#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gab n ILE 2 N 0.00 -0.27 0.29 12.58 -0.00 -1.26 -4.66 119.36 126.03 1gab n ILE 2 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 62.75 62.84 1gab n ILE 2 Cb 0.00 -0.70 0.48 0.00 -0.00 0.00 0.00 39.64 39.42 1gab n ILE 2 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1gab h ASP 3 N -0.63 0.00 0.00 4.38 3.58 -2.09 0.98 116.42 122.65 1gab h ASP 3 Ca -0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1gab h ASP 3 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1gab h ASP 3 CO 0.52 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.88 1gab n GLN 4 N -2.54 0.75 -0.13 0.28 6.02 -1.26 -3.98 117.38 116.52 1gab n GLN 4 Ca -0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.92 1gab n GLN 4 Cb 0.53 -1.15 0.03 0.00 1.02 0.00 0.00 30.24 30.67 1gab n GLN 4 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1gab h TRP 5 N 0.10 0.32 -1.08 1.08 5.08 -1.14 -3.44 115.95 116.86 1gab h TRP 5 Ca 0.00 0.02 -0.12 0.00 1.08 0.00 0.00 58.89 59.87 1gab h TRP 5 Cb 0.15 -0.08 -0.05 0.00 -3.00 0.00 0.00 29.16 26.18 1gab h TRP 5 CO 0.00 0.14 -0.11 1.28 -1.28 0.00 0.00 178.44 178.48 1gab n LEU 6 N -4.97 -0.29 0.00 0.11 4.77 -1.26 -1.20 117.00 114.17 1gab n LEU 6 Ca 0.02 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1gab n LEU 6 Cb 0.13 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1gab n LEU 6 CO 0.28 -0.43 0.00 -0.11 -1.33 0.00 0.00 177.39 175.80 1gab n LEU 7 N -1.06 0.96 -4.27 2.23 7.94 -1.26 -4.87 117.00 116.66 1gab n LEU 7 Ca -0.06 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.41 1gab n LEU 7 Cb 0.25 -2.07 -0.03 0.00 0.53 0.00 0.00 43.42 42.11 1gab n LEU 7 CO 0.09 -0.79 0.52 -0.54 -1.11 0.00 0.00 177.39 175.56 1gab s LYS 8 N -1.58 3.70 0.00 1.96 1.02 -0.34 -4.57 119.74 119.92 1gab s LYS 8 Ca 0.00 -2.92 0.00 0.00 0.02 0.00 0.00 55.97 53.07 1gab s LYS 8 Cb 0.00 -4.34 0.00 0.00 -0.52 0.00 0.00 37.83 32.97 1gab s LYS 8 CO 0.00 -1.25 0.00 0.27 -0.92 0.00 0.00 175.35 173.45 1gab n ASN 9 N 3.13 0.00 0.00 2.83 2.04 -1.26 -4.88 115.26 117.12 1gab n ASN 9 Ca 0.19 0.00 0.08 0.00 -0.44 0.00 0.00 54.58 54.41 1gab n ASN 9 Cb 0.41 0.00 0.44 0.00 -2.53 0.00 0.00 39.78 38.11 1gab n ASN 9 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1gab n ALA 10 N -1.45 1.98 0.04 -2.53 0.00 -1.26 -3.49 120.51 113.80 1gab n ALA 10 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1gab n ALA 10 Cb 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 1gab n ALA 10 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1gab h LYS 11 N 0.00 -0.31 0.11 0.00 1.57 -1.90 0.31 116.57 116.36 1gab h LYS 11 Ca 0.00 0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.47 1gab h LYS 11 Cb 0.10 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1gab h LYS 11 CO 0.00 -0.21 -1.76 1.49 -0.57 0.00 0.00 179.45 178.40 1gab h GLU 12 N -0.32 0.24 0.00 3.15 4.57 -1.96 -1.16 114.58 119.10 1gab h GLU 12 Ca 0.07 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1gab h GLU 12 Cb 0.42 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1gab h GLU 12 CO -0.22 1.20 0.00 -0.44 -1.18 0.00 0.00 179.01 178.37 1gab h ASP 13 N -0.14 0.00 0.00 1.04 5.19 -1.60 -1.52 116.42 119.38 1gab h ASP 13 Ca -0.38 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.69 1gab h ASP 13 Cb 1.89 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 41.34 1gab h ASP 13 CO 0.05 0.00 -2.27 0.00 -3.12 0.00 0.00 179.24 173.90 1gab n ALA 14 N -1.86 1.52 -0.19 3.45 0.00 0.11 -3.93 120.51 119.61 1gab n ALA 14 Ca -0.02 -0.94 0.19 0.00 0.00 0.00 0.00 53.44 52.67 1gab n ALA 14 Cb 0.05 0.02 0.55 0.00 0.00 0.00 0.00 19.45 20.07 1gab n ALA 14 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1gab h ILE 15 N -0.12 0.70 -0.40 0.00 2.04 -0.61 1.69 117.51 120.81 1gab h ILE 15 Ca -0.51 -0.11 -0.14 0.00 1.00 0.00 0.00 64.86 65.10 1gab h ILE 15 Cb 1.73 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1gab h ILE 15 CO -0.12 0.06 -0.31 0.00 0.00 0.00 0.00 178.15 177.78 1gab h ALA 16 N 1.63 0.71 -0.17 1.87 0.00 -1.48 -1.93 119.26 119.88 1gab h ALA 16 Ca 0.41 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gab h ALA 16 Cb 1.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1gab h ALA 16 CO -0.12 0.66 0.00 -1.91 0.00 0.00 0.00 179.25 177.89 1gab n GLU 17 N -4.08 1.77 -0.10 0.00 2.13 0.22 -3.54 120.64 117.03 1gab n GLU 17 Ca -0.01 -1.15 -0.16 0.00 0.66 0.00 0.00 57.16 56.50 1gab n GLU 17 Cb 0.49 -1.40 -0.06 0.00 0.27 0.00 0.00 31.44 30.74 1gab n GLU 17 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1gab n LEU 18 N 0.38 1.90 -0.34 4.31 4.77 0.52 -3.49 117.00 125.04 1gab n LEU 18 Ca 0.16 0.41 -0.01 0.00 -0.03 0.00 0.00 56.01 56.54 1gab n LEU 18 Cb 0.34 -0.83 0.12 0.00 -2.33 0.00 0.00 43.42 40.72 1gab n LEU 18 CO 0.13 0.03 1.25 0.50 -1.33 0.00 0.00 177.39 177.97 1gab h LYS 19 N -1.00 1.15 0.00 3.23 3.64 -1.53 0.95 116.57 123.01 1gab h LYS 19 Ca -0.27 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1gab h LYS 19 Cb 1.13 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1gab h LYS 19 CO -0.16 0.76 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.44 1gab h LYS 20 N 1.19 0.00 -0.98 1.90 3.64 -1.76 -2.13 116.57 118.43 1gab h LYS 20 Ca 0.36 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.88 1gab h LYS 20 Cb -0.04 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.70 1gab h LYS 20 CO -0.11 0.12 0.62 0.00 -2.27 0.00 0.00 179.45 177.82 1gab h ALA 21 N 1.88 1.62 0.00 5.00 0.00 -0.84 -3.45 119.26 123.47 1gab h ALA 21 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gab h ALA 21 Cb 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1gab h ALA 21 CO 0.02 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1gab n GLY 22 N -1.36 -0.27 3.80 0.00 0.00 -0.80 -5.11 105.19 101.44 1gab n GLY 22 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1gab n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gab s ILE 23 N -0.52 4.32 0.00 -0.61 1.01 -1.25 -5.01 121.20 119.15 1gab s ILE 23 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 60.65 59.24 1gab s ILE 23 Cb 0.00 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1gab s ILE 23 CO 0.00 -0.31 0.64 0.35 0.00 0.00 0.00 174.94 175.63 1gab n THR 24 N -0.98 0.00 -0.37 2.92 -2.24 -1.26 -4.30 114.28 108.05 1gab n THR 24 Ca -0.08 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.47 1gab n THR 24 Cb 0.57 0.26 0.21 0.00 -2.10 0.00 0.00 70.33 69.27 1gab n THR 24 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1gab n SER 25 N 0.00 -3.17 -0.00 3.42 7.64 -1.26 -4.98 113.62 115.26 1gab n SER 25 Ca 0.00 -0.76 0.02 0.00 1.01 0.00 0.00 58.87 59.14 1gab n SER 25 Cb 0.57 -0.75 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 1gab n SER 25 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1gab n ASP 26 N -4.96 4.05 -0.03 6.43 -0.08 -1.26 -4.34 116.55 116.36 1gab n ASP 26 Ca 0.11 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.54 1gab n ASP 26 Cb 0.45 1.13 0.78 0.00 2.34 0.00 0.00 41.12 45.82 1gab n ASP 26 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1gab n PHE 27 N -1.69 0.00 0.53 -0.67 7.35 -1.26 -1.07 117.46 120.64 1gab n PHE 27 Ca -0.01 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.73 1gab n PHE 27 Cb 0.16 -0.19 -0.03 0.00 0.35 0.00 0.00 39.48 39.78 1gab n PHE 27 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1gab n TYR 28 N -1.12 0.00 -0.00 -5.13 4.01 -1.26 -4.32 117.16 109.34 1gab n TYR 28 Ca 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.90 1gab n TYR 28 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1gab n TYR 28 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1gab n PHE 29 N -0.65 0.00 0.30 -0.72 3.72 -1.16 -4.60 117.46 114.35 1gab n PHE 29 Ca 0.04 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.62 1gab n PHE 29 Cb 0.22 -0.03 0.88 0.00 -0.94 0.00 0.00 39.48 39.61 1gab n PHE 29 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1gab h ASN 30 N -0.01 0.00 0.22 4.37 -0.73 -1.37 -1.21 115.58 116.85 1gab h ASN 30 Ca -0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1gab h ASN 30 Cb 1.02 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.61 1gab h ASN 30 CO -0.01 0.03 -0.08 0.00 -0.37 0.00 0.00 177.43 177.00 1gab n ALA 31 N -2.13 2.74 0.32 1.57 0.00 -1.26 -4.11 120.51 117.64 1gab n ALA 31 Ca -0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.00 1gab n ALA 31 Cb 0.21 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 1gab n ALA 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1gab h ILE 32 N 0.86 0.00 0.00 0.00 2.04 -1.47 -0.66 117.51 118.28 1gab h ILE 32 Ca 0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1gab h ILE 32 Cb 0.34 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1gab h ILE 32 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 178.15 177.69 1gab n ASN 33 N -4.89 0.00 0.06 1.72 6.94 -1.26 -1.27 115.26 116.55 1gab n ASN 33 Ca -0.11 0.46 0.11 0.00 -0.02 0.00 0.00 54.58 55.03 1gab n ASN 33 Cb 0.33 -0.47 -0.05 0.00 -2.36 0.00 0.00 39.78 37.24 1gab n ASN 33 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1gab n LYS 34 N -1.47 0.57 0.00 -3.83 4.76 -1.04 -4.92 118.16 112.23 1gab n LYS 34 Ca 0.02 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1gab n LYS 34 Cb 0.09 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 1gab n LYS 34 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gab n ALA 35 N -2.15 0.00 0.02 7.82 0.00 -0.28 -5.02 120.51 120.90 1gab n ALA 35 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 1gab n ALA 35 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 1gab n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1gab n LYS 36 N -0.69 0.04 -4.76 0.00 4.81 -1.26 -5.04 118.16 111.26 1gab n LYS 36 Ca 0.00 0.01 -0.33 0.00 -0.87 0.00 0.00 58.31 57.13 1gab n LYS 36 Cb 0.00 -0.39 -0.08 0.00 0.02 0.00 0.00 35.03 34.58 1gab n LYS 36 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1gab s THR 37 N -1.67 1.18 0.17 3.15 -4.23 -1.26 -4.26 115.64 108.71 1gab s THR 37 Ca -0.02 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.36 1gab s THR 37 Cb 0.00 -2.18 0.07 0.00 1.34 0.00 0.00 72.50 71.73 1gab s THR 37 CO 0.03 0.00 1.75 0.58 -0.54 0.00 0.00 174.62 176.44 1gab h VAL 38 N 1.36 1.20 -0.18 2.29 2.07 -1.98 0.39 116.25 121.39 1gab h VAL 38 Ca -0.44 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 66.56 1gab h VAL 38 Cb 1.31 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1gab h VAL 38 CO 0.74 0.23 0.19 -0.33 0.02 0.00 0.00 177.57 178.42 1gab h GLU 39 N 0.76 0.00 0.10 1.57 4.39 -1.98 0.27 114.58 119.69 1gab h GLU 39 Ca 0.19 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.63 1gab h GLU 39 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1gab h GLU 39 CO -0.02 0.00 -1.24 1.49 -1.16 0.00 0.00 179.01 178.08 1gab h GLU 40 N 0.00 0.21 0.41 2.33 4.57 -1.38 -0.92 114.58 119.81 1gab h GLU 40 Ca 0.09 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 1gab h GLU 40 Cb 0.46 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1gab h GLU 40 CO -0.00 1.15 -0.20 0.28 -1.18 0.00 0.00 179.01 179.06 1gab h VAL 41 N 0.06 0.00 -0.49 0.32 2.07 0.11 -1.23 116.25 117.08 1gab h VAL 41 Ca -0.13 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.35 1gab h VAL 41 Cb 1.94 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1gab h VAL 41 CO 0.18 0.00 0.34 0.78 0.02 0.00 0.00 177.57 178.89 1gab h ASN 42 N -0.70 0.20 -0.78 0.57 2.35 -1.27 0.30 115.58 116.25 1gab h ASN 42 Ca -0.06 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1gab h ASN 42 Cb 0.42 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 1gab h ASN 42 CO 0.09 0.12 0.51 0.00 -1.65 0.00 0.00 177.43 176.50 1gab h ALA 43 N 1.75 1.00 -0.28 -0.83 0.00 -0.95 -2.61 119.26 117.35 1gab h ALA 43 Ca 0.23 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1gab h ALA 43 Cb 0.62 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1gab h ALA 43 CO -0.04 0.37 -0.32 -0.07 0.00 0.00 0.00 179.25 179.19 1gab h LEU 44 N 1.02 -1.02 -1.54 0.00 3.38 0.31 0.24 115.31 117.70 1gab h LEU 44 Ca 0.30 0.17 0.27 0.00 0.09 0.00 0.00 57.88 58.70 1gab h LEU 44 Cb -0.07 0.46 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1gab h LEU 44 CO -0.08 -0.33 0.68 0.50 0.09 0.00 0.00 178.44 179.30 1gab h LYS 45 N -0.31 0.30 -0.07 1.13 1.63 -1.49 0.17 116.57 117.93 1gab h LYS 45 Ca 0.14 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1gab h LYS 45 Cb 0.53 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1gab h LYS 45 CO -0.45 0.20 -0.02 -0.91 -3.45 0.00 0.00 179.45 174.81 1gab h ASN 46 N 0.30 0.13 0.07 4.20 2.35 -0.47 -2.12 115.58 120.04 1gab h ASN 46 Ca 0.55 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1gab h ASN 46 Cb 1.57 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.91 1gab h ASN 46 CO -0.21 0.47 0.00 1.21 -1.65 0.00 0.00 177.43 177.26 1gab n GLU 47 N -4.81 0.65 -0.09 0.81 2.13 0.13 -2.65 120.64 116.80 1gab n GLU 47 Ca -0.07 0.01 -0.15 0.00 0.66 0.00 0.00 57.16 57.62 1gab n GLU 47 Cb 0.23 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.35 1gab n GLU 47 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1gab h ILE 48 N 0.00 0.75 0.00 6.31 2.04 -0.13 -0.14 117.51 126.34 1gab h ILE 48 Ca 0.00 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.05 1gab h ILE 48 Cb 0.03 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1gab h ILE 48 CO 0.00 0.25 0.00 0.17 0.00 0.00 0.00 178.15 178.57 1gab h LEU 49 N -1.00 0.00 0.12 1.44 -0.00 -1.44 0.49 115.31 114.92 1gab h LEU 49 Ca -0.18 0.00 -0.35 0.00 -0.00 0.00 0.00 57.88 57.35 1gab h LEU 49 Cb 0.95 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.60 1gab h LEU 49 CO -0.11 0.00 -1.89 0.11 -0.00 0.00 0.00 178.44 176.55 1gab h LYS 50 N 0.00 0.24 -0.52 0.17 1.57 -1.61 -3.32 116.57 113.10 1gab h LYS 50 Ca 0.00 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1gab h LYS 50 Cb 0.33 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1gab h LYS 50 CO 0.00 1.20 0.00 0.00 -0.57 0.00 0.00 179.45 180.08 1gab n ALA 51 N -3.04 2.71 -3.62 3.86 0.00 -0.06 -4.87 120.51 115.49 1gab n ALA 51 Ca -0.31 -0.74 -0.06 0.00 0.00 0.00 0.00 53.44 52.33 1gab n ALA 51 Cb 1.01 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1gab n ALA 51 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1gab s HIS 52 N -1.64 -0.25 0.00 0.00 5.65 0.17 -4.95 115.29 114.26 1gab s HIS 52 Ca 0.25 0.03 0.00 0.00 0.25 0.00 0.00 55.06 55.59 1gab s HIS 52 Cb 0.15 0.59 0.00 0.00 -1.18 0.00 0.00 32.58 32.14 1gab s HIS 52 CO 0.13 -0.68 0.00 0.00 -0.65 0.00 0.00 174.74 173.54