#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khd s SER 2 N 0.00 -0.38 -0.31 6.12 1.04 -1.26 -5.13 113.70 113.79 2khd s SER 2 Ca 0.00 -0.31 -0.23 0.00 0.48 0.00 0.00 55.95 55.89 2khd s SER 2 Cb 0.00 0.61 -0.00 0.00 0.10 0.00 0.00 66.02 66.73 2khd s SER 2 CO 0.00 -1.06 0.76 0.54 0.98 0.00 0.00 173.24 174.46 2khd s ASN 3 N -2.83 6.63 0.00 7.02 2.20 -1.26 -4.89 114.94 121.81 2khd s ASN 3 Ca 0.06 0.61 0.29 0.00 -0.94 0.00 0.00 52.86 52.88 2khd s ASN 3 Cb -0.02 -2.39 1.18 0.00 -2.00 0.00 0.00 41.25 38.02 2khd s ASN 3 CO -0.06 -0.59 1.82 0.00 -2.94 0.00 0.00 177.10 175.33 2khd n GLN 4 N 6.15 1.14 0.00 3.55 10.64 -1.26 -5.00 117.38 132.59 2khd n GLN 4 Ca 0.03 -0.53 0.00 0.00 -1.83 0.00 0.00 57.00 54.67 2khd n GLN 4 Cb 0.48 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.37 2khd n GLN 4 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2khd n THR 5 N -0.47 0.00 -3.85 -0.39 -2.24 -1.26 -4.89 114.28 101.18 2khd n THR 5 Ca 0.17 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.86 2khd n THR 5 Cb 0.29 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.53 2khd n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2khd h VAL 7 N 2.02 0.28 -3.25 0.00 2.07 -2.06 -3.42 116.25 111.89 2khd h VAL 7 Ca -0.30 -0.83 -0.59 0.00 0.82 0.00 0.00 66.70 65.80 2khd h VAL 7 Cb 1.25 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 32.59 2khd h VAL 7 CO 0.38 0.11 0.53 -1.61 0.02 0.00 0.00 177.57 177.00 2khd s GLU 8 N -3.65 4.21 0.00 1.57 2.02 -1.26 -4.74 118.70 116.85 2khd s GLU 8 Ca 0.01 1.03 0.00 0.00 0.02 0.00 0.00 54.97 56.03 2khd s GLU 8 Cb 0.09 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.68 2khd s GLU 8 CO 0.59 -0.53 0.00 -1.71 0.02 0.00 0.00 175.26 173.64 2khd n ASN 9 N 6.02 0.00 -4.79 -0.19 5.15 -1.26 -5.12 115.26 115.07 2khd n ASN 9 Ca 0.07 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.70 2khd n ASN 9 Cb 0.47 0.27 -0.02 0.00 -0.53 0.00 0.00 39.78 39.98 2khd n ASN 9 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2khd s GLU 10 N -1.92 3.61 0.13 1.20 2.02 -1.26 -4.99 118.70 117.49 2khd s GLU 10 Ca 0.00 1.45 -0.30 0.00 0.02 0.00 0.00 54.97 56.14 2khd s GLU 10 Cb 0.00 -2.06 -0.07 0.00 0.10 0.00 0.00 34.13 32.10 2khd s GLU 10 CO 0.00 -0.61 1.20 0.08 0.02 0.00 0.00 175.26 175.95 2khd s VAL 11 N -1.91 3.77 0.03 2.63 1.01 -1.26 -5.02 120.40 119.65 2khd s VAL 11 Ca 0.69 1.39 -0.11 0.00 0.00 0.00 0.00 61.98 63.95 2khd s VAL 11 Cb -0.19 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 2khd s VAL 11 CO 0.23 0.17 0.37 0.00 0.00 0.00 0.00 175.10 175.88 2khd s GLU 13 N -1.56 0.90 -0.55 0.00 2.12 -1.26 -5.09 118.70 113.27 2khd s GLU 13 Ca 0.28 -0.70 -0.26 0.00 0.36 0.00 0.00 54.97 54.65 2khd s GLU 13 Cb -0.15 0.01 0.04 0.00 0.26 0.00 0.00 34.13 34.29 2khd s GLU 13 CO 0.15 -1.17 1.03 0.00 -0.54 0.00 0.00 175.26 174.73 2khd s ALA 14 N 1.25 3.11 -1.31 6.30 0.00 -1.26 -4.26 121.76 125.60 2khd s ALA 14 Ca 0.24 -1.03 -0.24 0.00 0.00 0.00 0.00 51.96 50.93 2khd s ALA 14 Cb -0.00 -3.83 0.03 0.00 0.00 0.00 0.00 23.12 19.31 2khd s ALA 14 CO -0.06 -2.44 0.50 0.00 0.00 0.00 0.00 175.76 173.76 2khd s GLY 16 N -3.78 2.97 0.10 0.00 0.00 -1.26 -5.00 107.32 100.34 2khd s GLY 16 Ca 0.35 1.22 -0.17 0.00 0.00 0.00 0.00 44.72 46.12 2khd s GLY 16 CO 0.97 1.83 0.54 0.00 0.00 0.00 0.00 173.10 176.45 2khd n ALA 18 N 1.33 -0.01 -2.35 0.00 0.00 -1.26 -4.85 120.51 113.37 2khd n ALA 18 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 2khd n ALA 18 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 2khd n ALA 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2khd s GLY 19 N -1.08 2.80 0.59 0.00 0.00 -1.26 -5.04 107.32 103.32 2khd s GLY 19 Ca 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 44.72 44.83 2khd s GLY 19 CO 0.00 1.05 1.09 1.85 0.00 0.00 0.00 173.10 177.09 2khd s GLU 20 N -0.19 3.20 0.00 2.90 2.56 -1.26 -4.94 118.70 120.97 2khd s GLU 20 Ca 0.38 1.40 0.26 0.00 0.00 0.00 0.00 54.97 57.01 2khd s GLU 20 Cb -0.21 -2.00 0.71 0.00 2.00 0.00 0.00 34.13 34.63 2khd s GLU 20 CO 0.23 -0.94 1.54 0.44 -0.56 0.00 0.00 175.26 175.97 2khd n ILE 21 N -1.85 0.00 -2.19 -3.70 -5.35 -1.26 -5.03 119.36 99.98 2khd n ILE 21 Ca 0.10 -0.16 -0.01 0.00 -0.27 0.00 0.00 62.75 62.40 2khd n ILE 21 Cb 0.52 0.52 -0.01 0.00 -1.74 0.00 0.00 39.64 38.92 2khd n ILE 21 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2khd n GLY 22 N 1.33 -5.22 3.13 3.28 0.00 -1.26 -5.02 105.19 101.43 2khd n GLY 22 Ca 0.13 0.37 -0.25 0.00 0.00 0.00 0.00 46.02 46.28 2khd n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2khd n PHE 23 N 1.49 -3.92 -0.15 1.61 3.72 -1.26 -4.97 117.46 113.98 2khd n PHE 23 Ca -0.10 -0.94 -0.10 0.00 -0.05 0.00 0.00 57.45 56.27 2khd n PHE 23 Cb 0.15 -0.89 -0.01 0.00 -0.94 0.00 0.00 39.48 37.80 2khd n PHE 23 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2khd h ILE 24 N -1.91 1.24 -3.25 4.37 1.08 -2.08 -3.41 117.51 113.55 2khd h ILE 24 Ca -0.36 -0.88 -0.56 0.00 -0.39 0.00 0.00 64.86 62.68 2khd h ILE 24 Cb 1.01 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 35.70 2khd h ILE 24 CO 0.24 0.31 0.57 -0.63 -0.69 0.00 0.00 178.15 177.95 2khd s ILE 25 N -5.20 4.77 0.09 -0.67 1.01 -1.26 -5.00 121.20 114.93 2khd s ILE 25 Ca -0.13 2.04 -0.30 0.00 0.00 0.00 0.00 60.65 62.26 2khd s ILE 25 Cb 0.10 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 2khd s ILE 25 CO 0.79 0.00 1.06 -0.60 0.00 0.00 0.00 174.94 176.18 2khd s ARG 26 N 2.03 4.58 0.40 2.79 3.52 -1.26 -5.02 118.95 125.98 2khd s ARG 26 Ca 0.48 1.58 -0.23 0.00 -0.13 0.00 0.00 55.73 57.44 2khd s ARG 26 Cb -0.18 -3.37 -0.10 0.00 -1.56 0.00 0.00 34.95 29.74 2khd s ARG 26 CO 0.18 0.00 0.99 -1.83 -0.81 0.00 0.00 175.30 173.83 2khd s GLU 27 N 0.40 4.25 0.00 5.12 -1.05 -1.26 -4.90 118.70 121.26 2khd s GLU 27 Ca 0.51 1.33 -0.07 0.00 -0.15 0.00 0.00 54.97 56.59 2khd s GLU 27 Cb -0.26 -2.45 0.02 0.00 -0.44 0.00 0.00 34.13 31.01 2khd s GLU 27 CO 0.31 -0.03 0.33 0.41 0.95 0.00 0.00 175.26 177.22 2khd n GLY 28 N 0.04 0.60 0.18 -3.83 0.00 -1.26 -4.98 105.19 95.94 2khd n GLY 28 Ca 0.05 -0.90 0.13 0.00 0.00 0.00 0.00 46.02 45.31 2khd n GLY 28 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2khd h ASP 29 N 0.52 0.00 -0.08 1.61 3.32 -2.01 -1.43 116.42 118.35 2khd h ASP 29 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2khd h ASP 29 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2khd h ASP 29 CO 0.08 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.70 2khd n ASP 30 N -2.46 1.37 -4.17 6.45 5.75 -1.26 -4.64 116.55 117.59 2khd n ASP 30 Ca 0.01 -1.55 -0.28 0.00 -0.01 0.00 0.00 54.79 52.96 2khd n ASP 30 Cb 0.21 -0.05 -0.16 0.00 -1.03 0.00 0.00 41.12 40.09 2khd n ASP 30 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2khd s VAL 31 N -1.91 1.67 0.13 2.12 1.01 -0.54 -2.66 120.40 120.22 2khd s VAL 31 Ca 0.36 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.59 2khd s VAL 31 Cb 0.19 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2khd s VAL 31 CO 0.30 0.47 -0.19 0.00 0.00 0.00 0.00 175.10 175.68 2khd s ALA 32 N 0.12 2.65 -0.05 5.51 0.00 0.12 -4.64 121.76 125.47 2khd s ALA 32 Ca -0.08 -1.40 -0.07 0.00 0.00 0.00 0.00 51.96 50.41 2khd s ALA 32 Cb -0.14 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 2khd s ALA 32 CO 0.04 0.57 0.22 -1.83 0.00 0.00 0.00 175.76 174.76 2khd s GLU 33 N -2.22 3.55 -0.05 0.00 -1.05 -1.26 -0.53 118.70 117.14 2khd s GLU 33 Ca 0.18 -0.07 0.04 0.00 -0.15 0.00 0.00 54.97 54.97 2khd s GLU 33 Cb -0.10 -3.15 -0.00 0.00 -0.44 0.00 0.00 34.13 30.44 2khd s GLU 33 CO 0.10 0.71 -0.17 0.08 0.95 0.00 0.00 175.26 176.93 2khd s VAL 34 N -1.16 1.43 -0.03 1.83 1.01 0.85 -4.88 120.40 119.45 2khd s VAL 34 Ca 0.22 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2khd s VAL 34 Cb -0.13 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.04 2khd s VAL 34 CO 0.11 0.41 0.00 -0.94 0.00 0.00 0.00 175.10 174.69 2khd s SER 35 N 0.12 0.44 -0.01 3.32 1.04 -1.26 -0.88 113.70 116.46 2khd s SER 35 Ca -0.06 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.40 2khd s SER 35 Cb -0.12 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 2khd s SER 35 CO 0.03 -0.11 -0.16 -0.22 0.98 0.00 0.00 173.24 173.77 2khd s LEU 36 N 1.05 2.02 0.02 2.42 2.96 -1.02 -4.97 118.68 121.16 2khd s LEU 36 Ca -0.09 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 2khd s LEU 36 Cb -0.13 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.73 2khd s LEU 36 CO -0.02 0.19 -0.03 0.72 -1.32 0.00 0.00 176.35 175.89 2khd s PHE 37 N -0.35 0.25 0.00 5.38 -0.12 -1.26 -0.30 117.98 121.57 2khd s PHE 37 Ca 0.06 -0.44 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 2khd s PHE 37 Cb -0.06 -0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.16 2khd s PHE 37 CO -0.01 -0.15 0.00 0.41 -0.05 0.00 0.00 175.22 175.42 2khd n GLY 38 N 1.85 3.38 7.00 1.99 0.00 -0.80 -5.00 105.19 113.61 2khd n GLY 38 Ca -0.22 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2khd n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2khd n SER 39 N 0.00 0.00 -3.80 1.61 7.64 -1.26 -4.39 113.62 113.42 2khd n SER 39 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 2khd n SER 39 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.32 2khd n SER 39 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2khd n ASP 40 N -2.66 0.64 -0.24 6.43 5.68 -1.26 -4.29 116.55 120.84 2khd n ASP 40 Ca 0.00 -1.67 -0.07 0.00 -0.50 0.00 0.00 54.79 52.55 2khd n ASP 40 Cb 0.00 -0.64 0.04 0.00 -1.14 0.00 0.00 41.12 39.38 2khd n ASP 40 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2khd h LYS 41 N 0.00 0.98 -0.92 0.11 3.64 -1.02 -2.76 116.57 116.60 2khd h LYS 41 Ca -0.30 -0.15 0.20 0.00 -1.27 0.00 0.00 60.65 59.13 2khd h LYS 41 Cb 0.96 -0.17 -0.11 0.00 -0.41 0.00 0.00 32.23 32.49 2khd h LYS 41 CO 0.26 0.79 0.48 0.00 -2.27 0.00 0.00 179.45 178.71 2khd h ALA 42 N 1.14 1.49 -0.64 5.00 0.00 -1.91 0.15 119.26 124.49 2khd h ALA 42 Ca 0.23 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2khd h ALA 42 Cb 0.15 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2khd h ALA 42 CO -0.03 -0.21 0.20 1.25 0.00 0.00 0.00 179.25 180.47 2khd h HIS 43 N 0.56 1.03 -0.74 0.00 -0.00 -1.78 -2.44 115.15 111.78 2khd h HIS 43 Ca 0.55 -0.10 -0.06 0.00 -0.00 0.00 0.00 60.37 60.75 2khd h HIS 43 Cb 0.94 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 28.02 2khd h HIS 43 CO -0.08 0.84 0.22 -0.07 -0.00 0.00 0.00 177.93 178.84 2khd h LEU 44 N 0.92 1.09 -0.86 0.26 3.38 -0.72 -2.62 115.31 116.76 2khd h LEU 44 Ca 0.21 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2khd h LEU 44 Cb 0.29 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2khd h LEU 44 CO -0.01 1.01 0.33 -0.33 0.09 0.00 0.00 178.44 179.54 2khd h GLU 45 N 1.10 1.17 -0.65 1.13 4.39 -0.90 0.54 114.58 121.36 2khd h GLU 45 Ca 0.24 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2khd h GLU 45 Cb 0.32 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2khd h GLU 45 CO -0.01 0.93 0.32 0.78 -1.16 0.00 0.00 179.01 179.87 2khd h GLY 46 N 1.16 1.01 1.68 -3.84 0.00 -1.11 -2.22 103.07 99.75 2khd h GLY 46 Ca 0.27 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2khd h GLY 46 CO -0.03 0.47 -0.29 0.50 0.00 0.00 0.00 176.54 177.20 2khd h LYS 47 N 0.90 0.00 -0.74 4.80 1.57 -1.12 -3.28 116.57 118.71 2khd h LYS 47 Ca 0.23 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 2khd h LYS 47 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2khd h LYS 47 CO -0.03 0.00 0.22 1.25 -0.57 0.00 0.00 179.45 180.32 2khd h LEU 48 N 0.00 1.08 -0.90 2.94 5.85 0.70 -2.31 115.31 122.67 2khd h LEU 48 Ca 0.00 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2khd h LEU 48 Cb 0.91 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 2khd h LEU 48 CO 0.00 1.01 0.58 0.00 -0.34 0.00 0.00 178.44 179.68 2khd h ALA 49 N 1.13 1.21 -0.32 1.25 0.00 -1.56 -1.52 119.26 119.45 2khd h ALA 49 Ca 0.24 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 2khd h ALA 49 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2khd h ALA 49 CO -0.01 0.39 -0.34 0.93 0.00 0.00 0.00 179.25 180.23 2khd h GLU 50 N 1.09 0.70 -0.56 0.00 4.39 -1.64 -2.52 114.58 116.03 2khd h GLU 50 Ca 0.37 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2khd h GLU 50 Cb 0.08 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2khd h GLU 50 CO -0.14 0.94 0.31 1.88 -1.16 0.00 0.00 179.01 180.83 2khd h TYR 51 N 0.59 0.76 -0.57 4.33 -1.99 -0.77 -1.54 116.97 117.80 2khd h TYR 51 Ca 0.06 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.73 2khd h TYR 51 Cb 0.86 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 39.32 2khd h TYR 51 CO 0.04 0.56 0.16 0.82 -0.00 0.00 0.00 178.16 179.74 2khd h ILE 52 N 0.75 1.24 -0.75 -2.88 2.04 -1.23 -2.21 117.51 114.48 2khd h ILE 52 Ca 0.20 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.25 2khd h ILE 52 Cb 0.04 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2khd h ILE 52 CO -0.03 0.31 0.48 -1.28 0.00 0.00 0.00 178.15 177.63 2khd h SER 53 N 0.80 0.81 -0.73 1.72 0.87 -1.05 -0.59 113.55 115.38 2khd h SER 53 Ca 0.18 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 2khd h SER 53 Cb 0.30 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2khd h SER 53 CO -0.00 0.56 0.30 -0.07 -0.53 0.00 0.00 176.83 177.09 2khd h LEU 54 N 0.95 1.01 -0.72 2.23 3.38 -1.00 -2.15 115.31 119.01 2khd h LEU 54 Ca 0.29 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2khd h LEU 54 Cb -0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2khd h LEU 54 CO -0.10 0.90 -0.01 0.00 0.09 0.00 0.00 178.44 179.33 2khd h ALA 55 N 1.15 0.92 -0.60 1.53 0.00 -0.73 -2.50 119.26 119.03 2khd h ALA 55 Ca 0.25 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2khd h ALA 55 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2khd h ALA 55 CO -0.02 0.64 0.13 0.87 0.00 0.00 0.00 179.25 180.87 2khd h LYS 56 N 0.89 0.98 -0.34 0.00 1.57 -0.81 0.12 116.57 118.97 2khd h LYS 56 Ca 0.16 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2khd h LYS 56 Cb 0.53 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2khd h LYS 56 CO 0.03 0.90 0.19 1.96 -0.57 0.00 0.00 179.45 181.96 2khd h GLN 57 N 0.88 0.48 -0.35 3.15 4.20 -1.21 -2.78 115.11 119.48 2khd h GLN 57 Ca 0.19 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 2khd h GLN 57 Cb 0.38 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2khd h GLN 57 CO 0.01 0.40 -0.01 0.28 -0.67 0.00 0.00 178.83 178.83 2khd h VAL 58 N 0.43 1.26 -3.24 -0.54 2.07 -1.27 -3.42 116.25 111.54 2khd h VAL 58 Ca 0.12 -1.00 -0.37 0.00 0.82 0.00 0.00 66.70 66.27 2khd h VAL 58 Cb 0.06 1.23 -0.39 0.00 -1.52 0.00 0.00 31.29 30.67 2khd h VAL 58 CO -0.02 0.33 -0.73 -0.47 0.02 0.00 0.00 177.57 176.70 2khd s TYR 59 N -4.96 0.05 0.51 1.57 5.04 0.38 -5.11 117.35 114.83 2khd s TYR 59 Ca -0.13 0.22 -0.20 0.00 -2.44 0.00 0.00 57.07 54.51 2khd s TYR 59 Cb 0.09 -0.48 -0.07 0.00 0.35 0.00 0.00 41.96 41.85 2khd s TYR 59 CO 0.78 -0.25 1.12 0.00 -1.34 0.00 0.00 175.55 175.86 2khd s ALA 60 N 2.18 2.79 -1.23 3.97 0.00 -1.10 -3.50 121.76 124.88 2khd s ALA 60 Ca 0.04 0.81 -0.06 0.00 0.00 0.00 0.00 51.96 52.75 2khd s ALA 60 Cb -0.13 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.66 2khd s ALA 60 CO -0.04 -0.65 1.06 -1.71 0.00 0.00 0.00 175.76 174.42 2khd n ASN 61 N -1.04 -5.09 -4.74 0.00 2.85 -1.26 -4.96 115.26 101.02 2khd n ASN 61 Ca 0.10 -0.52 -0.40 0.00 -0.11 0.00 0.00 54.58 53.65 2khd n ASN 61 Cb 0.51 -4.74 -0.05 0.00 1.24 0.00 0.00 39.78 36.73 2khd n ASN 61 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2khd s VAL 62 N -3.31 4.31 0.04 3.44 0.11 -1.23 -5.05 120.40 118.71 2khd s VAL 62 Ca 0.41 2.05 0.04 0.00 -2.93 0.00 0.00 61.98 61.55 2khd s VAL 62 Cb -0.18 -4.31 -0.04 0.00 -1.53 0.00 0.00 36.38 30.32 2khd s VAL 62 CO 0.68 0.41 -0.07 -1.61 -3.33 0.00 0.00 175.10 171.18 2khd s GLU 63 N -0.58 2.43 0.13 1.54 2.02 -1.26 -5.00 118.70 117.97 2khd s GLU 63 Ca 0.43 -0.82 -0.13 0.00 0.02 0.00 0.00 54.97 54.47 2khd s GLU 63 Cb -0.24 -2.45 0.02 0.00 0.10 0.00 0.00 34.13 31.56 2khd s GLU 63 CO 0.30 0.57 0.35 1.52 0.02 0.00 0.00 175.26 178.02 2khd s TYR 64 N -1.08 -0.04 0.03 1.61 1.13 -1.26 -2.71 117.35 115.04 2khd s TYR 64 Ca 0.19 -0.32 0.01 0.00 -1.41 0.00 0.00 57.07 55.54 2khd s TYR 64 Cb -0.11 0.16 -0.02 0.00 -1.10 0.00 0.00 41.96 40.88 2khd s TYR 64 CO 0.10 -0.68 -0.05 -1.21 -2.51 0.00 0.00 175.55 171.19 2khd s GLU 65 N -3.84 0.44 -0.08 -3.49 0.41 -0.45 -4.96 118.70 106.73 2khd s GLU 65 Ca 0.06 -0.74 0.04 0.00 -0.41 0.00 0.00 54.97 53.91 2khd s GLU 65 Cb 0.02 -0.07 0.00 0.00 -1.78 0.00 0.00 34.13 32.31 2khd s GLU 65 CO -0.10 -0.01 -0.21 0.08 -0.49 0.00 0.00 175.26 174.54 2khd s VAL 66 N -1.66 1.78 0.79 2.63 1.01 -1.26 -0.69 120.40 123.00 2khd s VAL 66 Ca -0.11 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 2khd s VAL 66 Cb -0.08 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.83 2khd s VAL 66 CO -0.01 0.50 1.14 0.00 0.00 0.00 0.00 175.10 176.73 2khd s ALA 67 N 0.36 2.77 0.01 5.51 0.00 -1.07 -4.96 121.76 124.37 2khd s ALA 67 Ca -0.15 -0.74 -0.33 0.00 0.00 0.00 0.00 51.96 50.73 2khd s ALA 67 Cb -0.17 -2.86 -0.12 0.00 0.00 0.00 0.00 23.12 19.98 2khd s ALA 67 CO 0.07 -1.61 1.83 -2.30 0.00 0.00 0.00 175.76 173.75 2khd n PRO 68 N -3.23 2.37 -4.14 0.00 -0.02 -1.26 -4.79 135.00 123.93 2khd n PRO 68 Ca 0.08 0.87 -0.18 0.00 -2.02 0.00 0.00 63.50 62.25 2khd n PRO 68 Cb 0.61 -2.72 -0.16 0.00 -0.02 0.00 0.00 33.50 31.21 2khd n PRO 68 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2khd s VAL 69 N 3.30 0.44 0.56 -1.45 1.01 -1.26 -4.94 120.40 118.06 2khd s VAL 69 Ca 0.88 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.54 2khd s VAL 69 Cb -0.62 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 2khd s VAL 69 CO 0.45 0.17 1.10 0.00 0.00 0.00 0.00 175.10 176.82 2khd s ALA 70 N 0.48 2.70 0.32 5.51 0.00 -1.26 -4.94 121.76 124.58 2khd s ALA 70 Ca -0.06 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.58 2khd s ALA 70 Cb -0.09 -3.31 0.55 0.00 0.00 0.00 0.00 23.12 20.27 2khd s ALA 70 CO -0.00 -0.77 1.91 -0.44 0.00 0.00 0.00 175.76 176.46 2khd h ASP 71 N 0.95 0.67 -0.44 0.00 3.32 -2.00 -1.13 116.42 117.79 2khd h ASP 71 Ca -0.49 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.48 2khd h ASP 71 Cb 1.24 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2khd h ASP 71 CO 0.57 0.61 0.00 -0.46 -1.72 0.00 0.00 179.24 178.24 2khd n ASN 72 N -4.34 2.64 -4.77 6.45 0.23 -1.26 -1.52 115.26 112.69 2khd n ASN 72 Ca 0.04 -2.09 -0.39 0.00 -0.53 0.00 0.00 54.58 51.62 2khd n ASN 72 Cb 0.16 -0.35 -0.00 0.00 -2.08 0.00 0.00 39.78 37.51 2khd n ASN 72 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2khd s ALA 73 N -1.50 3.13 -2.27 -2.53 0.00 -0.43 -4.72 121.76 113.45 2khd s ALA 73 Ca 0.31 1.17 0.23 0.00 0.00 0.00 0.00 51.96 53.67 2khd s ALA 73 Cb 0.17 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.93 2khd s ALA 73 CO 0.19 -0.85 1.17 2.41 0.00 0.00 0.00 175.76 178.68 2khd n THR 74 N -0.16 0.00 -4.07 0.00 -1.04 -1.26 -2.61 114.28 105.13 2khd n THR 74 Ca 0.05 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.05 61.62 2khd n THR 74 Cb 0.45 1.25 -0.11 0.00 -1.82 0.00 0.00 70.33 70.09 2khd n THR 74 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2khd s GLU 75 N -2.35 0.55 -0.06 -2.82 2.12 -1.26 -1.90 118.70 112.97 2khd s GLU 75 Ca 0.22 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.77 2khd s GLU 75 Cb 0.19 -0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.30 2khd s GLU 75 CO 0.50 0.05 -0.08 -1.17 -0.54 0.00 0.00 175.26 174.02 2khd s LEU 76 N -1.65 1.43 -0.15 2.70 0.20 0.58 -4.89 118.68 116.90 2khd s LEU 76 Ca -0.09 -0.23 -0.13 0.00 0.69 0.00 0.00 54.13 54.38 2khd s LEU 76 Cb -0.09 -0.67 -0.05 0.00 -0.43 0.00 0.00 46.19 44.95 2khd s LEU 76 CO 0.00 -0.03 0.26 -1.00 -0.29 0.00 0.00 176.35 175.30 2khd s HIS 77 N 0.93 3.48 0.05 5.38 3.76 -1.26 -2.44 115.29 125.19 2khd s HIS 77 Ca -0.10 0.57 -0.10 0.00 -0.15 0.00 0.00 55.06 55.27 2khd s HIS 77 Cb -0.15 -2.28 0.01 0.00 1.11 0.00 0.00 32.58 31.27 2khd s HIS 77 CO 0.01 0.31 0.22 0.00 -0.85 0.00 0.00 174.74 174.43 2khd s ALA 78 N 0.25 -0.43 -0.02 -1.40 0.00 -0.06 -2.60 121.76 117.50 2khd s ALA 78 Ca 0.15 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.89 2khd s ALA 78 Cb -0.13 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 2khd s ALA 78 CO 0.03 -0.40 -0.14 1.03 0.00 0.00 0.00 175.76 176.28 2khd s ARG 79 N -2.80 1.33 0.06 0.00 0.52 0.13 -0.11 118.95 118.09 2khd s ARG 79 Ca -0.03 -0.51 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 2khd s ARG 79 Cb 0.00 -1.23 -0.03 0.00 0.52 0.00 0.00 34.95 34.21 2khd s ARG 79 CO -0.05 0.25 -0.15 -0.06 0.02 0.00 0.00 175.30 175.31 2khd s PHE 80 N -0.11 1.32 0.06 -0.53 0.40 0.31 -1.35 117.98 118.08 2khd s PHE 80 Ca 0.01 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.01 2khd s PHE 80 Cb -0.08 -0.76 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 2khd s PHE 80 CO 0.00 0.07 -0.20 -1.59 0.70 0.00 0.00 175.22 174.20 2khd s LYS 81 N -1.45 1.30 0.00 0.44 0.00 -1.10 0.10 119.74 119.03 2khd s LYS 81 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 55.97 54.99 2khd s LYS 81 Cb -0.09 -1.45 0.00 0.00 0.00 0.00 0.00 37.83 36.29 2khd s LYS 81 CO 0.02 0.36 0.00 1.19 0.00 0.00 0.00 175.35 176.92 2khd n PHE 82 N 1.65 0.00 0.00 1.78 3.72 -1.09 -4.42 117.46 119.10 2khd n PHE 82 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2khd n PHE 82 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 2khd n PHE 82 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2khd n GLU 83 N 0.00 0.00 -4.20 -1.08 0.28 -1.26 -5.03 120.64 109.35 2khd n GLU 83 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 2khd n GLU 83 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 2khd n GLU 83 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2khd s VAL 84 N -0.12 0.86 -0.53 3.84 -7.23 -1.26 -4.87 120.40 111.10 2khd s VAL 84 Ca 0.00 -1.98 0.24 0.00 -1.81 0.00 0.00 61.98 58.43 2khd s VAL 84 Cb 0.00 -1.75 0.32 0.00 0.56 0.00 0.00 36.38 35.51 2khd s VAL 84 CO 0.00 -0.82 1.68 0.28 -0.31 0.00 0.00 175.10 175.93 2khd h SER 85 N 2.89 0.00 -0.57 4.85 0.02 -1.97 -3.28 113.55 115.49 2khd h SER 85 Ca -0.36 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 2khd h SER 85 Cb 1.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 2khd h SER 85 CO 0.64 0.00 0.22 0.00 -1.14 0.00 0.00 176.83 176.56 2khd h ALA 86 N 2.19 0.74 0.00 3.77 0.00 -1.98 -2.28 119.26 121.70 2khd h ALA 86 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2khd h ALA 86 Cb 0.89 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2khd h ALA 86 CO 0.00 0.35 -0.35 0.93 0.00 0.00 0.00 179.25 180.18 2khd h GLU 87 N 0.78 0.00 -0.32 0.00 5.08 -2.00 -2.88 114.58 115.24 2khd h GLU 87 Ca 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2khd h GLU 87 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2khd h GLU 87 CO -0.01 0.35 0.13 -0.22 -1.00 0.00 0.00 179.01 178.25 2khd h LYS 88 N 0.00 0.47 -0.08 2.33 3.64 -1.53 0.70 116.57 122.10 2khd h LYS 88 Ca -0.00 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2khd h LYS 88 Cb 0.64 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2khd h LYS 88 CO 0.05 0.48 0.03 -0.07 -2.27 0.00 0.00 179.45 177.66 2khd h LEU 89 N 0.36 0.12 -0.27 5.20 3.38 -1.31 0.20 115.31 123.00 2khd h LEU 89 Ca 0.11 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2khd h LEU 89 Cb 0.18 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2khd h LEU 89 CO -0.01 0.30 -0.15 0.40 0.09 0.00 0.00 178.44 179.07 2khd h ILE 90 N -0.06 1.30 -0.47 1.22 5.03 -1.45 -1.55 117.51 121.53 2khd h ILE 90 Ca 0.03 -1.26 -0.01 0.00 -0.12 0.00 0.00 64.86 63.49 2khd h ILE 90 Cb 0.22 1.55 -0.02 0.00 -3.03 0.00 0.00 36.82 35.54 2khd h ILE 90 CO -0.00 0.40 0.25 0.15 -0.68 0.00 0.00 178.15 178.27 2khd h PHE 91 N 0.30 0.66 -0.61 1.37 3.57 0.47 -1.74 116.94 120.95 2khd h PHE 91 Ca 0.06 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2khd h PHE 91 Cb 0.68 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 2khd h PHE 91 CO 0.06 0.50 0.21 1.49 -2.23 0.00 0.00 178.31 178.34 2khd h GLU 92 N 0.62 0.91 -0.27 1.11 4.57 -0.54 -0.96 114.58 120.01 2khd h GLU 92 Ca 0.16 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2khd h GLU 92 Cb 0.07 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 2khd h GLU 92 CO -0.02 0.77 0.11 1.25 -1.18 0.00 0.00 179.01 179.93 2khd h LEU 93 N 0.89 0.38 -0.31 1.64 6.46 -0.73 0.30 115.31 123.93 2khd h LEU 93 Ca 0.20 -0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.74 2khd h LEU 93 Cb 0.23 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2khd h LEU 93 CO -0.01 0.44 -0.02 0.11 -0.62 0.00 0.00 178.44 178.34 2khd h LYS 94 N 0.29 0.56 -0.35 1.25 1.57 -1.06 0.14 116.57 118.96 2khd h LYS 94 Ca 0.09 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 2khd h LYS 94 Cb 0.18 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2khd h LYS 94 CO -0.01 0.71 -0.26 1.79 -0.57 0.00 0.00 179.45 181.11 2khd h THR 95 N 0.34 1.29 -0.38 -0.16 1.35 -1.09 -1.05 112.91 113.21 2khd h THR 95 Ca 0.09 -1.41 -0.10 0.00 -0.55 0.00 0.00 66.41 64.43 2khd h THR 95 Cb 0.47 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 2khd h THR 95 CO 0.02 0.47 -0.17 -0.09 -0.25 0.00 0.00 175.52 175.50 2khd h ARG 96 N 0.59 0.78 -0.67 4.72 2.43 -0.37 -1.86 114.38 120.00 2khd h ARG 96 Ca 0.07 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 2khd h ARG 96 Cb 0.83 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 2khd h ARG 96 CO 0.07 0.95 0.23 0.00 -1.51 0.00 0.00 179.97 179.71 2khd h ALA 97 N 0.80 0.87 -0.73 2.80 0.00 -0.67 -2.36 119.26 119.97 2khd h ALA 97 Ca 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2khd h ALA 97 Cb 0.71 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2khd h ALA 97 CO 0.05 0.52 0.26 1.25 0.00 0.00 0.00 179.25 181.33 2khd h LEU 98 N 0.96 1.03 -1.32 0.00 6.46 -1.06 -2.39 115.31 118.98 2khd h LEU 98 Ca 0.22 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 2khd h LEU 98 Cb 0.26 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 2khd h LEU 98 CO -0.01 0.95 0.26 0.00 -0.62 0.00 0.00 178.44 179.02 2khd h ALA 99 N 1.13 1.48 -0.47 1.25 0.00 -0.96 -2.64 119.26 119.05 2khd h ALA 99 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2khd h ALA 99 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2khd h ALA 99 CO -0.01 0.42 0.26 0.00 0.00 0.00 0.00 179.25 179.92 2khd h ARG 100 N 0.73 0.65 -5.06 0.00 2.47 -0.92 -3.40 114.38 108.85 2khd h ARG 100 Ca 0.19 -0.07 -0.63 0.00 -1.26 0.00 0.00 59.98 58.20 2khd h ARG 100 Cb 0.06 -0.13 -0.17 0.00 -1.65 0.00 0.00 29.97 28.08 2khd h ARG 100 CO -0.03 0.50 -0.55 -0.48 0.56 0.00 0.00 179.97 179.97 2khd s LEU 101 N -9.99 3.86 -0.28 3.04 2.34 -0.99 -5.06 118.68 111.58 2khd s LEU 101 Ca -0.13 0.00 -0.17 0.00 0.06 0.00 0.00 54.13 53.89 2khd s LEU 101 Cb 0.11 -2.03 -0.03 0.00 -0.56 0.00 0.00 46.19 43.69 2khd s LEU 101 CO 0.75 0.04 0.46 -1.83 -1.06 0.00 0.00 176.35 174.71 2khd s GLU 102 N 1.17 3.95 0.18 1.48 1.03 -1.26 -4.82 118.70 120.43 2khd s GLU 102 Ca 0.06 0.10 -0.08 0.00 0.03 0.00 0.00 54.97 55.08 2khd s GLU 102 Cb -0.14 -3.69 0.07 0.00 -0.80 0.00 0.00 34.13 29.57 2khd s GLU 102 CO 0.05 -0.38 1.60 0.45 -1.33 0.00 0.00 175.26 175.64 2khd h HIS 103 N 8.17 1.11 -4.18 4.83 3.86 -1.97 -3.39 115.15 123.57 2khd h HIS 103 Ca -0.30 -0.24 -0.47 0.00 -1.16 0.00 0.00 60.37 58.20 2khd h HIS 103 Cb 1.15 -0.27 0.03 0.00 1.06 0.00 0.00 27.41 29.37 2khd h HIS 103 CO 0.75 1.05 0.37 -1.01 0.86 0.00 0.00 177.93 179.95 2khd s HIS 104 N -4.78 3.30 -1.49 2.45 3.76 -1.26 -3.82 115.29 113.45 2khd s HIS 104 Ca -0.11 1.49 -0.03 0.00 -0.15 0.00 0.00 55.06 56.27 2khd s HIS 104 Cb 0.13 -2.86 0.02 0.00 1.11 0.00 0.00 32.58 30.98 2khd s HIS 104 CO 0.86 -0.56 0.34 0.72 -0.85 0.00 0.00 174.74 175.25 2khd n HIS 105 N -1.60 -1.54 -0.23 1.40 -0.00 -1.26 -4.83 115.22 107.17 2khd n HIS 105 Ca 0.07 0.71 -0.07 0.00 -0.00 0.00 0.00 57.72 58.43 2khd n HIS 105 Cb 0.54 -3.35 0.03 0.00 -0.00 0.00 0.00 29.99 27.21 2khd n HIS 105 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2khd h HIS 106 N -1.76 1.01 -0.38 4.41 2.76 -1.77 -2.94 115.15 116.48 2khd h HIS 106 Ca -0.63 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 57.40 2khd h HIS 106 Cb 1.38 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 30.03 2khd h HIS 106 CO 0.52 0.82 0.10 1.25 -1.30 0.00 0.00 177.93 179.33 2khd h HIS 107 N 0.91 0.63 -0.01 5.26 -0.00 -1.92 -3.52 115.15 116.50 2khd h HIS 107 Ca 0.21 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2khd h HIS 107 Cb 0.28 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 2khd h HIS 107 CO 0.02 0.61 0.00 1.58 -0.00 0.00 0.00 177.93 180.14