#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 0.00 0.52 1.12 8.01 -1.26 -1.59 117.44 124.24 1xrd n TRP 2 Ca 0.00 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.26 1xrd n TRP 2 Cb 0.00 0.00 0.30 0.00 -2.01 0.00 0.00 31.31 29.60 1xrd n TRP 2 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.69 179.57 1xrd n ARG 3 N 0.00 0.06 0.24 -0.99 0.00 -1.26 -1.87 116.66 112.83 1xrd n ARG 3 Ca 0.00 0.24 0.12 0.00 -0.00 0.00 0.00 57.85 58.21 1xrd n ARG 3 Cb 0.00 -1.50 0.47 0.00 -0.00 0.00 0.00 32.46 31.43 1xrd n ARG 3 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 1xrd h ILE 4 N 0.00 0.29 0.00 8.89 3.07 -1.72 -2.18 117.51 125.85 1xrd h ILE 4 Ca 0.00 -0.95 0.00 0.00 1.55 0.00 0.00 64.86 65.46 1xrd h ILE 4 Cb 0.20 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 1xrd h ILE 4 CO 0.00 0.12 0.00 0.79 -1.05 0.00 0.00 178.15 178.01 1xrd n TRP 5 N -3.23 0.50 -0.70 0.16 7.02 -0.78 -4.91 117.44 115.51 1xrd n TRP 5 Ca 0.01 0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.70 1xrd n TRP 5 Cb 0.42 -0.83 0.00 0.00 -2.42 0.00 0.00 31.31 28.48 1xrd n TRP 5 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1xrd n GLN 6 N -1.96 0.00 0.00 -0.99 7.27 -0.82 -5.07 117.38 115.80 1xrd n GLN 6 Ca 0.02 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.32 1xrd n GLN 6 Cb 0.18 -0.53 0.00 0.00 2.41 0.00 0.00 30.24 32.30 1xrd n GLN 6 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1xrd n LEU 7 N -0.06 0.00 -1.53 1.69 -0.00 -1.25 -4.95 117.00 110.89 1xrd n LEU 7 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.03 1xrd n LEU 7 Cb 0.00 0.09 0.07 0.00 -0.00 0.00 0.00 43.42 43.58 1xrd n LEU 7 CO 0.00 -0.12 0.13 0.49 -0.00 0.00 0.00 177.39 177.89 1xrd n PHE 8 N -1.74 0.41 -1.40 1.47 3.72 -1.26 -4.95 117.46 113.70 1xrd n PHE 8 Ca 0.00 -1.14 -0.30 0.00 -0.05 0.00 0.00 57.45 55.96 1xrd n PHE 8 Cb 0.00 -0.20 0.09 0.00 -0.94 0.00 0.00 39.48 38.43 1xrd n PHE 8 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1xrd s ASP 9 N -2.71 4.50 0.24 4.37 1.47 -1.26 -4.78 116.67 118.50 1xrd s ASP 9 Ca 0.35 1.57 -0.07 0.00 1.18 0.00 0.00 52.55 55.58 1xrd s ASP 9 Cb 0.38 -2.32 0.42 0.00 -0.34 0.00 0.00 42.92 41.06 1xrd s ASP 9 CO -0.11 -2.00 1.66 -0.65 0.68 0.00 0.00 175.17 174.76 1xrd h PRO 10 N -1.10 0.17 -0.21 2.11 0.11 -1.99 -1.30 132.00 129.79 1xrd h PRO 10 Ca -0.46 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.69 1xrd h PRO 10 Cb 1.25 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1xrd h PRO 10 CO 0.55 0.12 -0.11 0.07 -0.21 0.00 0.00 178.00 178.42 1xrd h ARG 11 N 0.18 -0.09 -0.97 1.05 -0.00 -1.99 0.81 114.38 113.36 1xrd h ARG 11 Ca 0.40 0.01 0.02 0.00 -0.00 0.00 0.00 59.98 60.41 1xrd h ARG 11 Cb 0.68 0.02 -0.05 0.00 -0.00 0.00 0.00 29.97 30.62 1xrd h ARG 11 CO -0.56 -0.06 0.64 0.37 -0.00 0.00 0.00 179.97 180.36 1xrd h GLN 12 N -0.09 1.23 -0.67 0.08 -0.00 -1.65 -1.36 115.11 112.65 1xrd h GLN 12 Ca 0.11 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.61 1xrd h GLN 12 Cb 0.27 -0.28 -0.03 0.00 0.00 0.00 0.00 27.48 27.44 1xrd h GLN 12 CO -0.27 0.82 0.11 0.00 0.00 0.00 0.00 178.83 179.49 1xrd h ALA 13 N 1.41 0.89 -0.40 3.38 0.00 -0.33 -0.91 119.26 123.29 1xrd h ALA 13 Ca 0.37 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1xrd h ALA 13 Cb -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1xrd h ALA 13 CO -0.10 0.65 0.01 -0.07 0.00 0.00 0.00 179.25 179.74 1xrd h LEU 14 N 1.03 0.68 -1.50 0.00 3.38 -0.28 -1.92 115.31 116.70 1xrd h LEU 14 Ca 0.20 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1xrd h LEU 14 Cb 0.43 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xrd h LEU 14 CO 0.01 0.82 -0.09 -0.37 0.09 0.00 0.00 178.44 178.89 1xrd h VAL 15 N 0.53 0.27 0.00 1.22 -1.51 -1.14 -1.51 116.25 114.11 1xrd h VAL 15 Ca 0.12 -0.69 -0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1xrd h VAL 15 Cb 0.46 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1xrd h VAL 15 CO 0.02 0.09 -0.00 1.23 -1.23 0.00 0.00 177.57 177.68 1xrd h GLY 16 N 1.76 -0.01 0.81 5.19 0.00 -0.63 -1.26 103.07 108.94 1xrd h GLY 16 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1xrd h GLY 16 CO 0.01 -0.00 -0.23 1.41 0.00 0.00 0.00 176.54 177.73 1xrd h LEU 17 N -0.73 -0.53 -1.18 3.11 3.38 -1.30 -1.48 115.31 116.59 1xrd h LEU 17 Ca -0.00 -0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.04 1xrd h LEU 17 Cb 0.71 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1xrd h LEU 17 CO 0.00 -0.24 0.60 0.00 0.09 0.00 0.00 178.44 178.88 1xrd h ALA 18 N -0.40 1.72 -0.38 1.53 0.00 -1.41 -1.15 119.26 119.17 1xrd h ALA 18 Ca -0.06 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1xrd h ALA 18 Cb 0.57 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xrd h ALA 18 CO 0.11 0.03 -0.11 1.15 0.00 0.00 0.00 179.25 180.43 1xrd h THR 19 N 0.80 1.28 0.18 0.00 2.02 -1.08 0.13 112.91 116.24 1xrd h THR 19 Ca 0.47 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1xrd h THR 19 Cb 0.65 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1xrd h THR 19 CO -0.23 0.40 -0.09 0.15 0.37 0.00 0.00 175.52 176.12 1xrd h PHE 20 N 0.54 -0.22 -0.14 3.16 3.04 -0.16 0.11 116.94 123.27 1xrd h PHE 20 Ca 0.09 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 1xrd h PHE 20 Cb 0.63 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.21 1xrd h PHE 20 CO 0.05 -0.11 -0.00 1.37 -2.02 0.00 0.00 178.31 177.60 1xrd h LEU 21 N -0.28 0.24 -0.33 0.59 8.10 -1.28 -1.70 115.31 120.65 1xrd h LEU 21 Ca -0.02 -0.31 0.05 0.00 0.11 0.00 0.00 57.88 57.70 1xrd h LEU 21 Cb 0.22 -0.07 -0.05 0.00 -0.44 0.00 0.00 40.66 40.33 1xrd h LEU 21 CO 0.04 0.50 0.04 0.15 -4.11 0.00 0.00 178.44 175.06 1xrd h PHE 22 N -0.02 0.07 -0.07 0.17 3.57 -0.67 0.97 116.94 120.96 1xrd h PHE 22 Ca 0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1xrd h PHE 22 Cb 0.38 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1xrd h PHE 22 CO 0.04 -0.01 0.01 -0.39 -2.23 0.00 0.00 178.31 175.73 1xrd h VAL 23 N 0.15 1.21 -0.54 1.41 -1.51 -0.77 -0.98 116.25 115.22 1xrd h VAL 23 Ca 0.15 -0.66 0.02 0.00 -1.23 0.00 0.00 66.70 64.98 1xrd h VAL 23 Cb 0.18 1.53 -0.03 0.00 -2.13 0.00 0.00 31.29 30.84 1xrd h VAL 23 CO -0.22 0.18 0.34 0.25 -1.23 0.00 0.00 177.57 176.89 1xrd h LEU 24 N -0.13 0.56 0.65 4.19 6.46 -1.14 0.39 115.31 126.29 1xrd h LEU 24 Ca 0.02 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1xrd h LEU 24 Cb 0.28 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1xrd h LEU 24 CO 0.00 0.40 -0.31 0.00 -0.62 0.00 0.00 178.44 177.91 1xrd h ALA 25 N 1.23 -0.88 0.00 1.25 0.00 -0.75 -1.63 119.26 118.48 1xrd h ALA 25 Ca 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xrd h ALA 25 Cb -0.02 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xrd h ALA 25 CO -0.08 -0.96 -0.12 1.37 0.00 0.00 0.00 179.25 179.46 1xrd h LEU 26 N -0.94 0.00 0.81 0.00 8.10 -1.07 -0.29 115.31 121.91 1xrd h LEU 26 Ca -0.09 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.86 1xrd h LEU 26 Cb 0.69 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.92 1xrd h LEU 26 CO 0.15 0.12 -0.39 -0.07 -4.11 0.00 0.00 178.44 174.14 1xrd h LEU 27 N 0.00 -0.92 -0.42 0.17 4.07 0.08 0.31 115.31 118.61 1xrd h LEU 27 Ca -0.00 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1xrd h LEU 27 Cb 0.24 0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 1xrd h LEU 27 CO 0.02 -0.57 0.19 0.40 -1.08 0.00 0.00 178.44 177.39 1xrd h ILE 28 N -1.25 1.19 -0.74 1.22 2.04 -1.19 -1.60 117.51 117.18 1xrd h ILE 28 Ca -0.11 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1xrd h ILE 28 Cb 0.83 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1xrd h ILE 28 CO 0.18 0.21 0.48 0.45 0.00 0.00 0.00 178.15 179.47 1xrd h HIS 29 N 0.53 0.94 -0.60 1.37 3.86 -1.09 -0.96 115.15 119.21 1xrd h HIS 29 Ca 0.14 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.30 1xrd h HIS 29 Cb 0.15 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 1xrd h HIS 29 CO -0.01 0.60 0.11 0.35 0.86 0.00 0.00 177.93 179.84 1xrd h PHE 30 N 1.01 1.01 -0.08 2.45 3.04 -0.12 0.13 116.94 124.39 1xrd h PHE 30 Ca 0.27 -0.12 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 1xrd h PHE 30 Cb -0.10 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.13 1xrd h PHE 30 CO -0.02 0.86 -0.10 0.97 -2.02 0.00 0.00 178.31 178.00 1xrd h ILE 31 N 0.91 1.38 0.11 1.41 -0.00 -0.87 0.55 117.51 121.01 1xrd h ILE 31 Ca 0.19 -1.31 -0.01 0.00 -0.00 0.00 0.00 64.86 63.73 1xrd h ILE 31 Cb 0.39 2.08 0.00 0.00 -0.00 0.00 0.00 36.82 39.28 1xrd h ILE 31 CO 0.01 0.37 -0.05 0.17 -0.00 0.00 0.00 178.15 178.64 1xrd h LEU 32 N -0.25 -0.13 -1.00 2.19 8.10 -1.13 0.30 115.31 123.39 1xrd h LEU 32 Ca 0.01 -0.22 0.02 0.00 0.11 0.00 0.00 57.88 57.80 1xrd h LEU 32 Cb 0.64 0.03 -0.05 0.00 -0.44 0.00 0.00 40.66 40.83 1xrd h LEU 32 CO 0.02 0.15 0.66 0.25 -4.11 0.00 0.00 178.44 175.41 1xrd h LEU 33 N -0.41 1.13 -0.00 0.17 6.46 -0.82 -0.32 115.31 121.51 1xrd h LEU 33 Ca -0.02 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1xrd h LEU 33 Cb 0.34 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1xrd h LEU 33 CO 0.03 0.80 0.00 -1.28 -0.62 0.00 0.00 178.44 177.36 1xrd h SER 34 N 1.32 0.00 -0.60 1.25 0.87 -0.72 0.36 113.55 116.03 1xrd h SER 34 Ca 0.38 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.88 1xrd h SER 34 Cb -0.09 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 1xrd h SER 34 CO -0.10 0.08 0.39 0.74 -0.53 0.00 0.00 176.83 177.40 1xrd h THR 35 N -0.07 1.12 -0.03 2.23 2.02 -0.46 0.32 112.91 118.03 1xrd h THR 35 Ca 0.00 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1xrd h THR 35 Cb 0.08 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1xrd h THR 35 CO -0.00 0.14 0.02 -0.08 0.37 0.00 0.00 175.52 175.97 1xrd h GLU 36 N 0.77 0.05 -0.16 6.66 4.81 -0.89 -1.62 114.58 124.20 1xrd h GLU 36 Ca 0.23 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1xrd h GLU 36 Cb -0.04 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1xrd h GLU 36 CO -0.07 0.16 -0.16 -0.09 -0.73 0.00 0.00 179.01 178.13 1xrd h ARG 37 N -0.08 0.26 0.55 1.92 2.43 -0.70 -1.53 114.38 117.23 1xrd h ARG 37 Ca 0.01 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1xrd h ARG 37 Cb 0.13 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1xrd h ARG 37 CO -0.00 0.42 -0.26 0.74 -1.51 0.00 0.00 179.97 179.36 1xrd h PHE 38 N 0.25 -0.68 -0.02 2.20 0.04 -0.01 -1.52 116.94 117.19 1xrd h PHE 38 Ca 0.05 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.81 1xrd h PHE 38 Cb 0.43 0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.80 1xrd h PHE 38 CO 0.01 -0.42 0.07 -0.91 -0.60 0.00 0.00 178.31 176.45 1xrd h ASN 39 N -0.80 0.00 0.00 2.17 2.35 -1.29 0.66 115.58 118.67 1xrd h ASN 39 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1xrd h ASN 39 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1xrd h ASN 39 CO 0.12 0.00 0.00 1.87 -1.65 0.00 0.00 177.43 177.77 1xrd n TRP 40 N -3.29 0.00 0.25 1.19 -0.00 -0.58 -1.92 117.44 113.09 1xrd n TRP 40 Ca -0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.60 1xrd n TRP 40 Cb 0.15 -0.48 0.62 0.00 -0.00 0.00 0.00 31.31 31.60 1xrd n TRP 40 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1xrd h LEU 41 N 0.00 0.00 0.08 5.87 3.38 -1.08 1.12 115.31 124.68 1xrd h LEU 41 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xrd h LEU 41 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xrd h LEU 41 CO 0.00 0.00 -0.04 -0.08 0.09 0.00 0.00 178.44 178.41 1xrd h GLU 42 N 0.00 -0.10 0.00 1.13 4.57 0.48 -3.44 114.58 117.22 1xrd h GLU 42 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1xrd h GLU 42 Cb 0.12 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1xrd h GLU 42 CO 0.00 0.11 0.00 0.41 -1.18 0.00 0.00 179.01 178.35 1xrd n GLY 43 N -0.61 0.04 0.18 1.92 0.00 -0.81 -4.92 105.19 101.00 1xrd n GLY 43 Ca -0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1xrd n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrd h ALA 44 N 0.00 0.46 0.00 4.61 0.00 -1.09 0.44 119.26 123.68 1xrd h ALA 44 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1xrd h ALA 44 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xrd h ALA 44 CO 0.00 0.11 -0.35 1.03 0.00 0.00 0.00 179.25 180.04 1xrd h SER 45 N 0.42 0.00 0.99 0.00 0.87 0.11 0.32 113.55 116.26 1xrd h SER 45 Ca 0.11 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 1xrd h SER 45 Cb 0.27 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1xrd h SER 45 CO -0.00 0.35 -1.08 0.71 -0.53 0.00 0.00 176.83 176.28 1xrd h THR 46 N 0.00 0.56 -0.20 2.23 1.35 -1.52 -3.43 112.91 111.90 1xrd h THR 46 Ca -0.00 -1.96 -0.19 0.00 -0.55 0.00 0.00 66.41 63.70 1xrd h THR 46 Cb 0.88 2.11 -0.14 0.00 -1.73 0.00 0.00 68.15 69.26 1xrd h THR 46 CO 0.05 0.32 -0.45 0.29 -0.25 0.00 0.00 175.52 175.47 1xrd n LYS 47 N -2.98 0.68 -0.03 4.72 5.02 0.15 -4.47 118.16 121.26 1xrd n LYS 47 Ca -0.05 -1.70 -0.16 0.00 -2.02 0.00 0.00 58.31 54.38 1xrd n LYS 47 Cb 0.78 -1.36 -0.09 0.00 -0.02 0.00 0.00 35.03 34.34 1xrd n LYS 47 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1xrd h PRO 48 N 4.14 0.45 -3.17 1.97 0.13 -0.51 -3.42 132.00 131.60 1xrd h PRO 48 Ca -0.11 -0.36 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 1xrd h PRO 48 Cb 1.06 0.07 -0.29 0.00 0.13 0.00 0.00 31.00 31.97 1xrd h PRO 48 CO 0.22 1.00 -0.52 0.08 -0.23 0.00 0.00 178.00 178.55 1xrd s VAL 49 N -3.68 -0.03 -1.58 1.56 1.01 -1.26 -4.88 120.40 111.54 1xrd s VAL 49 Ca -0.13 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 1xrd s VAL 49 Cb 0.05 -0.31 0.16 0.00 0.00 0.00 0.00 36.38 36.28 1xrd s VAL 49 CO 0.81 0.04 0.65 0.00 0.00 0.00 0.00 175.10 176.60 1xrd n GLN 50 N 3.81 -2.59 -3.61 2.72 6.02 -1.26 -0.92 117.38 121.55 1xrd n GLN 50 Ca -0.21 0.31 -0.24 0.00 -0.01 0.00 0.00 57.00 56.85 1xrd n GLN 50 Cb 0.54 -4.99 0.04 0.00 1.02 0.00 0.00 30.24 26.86 1xrd n GLN 50 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1xrd n THR 51 N -4.12 -5.86 1.48 5.09 -2.24 -1.26 -5.13 114.28 102.24 1xrd n THR 51 Ca 0.07 -0.84 0.14 0.00 -2.27 0.00 0.00 64.05 61.15 1xrd n THR 51 Cb 0.49 -4.49 0.51 0.00 -2.10 0.00 0.00 70.33 64.73 1xrd n THR 51 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26