#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 -1.74 -1.96 3.17 -0.00 -1.26 0.11 117.44 115.76 1xrd n TRP 2 Ca 0.00 0.50 -0.13 0.00 -0.00 0.00 0.00 57.50 57.86 1xrd n TRP 2 Cb 0.00 -2.75 -0.03 0.00 -0.00 0.00 0.00 31.31 28.53 1xrd n TRP 2 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1xrd n ARG 3 N -3.69 -1.77 -2.54 5.87 5.12 -1.26 -1.50 116.66 116.89 1xrd n ARG 3 Ca -0.24 0.71 -0.05 0.00 -1.93 0.00 0.00 57.85 56.34 1xrd n ARG 3 Cb 0.64 -5.16 -0.00 0.00 -1.16 0.00 0.00 32.46 26.78 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 -2.75 -0.22 -3.68 0.55 2.08 0.31 -1.69 119.36 113.96 1xrd n ILE 4 Ca -0.15 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 62.96 1xrd n ILE 4 Cb 0.54 -0.64 -0.05 0.00 -0.75 0.00 0.00 39.64 38.73 1xrd n ILE 4 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1xrd n TRP 5 N -2.86 -0.80 0.00 1.39 7.02 -0.57 -4.35 117.44 117.28 1xrd n TRP 5 Ca -0.05 0.34 0.00 0.00 -1.02 0.00 0.00 57.50 56.77 1xrd n TRP 5 Cb 0.54 -1.75 0.00 0.00 -2.42 0.00 0.00 31.31 27.68 1xrd n TRP 5 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xrd n GLN 6 N -3.29 0.00 -0.07 -0.99 10.64 -0.75 -4.87 117.38 118.05 1xrd n GLN 6 Ca -0.19 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.84 1xrd n GLN 6 Cb 0.43 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.69 1xrd n GLN 6 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1xrd h LEU 7 N 0.00 0.00 0.00 2.61 3.38 -1.52 -3.41 115.31 116.37 1xrd h LEU 7 Ca 0.00 -0.88 -0.32 0.00 0.09 0.00 0.00 57.88 56.77 1xrd h LEU 7 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1xrd h LEU 7 CO 0.00 1.04 -2.22 0.33 0.09 0.00 0.00 178.44 177.68 1xrd n PHE 8 N -4.59 0.00 -1.60 1.13 7.35 -1.24 -5.07 117.46 113.43 1xrd n PHE 8 Ca -0.12 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.56 1xrd n PHE 8 Cb 0.48 -0.83 0.00 0.00 0.35 0.00 0.00 39.48 39.49 1xrd n PHE 8 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1xrd n ASP 9 N -3.09 -2.38 -0.26 -2.13 -0.08 -1.26 -4.82 116.55 102.52 1xrd n ASP 9 Ca -0.37 -0.01 0.03 0.00 -1.51 0.00 0.00 54.79 52.93 1xrd n ASP 9 Cb 0.91 -1.25 0.25 0.00 2.34 0.00 0.00 41.12 43.37 1xrd n ASP 9 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xrd h PRO 10 N 0.02 0.98 0.19 -0.67 0.11 -1.91 -1.83 132.00 128.90 1xrd h PRO 10 Ca -0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1xrd h PRO 10 Cb 1.00 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1xrd h PRO 10 CO 0.02 0.65 -0.20 0.07 -0.21 0.00 0.00 178.00 178.33 1xrd h ARG 11 N 1.01 -0.38 -0.54 1.05 0.11 -1.96 0.37 114.38 114.06 1xrd h ARG 11 Ca 0.34 0.03 0.03 0.00 0.10 0.00 0.00 59.98 60.48 1xrd h ARG 11 Cb 0.08 0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.21 1xrd h ARG 11 CO -0.11 -0.25 0.32 -0.56 0.10 0.00 0.00 179.97 179.47 1xrd h GLN 12 N -0.39 0.60 -0.59 0.08 -0.00 -1.94 -1.61 115.11 111.27 1xrd h GLN 12 Ca -0.02 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 1xrd h GLN 12 Cb 0.34 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.48 27.65 1xrd h GLN 12 CO -0.03 0.40 0.34 0.00 -0.00 0.00 0.00 178.83 179.54 1xrd h ALA 13 N 1.25 1.49 -0.20 0.06 0.00 -1.25 0.09 119.26 120.70 1xrd h ALA 13 Ca 0.22 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1xrd h ALA 13 Cb 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1xrd h ALA 13 CO -0.11 0.43 -0.56 1.37 0.00 0.00 0.00 179.25 180.38 1xrd h LEU 14 N 0.81 0.85 -1.14 0.00 8.10 0.32 -1.85 115.31 122.39 1xrd h LEU 14 Ca 0.21 -0.58 -0.07 0.00 0.11 0.00 0.00 57.88 57.55 1xrd h LEU 14 Cb -0.01 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 39.96 1xrd h LEU 14 CO -0.04 1.28 -0.34 1.62 -4.11 0.00 0.00 178.44 176.85 1xrd h VAL 15 N 0.46 0.90 0.13 0.15 3.04 -0.99 -0.51 116.25 119.42 1xrd h VAL 15 Ca -0.01 -1.33 -0.01 0.00 -1.01 0.00 0.00 66.70 64.34 1xrd h VAL 15 Cb 1.18 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1xrd h VAL 15 CO 0.12 0.33 -0.06 1.23 -1.01 0.00 0.00 177.57 178.18 1xrd h GLY 16 N 1.71 -0.18 0.86 3.17 0.00 -0.88 -1.68 103.07 106.08 1xrd h GLY 16 Ca -0.00 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1xrd h GLY 16 CO 0.04 -0.07 0.03 0.17 0.00 0.00 0.00 176.54 176.72 1xrd h LEU 17 N -0.91 0.09 -0.28 3.11 8.10 -1.36 0.56 115.31 124.61 1xrd h LEU 17 Ca -0.02 -0.16 0.01 0.00 0.11 0.00 0.00 57.88 57.82 1xrd h LEU 17 Cb 0.51 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 40.69 1xrd h LEU 17 CO 0.03 0.22 0.17 0.00 -4.11 0.00 0.00 178.44 174.76 1xrd h ALA 18 N 0.87 0.36 0.04 0.17 0.00 -1.22 0.11 119.26 119.59 1xrd h ALA 18 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xrd h ALA 18 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xrd h ALA 18 CO -0.00 -0.20 -0.02 1.15 0.00 0.00 0.00 179.25 180.18 1xrd h THR 19 N 0.36 1.19 -0.56 0.00 2.02 -1.25 0.94 112.91 115.61 1xrd h THR 19 Ca 0.11 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.55 1xrd h THR 19 Cb -0.02 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1xrd h THR 19 CO -0.04 0.19 0.37 0.15 0.37 0.00 0.00 175.52 176.56 1xrd h PHE 20 N -0.39 0.69 0.31 3.16 3.57 -0.83 0.50 116.94 123.96 1xrd h PHE 20 Ca -0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1xrd h PHE 20 Cb 0.35 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1xrd h PHE 20 CO 0.04 0.44 -0.15 1.25 -2.23 0.00 0.00 178.31 177.65 1xrd h LEU 21 N 0.75 -0.36 -0.43 0.59 7.12 -0.78 -1.52 115.31 120.68 1xrd h LEU 21 Ca 0.21 -0.17 0.08 0.00 0.13 0.00 0.00 57.88 58.12 1xrd h LEU 21 Cb -0.08 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.08 1xrd h LEU 21 CO -0.05 0.02 0.05 0.15 -0.13 0.00 0.00 178.44 178.48 1xrd h PHE 22 N -0.78 0.07 -0.05 1.25 3.57 -0.73 0.59 116.94 120.85 1xrd h PHE 22 Ca -0.04 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1xrd h PHE 22 Cb 0.51 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1xrd h PHE 22 CO 0.03 -0.04 0.02 -0.39 -2.23 0.00 0.00 178.31 175.69 1xrd h VAL 23 N 0.17 1.17 0.65 1.41 -1.51 -0.94 0.17 116.25 117.37 1xrd h VAL 23 Ca 0.21 -0.51 -0.03 0.00 -1.23 0.00 0.00 66.70 65.14 1xrd h VAL 23 Cb 0.29 1.42 -0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1xrd h VAL 23 CO -0.31 0.14 -0.40 0.25 -1.23 0.00 0.00 177.57 176.02 1xrd h LEU 24 N -0.11 -1.00 -0.06 4.19 7.12 -0.98 0.21 115.31 124.68 1xrd h LEU 24 Ca 0.02 0.06 0.02 0.00 0.13 0.00 0.00 57.88 58.10 1xrd h LEU 24 Cb 0.21 0.29 -0.02 0.00 -0.53 0.00 0.00 40.66 40.62 1xrd h LEU 24 CO -0.00 -0.62 -0.05 0.00 -0.13 0.00 0.00 178.44 177.64 1xrd h ALA 25 N -0.73 -0.00 -0.66 1.25 0.00 -0.93 -1.63 119.26 116.56 1xrd h ALA 25 Ca -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xrd h ALA 25 Cb 0.80 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1xrd h ALA 25 CO 0.08 -0.53 0.32 1.37 0.00 0.00 0.00 179.25 180.50 1xrd h LEU 26 N -0.06 0.83 0.66 0.00 8.10 -0.92 0.13 115.31 124.05 1xrd h LEU 26 Ca 0.04 -0.08 -0.03 0.00 0.11 0.00 0.00 57.88 57.92 1xrd h LEU 26 Cb 0.12 -0.21 0.01 0.00 -0.44 0.00 0.00 40.66 40.13 1xrd h LEU 26 CO -0.09 0.70 -0.32 -0.07 -4.11 0.00 0.00 178.44 174.55 1xrd h LEU 27 N 0.93 -0.75 -1.77 0.17 4.07 -0.13 -1.52 115.31 116.30 1xrd h LEU 27 Ca 0.23 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 58.18 1xrd h LEU 27 Cb 0.08 0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 1xrd h LEU 27 CO -0.03 -0.54 -0.15 0.40 -1.08 0.00 0.00 178.44 177.04 1xrd h ILE 28 N -0.89 0.98 0.43 1.22 1.08 -1.17 -1.49 117.51 117.67 1xrd h ILE 28 Ca -0.09 -0.53 -0.02 0.00 -0.39 0.00 0.00 64.86 63.83 1xrd h ILE 28 Cb 0.68 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 1xrd h ILE 28 CO 0.15 0.14 -0.21 -0.74 -0.69 0.00 0.00 178.15 176.81 1xrd h HIS 29 N 0.00 -0.54 -0.14 1.37 2.76 -0.53 0.62 115.15 118.69 1xrd h HIS 29 Ca -0.00 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1xrd h HIS 29 Cb 0.28 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1xrd h HIS 29 CO 0.00 -0.33 -0.04 0.27 -1.30 0.00 0.00 177.93 176.53 1xrd h PHE 30 N -0.65 0.20 0.09 5.26 -0.00 -1.27 0.61 116.94 121.18 1xrd h PHE 30 Ca -0.06 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.97 57.90 1xrd h PHE 30 Cb 0.44 -0.06 0.00 0.00 -0.00 0.00 0.00 35.95 36.33 1xrd h PHE 30 CO 0.10 0.25 -0.04 0.97 -0.00 0.00 0.00 178.31 179.58 1xrd h ILE 31 N 0.20 1.15 -0.63 0.88 6.09 -1.26 1.00 117.51 124.93 1xrd h ILE 31 Ca 0.05 -1.02 -0.06 0.00 -1.37 0.00 0.00 64.86 62.46 1xrd h ILE 31 Cb 0.20 1.79 -0.03 0.00 0.47 0.00 0.00 36.82 39.25 1xrd h ILE 31 CO 0.01 0.24 0.18 0.17 -3.07 0.00 0.00 178.15 175.68 1xrd h LEU 32 N -0.60 0.94 0.91 2.19 8.10 -0.71 0.65 115.31 126.80 1xrd h LEU 32 Ca -0.01 -0.22 -0.04 0.00 0.11 0.00 0.00 57.88 57.71 1xrd h LEU 32 Cb 0.49 -0.25 0.01 0.00 -0.44 0.00 0.00 40.66 40.47 1xrd h LEU 32 CO 0.02 0.92 -0.44 -0.07 -4.11 0.00 0.00 178.44 174.76 1xrd h LEU 33 N 0.92 -1.03 -2.19 0.17 3.38 -0.90 0.47 115.31 116.13 1xrd h LEU 33 Ca 0.20 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1xrd h LEU 33 Cb 0.32 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1xrd h LEU 33 CO -0.00 -0.73 0.00 -1.28 0.09 0.00 0.00 178.44 176.52 1xrd h SER 34 N -1.24 0.00 0.19 -0.43 0.87 -0.72 -1.02 113.55 111.21 1xrd h SER 34 Ca -0.12 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1xrd h SER 34 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1xrd h SER 34 CO 0.21 0.00 -0.09 0.74 -0.53 0.00 0.00 176.83 177.15 1xrd h THR 35 N 0.00 0.91 -0.42 2.23 2.02 0.95 0.32 112.91 118.92 1xrd h THR 35 Ca 0.00 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 1xrd h THR 35 Cb 0.00 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1xrd h THR 35 CO -0.00 0.14 0.20 -0.08 0.37 0.00 0.00 175.52 176.14 1xrd h GLU 36 N -0.56 0.60 -0.44 6.66 4.81 -0.43 -1.70 114.58 123.51 1xrd h GLU 36 Ca -0.03 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1xrd h GLU 36 Cb 0.42 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1xrd h GLU 36 CO 0.04 0.52 0.01 0.00 -0.73 0.00 0.00 179.01 178.86 1xrd h ARG 37 N 0.53 0.71 0.35 1.92 2.47 -1.20 -0.23 114.38 118.93 1xrd h ARG 37 Ca 0.14 -0.18 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1xrd h ARG 37 Cb 0.12 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1xrd h ARG 37 CO -0.02 0.72 -0.17 0.74 0.56 0.00 0.00 179.97 181.81 1xrd h PHE 38 N 0.67 -0.43 0.00 3.04 -1.00 0.08 -1.80 116.94 117.50 1xrd h PHE 38 Ca 0.14 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1xrd h PHE 38 Cb 0.40 0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1xrd h PHE 38 CO 0.02 -0.27 0.01 -0.91 -1.61 0.00 0.00 178.31 175.55 1xrd h ASN 39 N -0.49 0.00 0.00 2.17 2.35 -1.35 0.31 115.58 118.58 1xrd h ASN 39 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1xrd h ASN 39 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1xrd h ASN 39 CO 0.08 0.00 0.00 1.87 -1.65 0.00 0.00 177.43 177.73 1xrd n TRP 40 N -2.88 0.00 0.24 1.19 -0.00 -0.10 -1.86 117.44 114.03 1xrd n TRP 40 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.60 1xrd n TRP 40 Cb 0.07 -0.25 0.60 0.00 -0.00 0.00 0.00 31.31 31.73 1xrd n TRP 40 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 177.69 179.06 1xrd h LEU 41 N 0.00 0.00 0.58 5.87 -0.00 -1.27 -2.87 115.31 117.61 1xrd h LEU 41 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1xrd h LEU 41 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1xrd h LEU 41 CO 0.00 0.00 -0.28 -0.08 -0.00 0.00 0.00 178.44 178.08 1xrd h GLU 42 N 0.00 -0.75 -0.83 0.17 4.81 -0.34 -3.49 114.58 114.16 1xrd h GLU 42 Ca 0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1xrd h GLU 42 Cb 0.12 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1xrd h GLU 42 CO 0.00 -0.50 0.00 0.41 -0.73 0.00 0.00 179.01 178.19 1xrd n GLY 43 N -0.95 0.67 0.12 1.92 0.00 -0.78 -4.80 105.19 101.37 1xrd n GLY 43 Ca -0.10 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 0.22 -0.04 4.61 0.00 -1.88 0.82 119.26 122.98 1xrd h ALA 44 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1xrd h ALA 44 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xrd h ALA 44 CO 0.00 -0.06 -0.61 1.03 0.00 0.00 0.00 179.25 179.61 1xrd h SER 45 N 0.03 0.17 0.00 0.00 0.87 -1.95 -3.38 113.55 109.29 1xrd h SER 45 Ca 0.04 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1xrd h SER 45 Cb 0.40 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1xrd h SER 45 CO 0.01 0.74 0.00 0.35 -0.53 0.00 0.00 176.83 177.40 1xrd n THR 46 N -3.85 0.00 -0.61 2.23 -2.24 -1.17 -5.11 114.28 103.53 1xrd n THR 46 Ca -0.02 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1xrd n THR 46 Cb 0.62 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1xrd n THR 46 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xrd n LYS 47 N -1.67 -1.65 -2.26 -0.78 4.81 0.28 -4.83 118.16 112.07 1xrd n LYS 47 Ca 0.00 1.26 -0.42 0.00 -0.87 0.00 0.00 58.31 58.28 1xrd n LYS 47 Cb 0.00 -1.52 -0.03 0.00 0.02 0.00 0.00 35.03 33.50 1xrd n LYS 47 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1xrd s PRO 48 N -4.73 4.37 0.00 1.64 0.04 -1.26 -4.43 135.00 130.62 1xrd s PRO 48 Ca 0.00 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1xrd s PRO 48 Cb 0.00 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1xrd s PRO 48 CO 0.00 -0.35 0.00 0.28 0.04 0.00 0.00 177.00 176.97 1xrd n VAL 49 N 3.77 0.00 -0.30 -0.36 0.31 -1.26 -4.87 118.33 115.61 1xrd n VAL 49 Ca 0.10 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.44 1xrd n VAL 49 Cb 0.44 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.36 1xrd n VAL 49 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1xrd n GLN 50 N 0.00 -0.76 -0.02 5.55 7.27 -1.26 -4.91 117.38 123.24 1xrd n GLN 50 Ca 0.00 0.60 -0.00 0.00 0.07 0.00 0.00 57.00 57.67 1xrd n GLN 50 Cb 0.00 -0.79 -0.00 0.00 2.41 0.00 0.00 30.24 31.86 1xrd n GLN 50 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1xrd h THR 51 N -0.09 0.00 -0.02 1.69 2.02 -1.98 -3.54 112.91 111.00 1xrd h THR 51 Ca -0.02 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1xrd h THR 51 Cb 0.23 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1xrd h THR 51 CO 0.01 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.36