#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1le8 n SER 75 N 0.00 -1.14 -3.50 -5.58 7.64 -1.26 -5.12 113.62 104.66 1le8 n SER 75 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 1le8 n SER 75 Cb 0.00 -0.34 -0.05 0.00 -1.01 0.00 0.00 64.21 62.81 1le8 n SER 75 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1le8 s SER 76 N -0.12 -0.62 -0.59 6.43 0.15 -1.26 -5.10 113.70 112.59 1le8 s SER 76 Ca 0.00 0.52 -0.24 0.00 0.70 0.00 0.00 55.95 56.93 1le8 s SER 76 Cb 0.00 0.55 0.05 0.00 -1.71 0.00 0.00 66.02 64.90 1le8 s SER 76 CO 0.00 -0.69 0.98 -0.63 1.20 0.00 0.00 173.24 174.09 1le8 s ILE 77 N -1.82 4.32 0.37 6.45 1.01 -1.26 -4.75 121.20 125.52 1le8 s ILE 77 Ca -0.08 0.17 -0.27 0.00 0.00 0.00 0.00 60.65 60.47 1le8 s ILE 77 Cb -0.00 -4.60 -0.09 0.00 0.01 0.00 0.00 42.46 37.77 1le8 s ILE 77 CO 0.04 -1.24 1.30 -0.94 0.00 0.00 0.00 174.94 174.10 1le8 s SER 78 N 3.08 6.51 0.60 3.58 1.04 -1.26 -4.82 113.70 122.43 1le8 s SER 78 Ca 0.29 2.66 0.28 0.00 0.48 0.00 0.00 55.95 59.66 1le8 s SER 78 Cb -0.13 -2.64 1.34 0.00 0.10 0.00 0.00 66.02 64.69 1le8 s SER 78 CO 0.17 -0.71 1.75 -0.65 0.98 0.00 0.00 173.24 174.78 1le8 h PRO 79 N 2.97 0.00 -0.08 4.02 0.11 -2.00 0.91 132.00 137.93 1le8 h PRO 79 Ca -0.49 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1le8 h PRO 79 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1le8 h PRO 79 CO 0.64 0.00 -0.40 0.37 -0.21 0.00 0.00 178.00 178.40 1le8 h GLN 80 N 0.00 0.17 0.09 1.05 4.15 -2.01 -2.91 115.11 115.66 1le8 h GLN 80 Ca 0.25 -0.08 -0.26 0.00 0.77 0.00 0.00 58.65 59.34 1le8 h GLN 80 Cb 1.54 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.23 1le8 h GLN 80 CO -0.00 0.55 -1.16 0.00 -1.93 0.00 0.00 178.83 176.29 1le8 h ALA 81 N 1.45 0.18 -0.72 3.38 0.00 0.52 -3.08 119.26 121.00 1le8 h ALA 81 Ca 0.01 -0.85 0.05 0.00 0.00 0.00 0.00 54.91 54.13 1le8 h ALA 81 Cb 0.77 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1le8 h ALA 81 CO 0.06 0.95 0.47 0.00 0.00 0.00 0.00 179.25 180.73 1le8 h ARG 82 N 0.10 0.76 -0.37 0.00 3.08 -1.27 0.35 114.38 117.02 1le8 h ARG 82 Ca -0.11 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.76 1le8 h ARG 82 Cb 1.87 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 1le8 h ARG 82 CO 0.19 0.50 -0.31 0.00 -1.07 0.00 0.00 179.97 179.28 1le8 h ALA 83 N 1.60 0.75 0.61 0.04 0.00 -1.52 -0.85 119.26 119.90 1le8 h ALA 83 Ca 0.30 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1le8 h ALA 83 Cb 0.20 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1le8 h ALA 83 CO -0.10 0.66 -0.29 0.35 0.00 0.00 0.00 179.25 179.87 1le8 h PHE 84 N 0.68 -0.76 -0.83 0.00 3.57 -0.87 -1.59 116.94 117.15 1le8 h PHE 84 Ca 0.07 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.76 1le8 h PHE 84 Cb 0.86 0.25 -0.14 0.00 2.79 0.00 0.00 35.95 39.70 1le8 h PHE 84 CO 0.05 -0.44 0.05 -0.07 -2.23 0.00 0.00 178.31 175.67 1le8 h LEU 85 N -1.15 -0.32 -0.47 0.59 3.38 -0.43 0.44 115.31 117.35 1le8 h LEU 85 Ca -0.08 0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1le8 h LEU 85 Cb 0.66 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1le8 h LEU 85 CO 0.14 -0.21 0.11 -0.33 0.09 0.00 0.00 178.44 178.24 1le8 h GLU 86 N 0.11 0.24 -0.06 1.13 4.39 -1.03 -0.17 114.58 119.19 1le8 h GLU 86 Ca 0.47 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.16 1le8 h GLU 86 Cb 0.88 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1le8 h GLU 86 CO -0.72 0.16 0.03 1.96 -1.16 0.00 0.00 179.01 179.28 1le8 h GLN 87 N 0.25 0.09 -0.61 2.33 1.08 0.79 -2.28 115.11 116.76 1le8 h GLN 87 Ca 0.23 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.52 1le8 h GLN 87 Cb 0.29 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.63 1le8 h GLN 87 CO -0.29 0.20 0.21 0.28 -0.95 0.00 0.00 178.83 178.28 1le8 h VAL 88 N -0.05 0.75 -0.67 -0.54 2.07 -0.47 -1.73 116.25 115.61 1le8 h VAL 88 Ca 0.02 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1le8 h VAL 88 Cb 0.14 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 1le8 h VAL 88 CO -0.00 0.07 0.41 0.15 0.02 0.00 0.00 177.57 178.22 1le8 h PHE 89 N 0.39 0.76 -0.85 1.57 3.57 -0.81 -1.95 116.94 119.62 1le8 h PHE 89 Ca 0.31 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.99 1le8 h PHE 89 Cb 0.40 -0.25 -0.10 0.00 2.79 0.00 0.00 35.95 38.80 1le8 h PHE 89 CO -0.18 0.42 0.42 0.00 -2.23 0.00 0.00 178.31 176.74 1le8 h ARG 90 N 0.79 0.56 0.21 1.11 -0.00 -0.73 -3.06 114.38 113.26 1le8 h ARG 90 Ca 0.28 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.71 1le8 h ARG 90 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 29.91 1le8 h ARG 90 CO -0.12 0.37 -0.10 0.00 0.00 0.00 0.00 179.97 180.12 1le8 h ARG 91 N 0.58 -0.27 -4.12 0.04 2.47 -1.34 -3.45 114.38 108.28 1le8 h ARG 91 Ca 0.47 0.02 -0.48 0.00 -1.26 0.00 0.00 59.98 58.72 1le8 h ARG 91 Cb 0.71 0.06 -0.36 0.00 -1.65 0.00 0.00 29.97 28.72 1le8 h ARG 91 CO -0.39 -0.04 -0.79 0.21 0.56 0.00 0.00 179.97 179.52 1le8 s LYS 92 N -2.76 1.23 0.08 0.04 2.20 -0.77 -5.02 119.74 114.74 1le8 s LYS 92 Ca -0.07 -0.17 0.28 0.00 -0.36 0.00 0.00 55.97 55.64 1le8 s LYS 92 Cb 0.00 -1.29 1.00 0.00 -1.51 0.00 0.00 37.83 36.03 1le8 s LYS 92 CO 0.25 -0.20 1.82 1.04 -0.36 0.00 0.00 175.35 177.90 1le8 n GLN 93 N 4.66 0.11 -4.63 4.03 3.00 -1.22 -4.01 117.38 119.32 1le8 n GLN 93 Ca -0.15 0.08 -0.23 0.00 -0.01 0.00 0.00 57.00 56.70 1le8 n GLN 93 Cb 0.50 -1.62 -0.15 0.00 0.00 0.00 0.00 30.24 28.98 1le8 n GLN 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1le8 s SER 94 N -3.62 1.86 0.02 1.08 0.15 -1.26 -4.99 113.70 106.94 1le8 s SER 94 Ca 0.12 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.49 1le8 s SER 94 Cb 0.16 -0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 1le8 s SER 94 CO 0.57 0.15 -0.20 -0.76 1.20 0.00 0.00 173.24 174.20 1le8 s LEU 95 N -0.64 2.12 0.57 3.45 1.43 -1.26 -5.09 118.68 119.25 1le8 s LEU 95 Ca 0.05 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1le8 s LEU 95 Cb -0.07 -0.98 0.03 0.00 0.03 0.00 0.00 46.19 45.21 1le8 s LEU 95 CO 0.00 0.18 0.81 0.54 0.23 0.00 0.00 176.35 178.12 1le8 s ASN 96 N -0.93 5.30 0.27 2.29 2.20 -1.26 -4.80 114.94 118.00 1le8 s ASN 96 Ca 0.07 0.17 -0.01 0.00 -0.94 0.00 0.00 52.86 52.16 1le8 s ASN 96 Cb -0.08 -1.08 0.55 0.00 -2.00 0.00 0.00 41.25 38.63 1le8 s ASN 96 CO 0.01 -1.15 1.76 0.77 -2.94 0.00 0.00 177.10 175.55 1le8 h SER 97 N -0.02 0.55 -0.59 3.54 4.64 -2.01 0.13 113.55 119.79 1le8 h SER 97 Ca -0.43 0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 60.89 1le8 h SER 97 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1le8 h SER 97 CO 0.55 0.23 0.05 0.50 -0.87 0.00 0.00 176.83 177.29 1le8 h LYS 98 N 0.64 1.01 -0.28 4.77 3.64 -1.99 -0.82 116.57 123.54 1le8 h LYS 98 Ca 0.47 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1le8 h LYS 98 Cb 0.66 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1le8 h LYS 98 CO -0.36 0.98 -0.04 0.93 -2.27 0.00 0.00 179.45 178.69 1le8 h GLU 99 N 0.91 0.52 -0.53 1.90 5.08 -1.70 -2.45 114.58 118.31 1le8 h GLU 99 Ca 0.17 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1le8 h GLU 99 Cb 0.49 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1le8 h GLU 99 CO 0.02 0.70 0.33 -0.22 -1.00 0.00 0.00 179.01 178.85 1le8 h LYS 100 N 0.28 0.65 -0.64 2.33 3.64 -0.62 -1.09 116.57 121.13 1le8 h LYS 100 Ca 0.07 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1le8 h LYS 100 Cb 0.50 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1le8 h LYS 100 CO 0.02 0.43 0.16 1.49 -2.27 0.00 0.00 179.45 179.28 1le8 h GLU 101 N 0.67 0.99 -0.47 1.90 4.57 -1.12 -1.01 114.58 120.11 1le8 h GLU 101 Ca 0.20 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 1le8 h GLU 101 Cb -0.03 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 1le8 h GLU 101 CO -0.07 0.88 -0.15 1.49 -1.18 0.00 0.00 179.01 179.98 1le8 h GLU 102 N 0.95 0.90 -0.67 1.92 4.81 -1.06 -1.22 114.58 120.22 1le8 h GLU 102 Ca 0.20 -0.34 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1le8 h GLU 102 Cb 0.33 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1le8 h GLU 102 CO -0.00 0.99 0.15 0.28 -0.73 0.00 0.00 179.01 179.70 1le8 h VAL 103 N 0.80 1.26 -0.28 0.32 2.07 -0.87 -0.16 116.25 119.38 1le8 h VAL 103 Ca 0.12 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 1le8 h VAL 103 Cb 0.69 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1le8 h VAL 103 CO 0.05 0.37 -0.15 0.00 0.02 0.00 0.00 177.57 177.86 1le8 h ALA 104 N 1.06 1.21 -0.09 1.67 0.00 -0.91 -0.92 119.26 121.29 1le8 h ALA 104 Ca 0.21 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1le8 h ALA 104 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1le8 h ALA 104 CO 0.00 0.51 -0.24 1.57 0.00 0.00 0.00 179.25 181.09 1le8 h LYS 105 N 0.45 0.33 -0.94 0.00 2.10 -0.86 -2.95 116.57 114.70 1le8 h LYS 105 Ca 0.08 -0.23 0.10 0.00 -2.00 0.00 0.00 60.65 58.61 1le8 h LYS 105 Cb 0.53 0.04 -0.07 0.00 -0.90 0.00 0.00 32.23 31.83 1le8 h LYS 105 CO 0.03 0.84 0.60 1.57 -2.00 0.00 0.00 179.45 180.50 1le8 h LYS 106 N -0.14 0.91 0.00 0.07 -0.00 -0.86 -3.41 116.57 113.14 1le8 h LYS 106 Ca -0.00 -0.05 -0.21 0.00 -0.00 0.00 0.00 60.65 60.38 1le8 h LYS 106 Cb 0.85 -0.20 0.05 0.00 -0.00 0.00 0.00 32.23 32.92 1le8 h LYS 106 CO 0.05 0.60 0.07 0.00 -0.00 0.00 0.00 179.45 180.18 1le8 n GLY 108 N 1.41 6.20 3.33 0.00 0.00 -1.25 -4.85 105.19 110.02 1le8 n GLY 108 Ca 0.08 -2.55 -0.17 0.00 0.00 0.00 0.00 46.02 43.38 1le8 n GLY 108 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1le8 s ILE 109 N -4.72 0.89 0.46 -0.61 -4.36 -1.21 -4.44 121.20 107.21 1le8 s ILE 109 Ca 0.56 -2.01 -0.17 0.00 -0.26 0.00 0.00 60.65 58.76 1le8 s ILE 109 Cb 0.44 -2.43 -0.09 0.00 1.25 0.00 0.00 42.46 41.63 1le8 s ILE 109 CO 0.01 -0.23 0.93 0.42 0.24 0.00 0.00 174.94 176.31 1le8 s THR 110 N -3.52 4.52 0.30 8.37 -4.23 -1.26 -4.48 115.64 115.34 1le8 s THR 110 Ca 0.31 1.23 0.05 0.00 -1.18 0.00 0.00 61.69 62.10 1le8 s THR 110 Cb 0.07 -3.67 0.29 0.00 1.34 0.00 0.00 72.50 70.53 1le8 s THR 110 CO 0.10 -0.51 1.74 -0.65 -0.54 0.00 0.00 174.62 174.76 1le8 h PRO 111 N 1.40 0.56 -0.28 3.99 0.11 -1.91 -1.05 132.00 134.81 1le8 h PRO 111 Ca -0.48 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.66 1le8 h PRO 111 Cb 1.18 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 1le8 h PRO 111 CO 0.62 0.37 -0.12 1.25 -0.21 0.00 0.00 178.00 179.91 1le8 h LEU 112 N 0.58 -0.40 -1.24 2.35 5.85 -1.96 0.31 115.31 120.79 1le8 h LEU 112 Ca 0.58 0.10 0.07 0.00 0.84 0.00 0.00 57.88 59.47 1le8 h LEU 112 Cb 1.02 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 1le8 h LEU 112 CO -0.45 -0.15 0.55 1.56 -0.34 0.00 0.00 178.44 179.61 1le8 h GLN 113 N -0.07 0.88 0.71 1.25 4.20 -1.58 0.17 115.11 120.67 1le8 h GLN 113 Ca 0.15 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1le8 h GLN 113 Cb 0.29 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 27.88 1le8 h GLN 113 CO -0.33 0.58 -0.34 0.28 -0.67 0.00 0.00 178.83 178.35 1le8 h VAL 114 N 0.91 0.26 -0.87 -0.54 2.07 -0.91 0.48 116.25 117.65 1le8 h VAL 114 Ca 0.37 -0.10 0.18 0.00 0.82 0.00 0.00 66.70 67.97 1le8 h VAL 114 Cb 0.26 0.29 -0.11 0.00 -1.52 0.00 0.00 31.29 30.22 1le8 h VAL 114 CO -0.14 0.01 0.42 -0.09 0.02 0.00 0.00 177.57 177.79 1le8 h ARG 115 N -1.03 0.50 -0.21 1.57 2.43 -0.22 0.11 114.38 117.53 1le8 h ARG 115 Ca -0.10 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 1le8 h ARG 115 Cb 0.75 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1le8 h ARG 115 CO 0.16 0.33 -0.42 0.28 -1.51 0.00 0.00 179.97 178.80 1le8 h VAL 116 N 0.51 1.32 0.46 0.20 2.07 -0.46 -1.59 116.25 118.75 1le8 h VAL 116 Ca 0.51 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1le8 h VAL 116 Cb 0.86 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1le8 h VAL 116 CO -0.44 0.52 -0.48 -0.25 0.02 0.00 0.00 177.57 176.93 1le8 h TRP 117 N 0.36 -1.33 -0.73 1.57 7.01 0.17 -0.08 115.95 122.91 1le8 h TRP 117 Ca 0.01 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.13 1le8 h TRP 117 Cb 1.03 0.52 -0.08 0.00 -2.10 0.00 0.00 29.16 28.53 1le8 h TRP 117 CO 0.09 -0.64 0.35 0.74 -2.79 0.00 0.00 178.44 176.19 1le8 h PHE 118 N -0.95 0.62 -0.89 2.65 -1.00 -0.90 0.32 116.94 116.78 1le8 h PHE 118 Ca -0.05 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1le8 h PHE 118 Cb 0.84 -0.17 -0.04 0.00 3.61 0.00 0.00 35.95 40.19 1le8 h PHE 118 CO -0.26 0.19 0.56 0.82 -1.61 0.00 0.00 178.31 178.01 1le8 h ILE 119 N 0.57 1.24 0.06 -0.55 2.04 -0.93 0.54 117.51 120.48 1le8 h ILE 119 Ca 0.38 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1le8 h ILE 119 Cb 0.45 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1le8 h ILE 119 CO -0.31 0.24 -0.03 0.78 0.00 0.00 0.00 178.15 178.83 1le8 h ASN 120 N 1.21 -0.07 -0.74 1.72 2.35 0.55 0.11 115.58 120.70 1le8 h ASN 120 Ca 0.32 -0.37 0.09 0.00 -0.55 0.00 0.00 56.30 55.79 1le8 h ASN 120 Cb -0.10 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 1le8 h ASN 120 CO -0.07 0.35 0.49 0.50 -1.65 0.00 0.00 177.43 177.05 1le8 h LYS 121 N -0.51 0.66 -0.11 0.81 1.63 -0.28 0.14 116.57 118.92 1le8 h LYS 121 Ca -0.01 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.57 1le8 h LYS 121 Cb 0.44 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1le8 h LYS 121 CO 0.01 0.44 -0.64 -0.09 -3.45 0.00 0.00 179.45 175.72 1le8 h ARG 122 N 0.68 0.63 -0.26 1.90 2.43 -0.84 -3.14 114.38 115.78 1le8 h ARG 122 Ca 0.34 -0.53 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1le8 h ARG 122 Cb 0.42 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1le8 h ARG 122 CO -0.12 1.15 0.15 1.98 -1.51 0.00 0.00 179.97 181.62 1le8 h MET 123 N 0.27 0.35 -2.27 0.20 4.05 0.75 -3.13 114.93 115.15 1le8 h MET 123 Ca -0.05 -0.03 -0.60 0.00 -0.28 0.00 0.00 59.70 58.74 1le8 h MET 123 Cb 1.29 -0.08 -0.42 0.00 -0.80 0.00 0.00 31.60 31.60 1le8 h MET 123 CO 0.13 0.26 -0.58 2.89 0.23 0.00 0.00 176.91 179.85 1le8 n ARG 124 N -4.47 3.17 0.00 0.39 1.85 0.35 -4.41 116.66 113.54 1le8 n ARG 124 Ca 0.01 -4.82 0.00 0.00 -1.00 0.00 0.00 57.85 52.04 1le8 n ARG 124 Cb 0.09 -2.25 0.00 0.00 -1.05 0.00 0.00 32.46 29.25 1le8 n ARG 124 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1le8 n SER 125 N -0.01 0.00 0.00 2.89 7.64 -1.19 -4.90 113.62 118.06 1le8 n SER 125 Ca 0.31 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1le8 n SER 125 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1le8 n SER 125 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32