrd h GLY 16 Ca -0.00 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1xrd h GLY 16 CO 0.05 -0.06 0.00 0.17 0.00 0.00 0.00 176.54 176.70 1xrd h LEU 17 N -0.88 0.00 -0.10 3.11 8.10 -1.34 0.47 115.31 124.66 1xrd h LEU 17 Ca -0.02 -0.10 0.02 0.00 0.11 0.00 0.00 57.88 57.90 1xrd h LEU 17 Cb 0.54 -0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.74 1xrd h LEU 17 CO 0.03 0.10 -0.05 0.00 -4.11 0.00 0.00 178.44 174.41 1xrd h ALA 18 N 0.90 0.04 -0.04 0.17 0.00 -1.36 -1.54 119.26 117.43 1xrd h ALA 18 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1xrd h ALA 18 Cb 0.10 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xrd h ALA 18 CO -0.00 -0.51 -0.35 1.15 0.00 0.00 0.00 179.25 179.54 1xrd h THR 19 N -0.04 1.27 0.89 0.00 2.02 -1.21 -1.41 112.91 114.42 1xrd h THR 19 Ca 0.06 -1.28 -0.04 0.00 0.77 0.00 0.00 66.41 65.91 1xrd h THR 19 Cb 0.13 1.63 0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1xrd h THR 19 CO -0.13 0.37 -0.43 0.15 0.37 0.00 0.00 175.52 175.85 1xrd h PHE 20 N 0.08 -1.11 -0.55 3.16 3.04 0.76 0.59 116.94 122.90 1xrd h PHE 20 Ca 0.01 -0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.86 1xrd h PHE 20 Cb 0.67 0.37 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 1xrd h PHE 20 CO 0.00 -0.69 0.07 1.37 -2.02 0.00 0.00 178.31 177.05 1xrd h LEU 21 N -1.22 0.89 0.06 0.59 -0.00 -1.34 -1.21 115.31 113.08 1xrd h LEU 21 Ca -0.12 -0.27 0.02 0.00 -0.00 0.00 0.00 57.88 57.51 1xrd h LEU 21 Cb 0.92 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 41.31 1xrd h LEU 21 CO 0.20 0.94 -0.21 -0.26 -0.00 0.00 0.00 178.44 179.10 1xrd h PHE 22 N 0.81 -0.56 -0.03 0.17 0.04 -1.24 0.81 116.94 116.94 1xrd h PHE 22 Ca 0.17 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 1xrd h PHE 22 Cb 0.43 0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.83 1xrd h PHE 22 CO 0.03 -0.30 0.00 -0.39 -0.60 0.00 0.00 178.31 177.05 1xrd h VAL 23 N -0.37 1.23 0.43 -0.55 -1.51 -0.84 -1.39 116.25 113.25 1xrd h VAL 23 Ca 0.04 -0.70 -0.01 0.00 -1.23 0.00 0.00 66.70 64.81 1xrd h VAL 23 Cb 0.42 1.65 -0.03 0.00 -2.13 0.00 0.00 31.29 31.21 1xrd h VAL 23 CO -0.16 0.19 -0.46 0.25 -1.23 0.00 0.00 177.57 176.16 1xrd h LEU 24 N -0.24 -1.27 -0.26 4.19 7.12 -1.12 0.12 115.31 123.86 1xrd h LEU 24 Ca 0.01 0.11 0.02 0.00 0.13 0.00 0.00 57.88 58.14 1xrd h LEU 24 Cb 0.30 0.43 -0.02 0.00 -0.53 0.00 0.00 40.66 40.83 1xrd h LEU 24 CO 0.00 -0.61 0.13 0.00 -0.13 0.00 0.00 178.44 177.83 1xrd h ALA 25 N -0.64 0.31 -0.61 1.25 0.00 -0.90 -1.65 119.26 117.00 1xrd h ALA 25 Ca -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xrd h ALA 25 Cb 0.80 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1xrd h ALA 25 CO -0.08 -0.27 0.27 1.37 0.00 0.00 0.00 179.25 180.54 1xrd h LEU 26 N 0.27 0.83 0.56 0.00 8.10 -1.15 0.11 115.31 124.02 1xrd h LEU 26 Ca 0.10 -0.15 -0.03 0.00 0.11 0.00 0.00 57.88 57.92 1xrd h LEU 26 Cb 0.03 -0.21 0.01 0.00 -0.44 0.00 0.00 40.66 40.04 1xrd h LEU 26 CO -0.07 0.75 -0.27 -0.07 -4.11 0.00 0.00 178.44 174.67 1xrd h LEU 27 N 0.85 -0.64 0.46 0.17 -0.00 -0.55 0.29 115.31 115.89 1xrd h LEU 27 Ca 0.21 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.08 1xrd h LEU 27 Cb 0.16 0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1xrd h LEU 27 CO -0.02 -0.44 -0.22 0.40 -0.00 0.00 0.00 178.44 178.16 1xrd h ILE 28 N -0.77 0.54 -0.95 1.22 2.04 -1.26 -1.62 117.51 116.70 1xrd h ILE 28 Ca -0.08 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.75 1xrd h ILE 28 Cb 0.58 0.62 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 1xrd h ILE 28 CO 0.13 0.03 0.61 0.45 0.00 0.00 0.00 178.15 179.36 1xrd h HIS 29 N -0.70 1.02 -0.22 1.37 3.86 -0.81 0.60 115.15 120.27 1xrd h HIS 29 Ca -0.06 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 1xrd h HIS 29 Cb 0.52 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1xrd h HIS 29 CO -0.02 0.42 -0.11 0.35 0.86 0.00 0.00 177.93 179.43 1xrd h PHE 30 N 0.90 0.37 -0.10 2.45 3.04 -0.17 0.12 116.94 123.55 1xrd h PHE 30 Ca 0.46 -0.05 -0.07 0.00 3.98 0.00 0.00 57.97 62.29 1xrd h PHE 30 Cb 0.51 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.92 1xrd h PHE 30 CO -0.00 0.46 -0.22 0.97 -2.02 0.00 0.00 178.31 177.50 1xrd h ILE 31 N 0.34 1.39 0.34 1.41 2.10 0.08 0.42 117.51 123.59 1xrd h ILE 31 Ca 0.07 -1.52 -0.02 0.00 1.08 0.00 0.00 64.86 64.47 1xrd h ILE 31 Cb 0.40 2.13 0.00 0.00 -1.09 0.00 0.00 36.82 38.27 1xrd h ILE 31 CO 0.02 0.44 -0.16 -0.07 -1.08 0.00 0.00 178.15 177.30 1xrd h LEU 32 N -0.12 -0.38 -1.00 2.19 3.38 -1.14 -0.07 115.31 118.17 1xrd h LEU 32 Ca 0.00 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.91 1xrd h LEU 32 Cb 0.82 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1xrd h LEU 32 CO 0.05 -0.07 0.64 0.25 0.09 0.00 0.00 178.44 179.40 1xrd h LEU 33 N -0.72 1.01 -0.02 1.67 6.46 -0.87 0.34 115.31 123.18 1xrd h LEU 33 Ca -0.05 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1xrd h LEU 33 Cb 0.49 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1xrd h LEU 33 CO 0.08 0.63 0.01 -1.28 -0.62 0.00 0.00 178.44 177.25 1xrd h SER 34 N 1.14 0.02 -0.39 1.25 0.87 -0.78 0.85 113.55 116.52 1xrd h SER 34 Ca 0.44 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1xrd h SER 34 Cb 0.22 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1xrd h SER 34 CO -0.19 0.13 0.25 0.74 -0.53 0.00 0.00 176.83 177.23 1xrd h THR 35 N -0.08 1.11 -0.51 2.23 2.02 -0.34 0.13 112.91 117.45 1xrd h THR 35 Ca 0.01 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1xrd h THR 35 Cb 0.11 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1xrd h THR 35 CO -0.00 0.10 0.21 -0.08 0.37 0.00 0.00 175.52 176.12 1xrd h GLU 36 N 0.52 0.76 -0.67 6.66 4.81 -0.85 -1.57 114.58 124.25 1xrd h GLU 36 Ca 0.14 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1xrd h GLU 36 Cb -0.05 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1xrd h GLU 36 CO -0.03 0.67 0.12 0.00 -0.73 0.00 0.00 179.01 179.05 1xrd h ARG 37 N 0.69 1.10 0.45 1.92 3.08 -0.55 0.23 114.38 121.30 1xrd h ARG 37 Ca 0.17 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1xrd h ARG 37 Cb 0.19 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1xrd h ARG 37 CO -0.01 1.00 -0.22 0.74 -1.07 0.00 0.00 179.97 180.41 1xrd h PHE 38 N 1.03 -0.56 0.00 3.04 -1.00 -0.49 -1.65 116.94 117.31 1xrd h PHE 38 Ca 0.21 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.97 1xrd h PHE 38 Cb 0.42 0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.17 1xrd h PHE 38 CO 0.03 -0.35 0.03 -0.91 -1.61 0.00 0.00 178.31 175.50 1xrd h ASN 39 N -0.63 0.00 0.00 2.17 4.21 -1.34 0.42 115.58 120.41 1xrd h ASN 39 Ca -0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 1xrd h ASN 39 Cb 0.46 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.66 1xrd h ASN 39 CO 0.10 0.00 0.00 0.79 -1.29 0.00 0.00 177.43 177.03 1xrd n TRP 40 N -2.97 0.00 0.26 1.19 7.02 0.07 -1.82 117.44 121.19 1xrd n TRP 40 Ca -0.03 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.59 1xrd n TRP 40 Cb 0.09 -0.43 0.65 0.00 -2.42 0.00 0.00 31.31 29.20 1xrd n TRP 40 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1xrd h LEU 41 N 0.00 0.00 0.09 -0.99 5.85 -1.15 -3.08 115.31 116.04 1xrd h LEU 41 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xrd h LEU 41 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1xrd h LEU 41 CO 0.00 0.00 -0.04 -0.08 -0.34 0.00 0.00 178.44 177.98 1xrd h GLU 42 N 0.00 -0.12 0.00 1.25 4.81 -0.06 -3.49 114.58 116.97 1xrd h GLU 42 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1xrd h GLU 42 Cb 0.14 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1xrd h GLU 42 CO 0.00 -0.08 0.00 0.41 -0.73 0.00 0.00 179.01 178.61 1xrd n GLY 43 N -0.62 -1.62 1.27 1.92 0.00 -0.76 -4.72 105.19 100.66 1xrd n GLY 43 Ca -0.02 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1xrd n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrd n ALA 44 N -3.26 0.00 -2.44 4.61 0.00 -1.13 -3.04 120.51 115.25 1xrd n ALA 44 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1xrd n ALA 44 Cb 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 19.45 19.23 1xrd n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xrd n SER 45 N 0.91 -3.71 0.00 0.00 2.88 -1.26 -4.81 113.62 107.63 1xrd n SER 45 Ca 0.00 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1xrd n SER 45 Cb 0.00 -2.77 0.00 0.00 -0.75 0.00 0.00 64.21 60.69 1xrd n SER 45 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1xrd n THR 46 N -3.94 0.00 0.07 2.46 -2.24 -1.25 -4.98 114.28 104.39 1xrd n THR 46 Ca -0.09 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1xrd n THR 46 Cb 0.58 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.79 1xrd n THR 46 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xrd h LYS 47 N 0.00 -0.24 -6.20 -0.78 3.64 -1.85 -3.43 116.57 107.71 1xrd h LYS 47 Ca 0.00 0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 58.85 1xrd h LYS 47 Cb 0.00 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1xrd h LYS 47 CO 0.00 -0.16 1.27 -1.25 -2.27 0.00 0.00 179.45 177.04 1xrd s PRO 48 N -2.35 3.09 -0.22 1.90 0.04 -1.26 -4.78 135.00 131.43 1xrd s PRO 48 Ca -0.04 1.01 0.20 0.00 0.04 0.00 0.00 61.00 62.21 1xrd s PRO 48 Cb 0.00 -4.24 0.45 0.00 0.04 0.00 0.00 34.50 30.75 1xrd s PRO 48 CO 0.11 -2.16 1.20 1.55 0.04 0.00 0.00 177.00 177.75 1xrd n VAL 49 N 7.27 0.72 -3.38 -0.36 3.14 -1.26 -4.94 118.33 119.53 1xrd n VAL 49 Ca 0.21 -2.03 -0.31 0.00 -2.96 0.00 0.00 64.34 59.24 1xrd n VAL 49 Cb 0.49 1.15 0.03 0.00 -1.06 0.00 0.00 33.84 34.45 1xrd n VAL 49 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1xrd n GLN 50 N -0.57 -2.00 0.00 1.45 0.00 -1.26 -4.91 117.38 110.09 1xrd n GLN 50 Ca -0.00 1.54 0.00 0.00 -0.00 0.00 0.00 57.00 58.54 1xrd n GLN 50 Cb 0.87 -2.89 0.00 0.00 0.00 0.00 0.00 30.24 28.21 1xrd n GLN 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1xrd n THR 51 N -0.37 0.00 -1.48 1.69 -1.04 -1.26 -5.29 114.28 106.53 1xrd n THR 51 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1xrd n THR 51 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 1xrd n THR 51 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19