#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 0.88 0.17 7.83 0.01 -1.26 -5.04 113.70 116.28 2khd s SER 2 Ca 0.00 -0.33 -0.10 0.00 1.31 0.00 0.00 55.95 56.83 2khd s SER 2 Cb 0.00 -0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.23 2khd s SER 2 CO 0.00 -0.04 1.60 -0.55 0.41 0.00 0.00 173.24 174.66 2khd h ASN 3 N 5.27 1.02 -3.10 2.44 -1.07 -2.12 -3.44 115.58 114.59 2khd h ASN 3 Ca -0.33 -0.34 -0.62 0.00 0.07 0.00 0.00 56.30 55.08 2khd h ASN 3 Cb 1.19 -0.28 -0.10 0.00 -2.07 0.00 0.00 38.32 37.07 2khd h ASN 3 CO 0.46 1.12 -0.63 -1.58 0.07 0.00 0.00 177.43 176.87 2khd s GLN 4 N -4.90 2.68 0.00 4.14 0.74 -1.26 -5.01 119.66 116.06 2khd s GLN 4 Ca -0.12 -0.85 0.24 0.00 0.05 0.00 0.00 55.36 54.68 2khd s GLN 4 Cb 0.13 -2.58 0.34 0.00 1.10 0.00 0.00 33.01 32.00 2khd s GLN 4 CO 0.86 0.52 1.35 0.25 -0.55 0.00 0.00 175.29 177.72 2khd n THR 5 N 0.24 0.30 -1.55 -0.34 -2.24 -1.26 -4.84 114.28 104.59 2khd n THR 5 Ca -0.10 -0.64 -0.13 0.00 -2.27 0.00 0.00 64.05 60.91 2khd n THR 5 Cb 0.53 1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.83 2khd n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2khd n VAL 7 N 8.86 0.12 0.00 0.00 3.14 -1.26 -5.01 118.33 124.18 2khd n VAL 7 Ca 0.39 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 2khd n VAL 7 Cb 0.47 0.31 0.00 0.00 -1.06 0.00 0.00 33.84 33.56 2khd n VAL 7 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2khd n GLU 8 N -1.92 0.00 -3.00 1.45 4.07 -1.26 -3.77 120.64 116.20 2khd n GLU 8 Ca 0.01 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.68 2khd n GLU 8 Cb 0.44 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.76 2khd n GLU 8 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2khd s ASN 9 N -3.80 6.34 -0.30 4.31 3.84 -1.26 -4.98 114.94 119.09 2khd s ASN 9 Ca 0.00 -0.35 -0.12 0.00 0.21 0.00 0.00 52.86 52.59 2khd s ASN 9 Cb 0.00 -2.36 0.13 0.00 -0.55 0.00 0.00 41.25 38.47 2khd s ASN 9 CO 0.00 -0.95 0.75 -0.70 -2.79 0.00 0.00 177.10 173.42 2khd s GLU 10 N 3.21 0.52 -0.07 0.43 2.12 -1.25 -5.14 118.70 118.52 2khd s GLU 10 Ca 0.26 1.21 -0.24 0.00 0.36 0.00 0.00 54.97 56.56 2khd s GLU 10 Cb -0.14 0.64 -0.03 0.00 0.26 0.00 0.00 34.13 34.86 2khd s GLU 10 CO 0.19 -0.16 0.75 0.14 -0.54 0.00 0.00 175.26 175.64 2khd s VAL 11 N 2.55 5.00 -0.07 3.70 -7.23 -1.26 -5.03 120.40 118.06 2khd s VAL 11 Ca -0.06 1.54 -0.21 0.00 -1.81 0.00 0.00 61.98 61.45 2khd s VAL 11 Cb -0.09 -4.09 -0.04 0.00 0.56 0.00 0.00 36.38 32.72 2khd s VAL 11 CO -0.19 0.21 0.58 0.00 -0.31 0.00 0.00 175.10 175.40 2khd s GLU 13 N 0.49 0.56 0.00 0.00 2.56 -1.26 -4.96 118.70 116.09 2khd s GLU 13 Ca 0.31 0.92 0.00 0.00 0.00 0.00 0.00 54.97 56.20 2khd s GLU 13 Cb -0.17 0.46 0.00 0.00 2.00 0.00 0.00 34.13 36.42 2khd s GLU 13 CO 0.15 -0.68 0.00 0.00 -0.56 0.00 0.00 175.26 174.17 2khd n ALA 14 N 5.42 0.00 -0.55 6.30 0.00 -1.26 -5.06 120.51 125.36 2khd n ALA 14 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2khd n ALA 14 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2khd n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2khd n GLY 16 N 0.00 3.51 3.79 0.00 0.00 -1.26 -5.14 105.19 106.08 2khd n GLY 16 Ca 0.00 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 2khd n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khd s ALA 18 N -1.76 3.05 0.00 0.00 0.00 -1.26 -4.96 121.76 116.82 2khd s ALA 18 Ca 0.58 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2khd s ALA 18 Cb -0.19 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2khd s ALA 18 CO 0.24 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.33 2khd n GLY 19 N 0.63 3.68 0.06 0.00 0.00 -1.26 -4.97 105.19 103.33 2khd n GLY 19 Ca 0.07 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.04 2khd n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2khd n GLU 20 N 0.00 0.55 -0.15 1.61 0.28 -1.26 -3.68 120.64 117.99 2khd n GLU 20 Ca 0.00 -0.11 -0.10 0.00 -0.16 0.00 0.00 57.16 56.79 2khd n GLU 20 Cb 0.00 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.36 2khd n GLU 20 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2khd h ILE 21 N 0.27 1.26 -0.19 3.84 1.08 -1.95 -3.47 117.51 118.35 2khd h ILE 21 Ca 0.00 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.42 2khd h ILE 21 Cb 0.32 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 2khd h ILE 21 CO 0.00 0.36 0.00 0.61 -0.69 0.00 0.00 178.15 178.43 2khd n GLY 22 N -0.35 4.45 3.76 5.37 0.00 -1.24 -5.13 105.19 112.03 2khd n GLY 22 Ca -0.00 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 2khd n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2khd s PHE 23 N -0.30 3.78 -0.65 1.61 0.08 -1.26 -4.64 117.98 116.59 2khd s PHE 23 Ca 0.00 1.81 0.24 0.00 0.12 0.00 0.00 56.93 59.10 2khd s PHE 23 Cb 0.00 -3.12 0.39 0.00 -0.57 0.00 0.00 43.02 39.72 2khd s PHE 23 CO 0.00 -0.03 1.37 0.44 -0.10 0.00 0.00 175.22 176.90 2khd n ILE 24 N 1.27 0.38 0.00 0.64 -5.35 -1.26 -4.40 119.36 110.64 2khd n ILE 24 Ca -0.01 -0.27 -0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2khd n ILE 24 Cb 0.46 -0.17 -0.00 0.00 -1.74 0.00 0.00 39.64 38.19 2khd n ILE 24 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2khd h ILE 25 N 0.00 0.00 -6.36 7.28 2.04 -1.98 -3.48 117.51 115.01 2khd h ILE 25 Ca 0.00 -0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.52 2khd h ILE 25 Cb 0.74 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2khd h ILE 25 CO 0.00 0.00 -1.07 -1.14 0.00 0.00 0.00 178.15 175.94 2khd n ARG 26 N -2.01 -1.96 -3.49 2.37 0.63 -1.26 -3.01 116.66 107.94 2khd n ARG 26 Ca -0.00 1.47 -0.23 0.00 -0.92 0.00 0.00 57.85 58.17 2khd n ARG 26 Cb 0.00 -2.70 0.05 0.00 0.45 0.00 0.00 32.46 30.26 2khd n ARG 26 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2khd n GLU 27 N -0.47 -1.60 -3.26 -0.14 2.13 -1.26 -4.93 120.64 111.12 2khd n GLU 27 Ca -0.08 0.69 -0.43 0.00 0.66 0.00 0.00 57.16 58.00 2khd n GLU 27 Cb 0.65 -4.79 -0.08 0.00 0.27 0.00 0.00 31.44 27.49 2khd n GLU 27 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2khd s GLY 28 N -3.39 1.84 -0.77 8.31 0.00 -1.16 -4.61 107.32 107.54 2khd s GLY 28 Ca 0.42 -1.38 -0.06 0.00 0.00 0.00 0.00 44.72 43.70 2khd s GLY 28 CO 0.81 1.26 0.61 1.34 0.00 0.00 0.00 173.10 177.13 2khd n ASP 29 N 5.78 -4.93 -2.07 1.64 2.03 -1.26 -4.28 116.55 113.46 2khd n ASP 29 Ca -0.06 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.40 2khd n ASP 29 Cb 0.48 -1.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 2khd n ASP 29 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2khd n ASP 30 N -2.26 -7.41 -4.38 1.67 2.03 -1.26 -4.39 116.55 100.56 2khd n ASP 30 Ca -0.29 1.43 -0.20 0.00 0.52 0.00 0.00 54.79 56.25 2khd n ASP 30 Cb 0.70 -4.47 -0.10 0.00 -0.72 0.00 0.00 41.12 36.52 2khd n ASP 30 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2khd s VAL 31 N -0.44 1.80 0.07 5.18 1.01 -1.26 -2.61 120.40 124.14 2khd s VAL 31 Ca 0.00 -2.22 0.06 0.00 0.00 0.00 0.00 61.98 59.82 2khd s VAL 31 Cb 0.00 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2khd s VAL 31 CO 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 175.10 174.42 2khd s ALA 32 N -2.93 1.38 -0.13 5.51 0.00 0.11 -4.89 121.76 120.80 2khd s ALA 32 Ca 0.25 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 2khd s ALA 32 Cb -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2khd s ALA 32 CO 0.09 0.25 0.05 -2.00 0.00 0.00 0.00 175.76 174.15 2khd s GLU 33 N -1.60 3.51 -0.08 0.00 2.12 -1.26 -1.86 118.70 119.53 2khd s GLU 33 Ca 0.02 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.05 2khd s GLU 33 Cb -0.09 -3.05 0.01 0.00 0.26 0.00 0.00 34.13 31.25 2khd s GLU 33 CO 0.02 0.53 -0.17 0.08 -0.54 0.00 0.00 175.26 175.18 2khd s VAL 34 N -0.37 1.53 -0.08 3.70 1.01 -0.93 -4.97 120.40 120.29 2khd s VAL 34 Ca 0.09 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 2khd s VAL 34 Cb -0.12 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.93 2khd s VAL 34 CO 0.02 0.44 -0.03 -0.44 0.00 0.00 0.00 175.10 175.09 2khd s SER 35 N 0.46 1.69 -0.04 3.32 0.01 -1.26 -2.67 113.70 115.20 2khd s SER 35 Ca -0.15 -0.16 0.06 0.00 1.31 0.00 0.00 55.95 57.01 2khd s SER 35 Cb -0.16 -0.58 -0.01 0.00 0.21 0.00 0.00 66.02 65.48 2khd s SER 35 CO 0.06 -0.14 -0.23 -0.22 0.41 0.00 0.00 173.24 173.11 2khd s LEU 36 N 1.70 2.03 0.04 2.44 2.96 -1.09 -4.98 118.68 121.78 2khd s LEU 36 Ca 0.02 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 2khd s LEU 36 Cb -0.13 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 2khd s LEU 36 CO -0.05 0.25 0.13 -0.36 -1.32 0.00 0.00 176.35 175.00 2khd s PHE 37 N -0.32 3.36 0.03 5.38 0.08 -1.26 -0.73 117.98 124.52 2khd s PHE 37 Ca 0.03 0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.23 2khd s PHE 37 Cb -0.11 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 2khd s PHE 37 CO 0.01 0.57 0.23 0.41 -0.10 0.00 0.00 175.22 176.34 2khd n GLY 38 N 0.71 1.04 0.00 4.36 0.00 0.60 -4.96 105.19 106.95 2khd n GLY 38 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2khd n GLY 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2khd n SER 39 N -0.66 0.00 -4.89 1.61 3.41 -1.26 -4.31 113.62 107.51 2khd n SER 39 Ca -0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2khd n SER 39 Cb 0.13 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 2khd n SER 39 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2khd s ASP 40 N -0.35 6.07 0.27 4.04 2.15 -1.26 -3.87 116.67 123.72 2khd s ASP 40 Ca 0.00 1.08 -0.02 0.00 0.43 0.00 0.00 52.55 54.05 2khd s ASP 40 Cb 0.00 -2.21 0.35 0.00 -0.30 0.00 0.00 42.92 40.76 2khd s ASP 40 CO 0.00 -0.83 1.78 0.50 -0.17 0.00 0.00 175.17 176.45 2khd h LYS 41 N -0.11 0.81 -0.97 4.34 3.64 -1.60 -2.77 116.57 119.91 2khd h LYS 41 Ca -0.45 -0.20 0.08 0.00 -1.27 0.00 0.00 60.65 58.81 2khd h LYS 41 Cb 1.21 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 2khd h LYS 41 CO 0.62 0.78 0.61 0.00 -2.27 0.00 0.00 179.45 179.19 2khd h ALA 42 N 1.28 1.37 -0.51 5.00 0.00 -1.94 -0.25 119.26 124.22 2khd h ALA 42 Ca 0.16 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2khd h ALA 42 Cb 0.40 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2khd h ALA 42 CO 0.01 0.33 -0.04 0.45 0.00 0.00 0.00 179.25 180.00 2khd h HIS 43 N 1.06 1.02 -0.64 0.00 3.86 -1.89 -2.29 115.15 116.28 2khd h HIS 43 Ca 0.44 -0.19 -0.05 0.00 -1.16 0.00 0.00 60.37 59.41 2khd h HIS 43 Cb 0.27 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 2khd h HIS 43 CO -0.01 0.96 0.21 -0.07 0.86 0.00 0.00 177.93 179.87 2khd h LEU 44 N 0.79 0.93 -0.73 2.43 3.38 -1.19 -2.00 115.31 118.92 2khd h LEU 44 Ca 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2khd h LEU 44 Cb 0.58 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2khd h LEU 44 CO 0.03 0.89 0.41 -0.33 0.09 0.00 0.00 178.44 179.53 2khd h GLU 45 N 0.92 1.01 0.07 1.13 4.39 -0.92 0.44 114.58 121.62 2khd h GLU 45 Ca 0.21 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 2khd h GLU 45 Cb 0.29 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2khd h GLU 45 CO -0.01 0.75 -0.03 0.78 -1.16 0.00 0.00 179.01 179.34 2khd h GLY 46 N 1.00 -0.09 1.45 -3.84 0.00 -1.10 -1.90 103.07 98.59 2khd h GLY 46 Ca 0.26 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 2khd h GLY 46 CO -0.04 -0.03 -0.08 0.50 0.00 0.00 0.00 176.54 176.89 2khd h LYS 47 N -0.24 0.66 -0.88 4.80 1.57 -1.18 -2.70 116.57 118.60 2khd h LYS 47 Ca -0.01 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2khd h LYS 47 Cb 0.21 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2khd h LYS 47 CO 0.01 0.74 0.58 1.25 -0.57 0.00 0.00 179.45 181.46 2khd h LEU 48 N 0.61 0.99 -1.74 2.94 5.85 0.14 -1.46 115.31 122.65 2khd h LEU 48 Ca 0.11 -0.02 0.19 0.00 0.84 0.00 0.00 57.88 59.00 2khd h LEU 48 Cb 0.50 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2khd h LEU 48 CO 0.03 0.71 0.53 0.00 -0.34 0.00 0.00 178.44 179.36 2khd h ALA 49 N 1.46 2.37 -0.67 1.25 0.00 -1.00 0.88 119.26 123.56 2khd h ALA 49 Ca 0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 2khd h ALA 49 Cb -0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2khd h ALA 49 CO -0.08 -0.60 0.10 0.93 0.00 0.00 0.00 179.25 179.60 2khd h GLU 50 N 0.23 1.11 -0.69 0.00 4.39 -1.36 -2.28 114.58 115.98 2khd h GLU 50 Ca 0.38 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2khd h GLU 50 Cb 1.14 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 2khd h GLU 50 CO -0.08 1.02 0.30 1.88 -1.16 0.00 0.00 179.01 180.96 2khd h TYR 51 N 1.03 1.02 -0.38 4.33 -1.99 -0.88 -0.16 116.97 119.94 2khd h TYR 51 Ca 0.20 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 2khd h TYR 51 Cb 0.46 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 2khd h TYR 51 CO 0.03 0.78 0.12 0.82 -0.00 0.00 0.00 178.16 179.92 2khd h ILE 52 N 0.97 1.21 -0.35 -2.88 1.08 -1.25 0.82 117.51 117.11 2khd h ILE 52 Ca 0.23 -0.69 -0.05 0.00 -0.39 0.00 0.00 64.86 63.96 2khd h ILE 52 Cb 0.18 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 2khd h ILE 52 CO -0.02 0.24 0.02 0.77 -0.69 0.00 0.00 178.15 178.47 2khd h SER 53 N 0.47 0.58 -0.52 1.72 4.64 -1.19 -2.12 113.55 117.14 2khd h SER 53 Ca 0.12 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 61.09 2khd h SER 53 Cb 0.25 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2khd h SER 53 CO -0.00 0.72 0.07 -0.07 -0.87 0.00 0.00 176.83 176.68 2khd h LEU 54 N 0.41 0.84 -0.02 5.97 3.38 -0.91 -1.46 115.31 123.52 2khd h LEU 54 Ca 0.10 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2khd h LEU 54 Cb 0.41 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2khd h LEU 54 CO 0.01 0.90 0.01 0.00 0.09 0.00 0.00 178.44 179.46 2khd h ALA 55 N 0.97 0.03 -0.42 1.53 0.00 -0.74 0.42 119.26 121.04 2khd h ALA 55 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2khd h ALA 55 Cb 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2khd h ALA 55 CO 0.01 -0.44 0.07 0.87 0.00 0.00 0.00 179.25 179.76 2khd h LYS 56 N -0.03 0.69 -0.18 0.00 1.57 -1.35 0.36 116.57 117.64 2khd h LYS 56 Ca 0.01 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 2khd h LYS 56 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2khd h LYS 56 CO -0.00 0.73 0.01 0.37 -0.57 0.00 0.00 179.45 179.98 2khd h GLN 57 N 0.55 0.31 -0.32 3.15 4.15 -1.14 -3.13 115.11 118.68 2khd h GLN 57 Ca 0.13 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 2khd h GLN 57 Cb 0.37 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2khd h GLN 57 CO 0.01 0.51 0.06 0.28 -1.93 0.00 0.00 178.83 177.76 2khd h VAL 58 N 0.07 1.23 -3.31 2.39 2.07 -0.08 -3.42 116.25 115.20 2khd h VAL 58 Ca 0.05 -0.79 -0.48 0.00 0.82 0.00 0.00 66.70 66.31 2khd h VAL 58 Cb 0.36 1.13 -0.36 0.00 -1.52 0.00 0.00 31.29 30.91 2khd h VAL 58 CO 0.01 0.26 -0.79 -0.47 0.02 0.00 0.00 177.57 176.60 2khd s TYR 59 N -5.22 1.12 0.54 1.57 5.04 0.12 -5.07 117.35 115.45 2khd s TYR 59 Ca -0.13 -0.45 -0.21 0.00 -2.44 0.00 0.00 57.07 53.85 2khd s TYR 59 Cb 0.09 -0.97 -0.05 0.00 0.35 0.00 0.00 41.96 41.37 2khd s TYR 59 CO 0.75 -0.35 1.21 0.00 -1.34 0.00 0.00 175.55 175.82 2khd s ALA 60 N 1.40 2.73 -1.39 3.97 0.00 -1.23 -3.33 121.76 123.91 2khd s ALA 60 Ca -0.02 1.02 -0.08 0.00 0.00 0.00 0.00 51.96 52.88 2khd s ALA 60 Cb -0.13 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2khd s ALA 60 CO -0.03 -0.99 0.36 0.27 0.00 0.00 0.00 175.76 175.37 2khd n ASN 61 N -1.14 -1.04 -4.75 0.00 6.94 -1.26 -4.88 115.26 109.12 2khd n ASN 61 Ca 0.11 -1.14 -0.40 0.00 -0.02 0.00 0.00 54.58 53.13 2khd n ASN 61 Cb 0.49 -2.41 -0.06 0.00 -2.36 0.00 0.00 39.78 35.44 2khd n ASN 61 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2khd s VAL 62 N -3.98 3.98 -0.13 3.53 0.11 -1.21 -5.04 120.40 117.66 2khd s VAL 62 Ca 0.13 1.98 -0.02 0.00 -2.93 0.00 0.00 61.98 61.14 2khd s VAL 62 Cb -0.06 -4.25 -0.03 0.00 -1.53 0.00 0.00 36.38 30.51 2khd s VAL 62 CO 0.93 0.46 -0.06 -1.61 -3.33 0.00 0.00 175.10 171.50 2khd s GLU 63 N -1.27 3.41 0.16 1.54 2.02 -1.26 -4.98 118.70 118.32 2khd s GLU 63 Ca 0.42 -0.55 -0.09 0.00 0.02 0.00 0.00 54.97 54.77 2khd s GLU 63 Cb -0.27 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 31.17 2khd s GLU 63 CO 0.33 0.35 0.29 1.52 0.02 0.00 0.00 175.26 177.76 2khd s TYR 64 N 0.06 0.33 0.03 1.61 1.13 -1.26 -1.16 117.35 118.10 2khd s TYR 64 Ca -0.01 -0.70 0.00 0.00 -1.41 0.00 0.00 57.07 54.95 2khd s TYR 64 Cb -0.14 -0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.67 2khd s TYR 64 CO 0.03 -0.71 -0.04 -1.21 -2.51 0.00 0.00 175.55 171.11 2khd s GLU 65 N -3.95 0.41 -0.08 -3.49 2.02 -0.22 -4.99 118.70 108.39 2khd s GLU 65 Ca 0.15 -0.75 0.03 0.00 0.02 0.00 0.00 54.97 54.42 2khd s GLU 65 Cb 0.03 0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.33 2khd s GLU 65 CO -0.02 -0.04 -0.19 0.54 0.02 0.00 0.00 175.26 175.57 2khd s VAL 66 N -1.92 1.65 0.92 2.63 0.11 -1.26 -0.80 120.40 121.73 2khd s VAL 66 Ca -0.11 -0.78 -0.14 0.00 -2.93 0.00 0.00 61.98 58.02 2khd s VAL 66 Cb -0.07 -1.44 0.15 0.00 -1.53 0.00 0.00 36.38 33.49 2khd s VAL 66 CO -0.02 0.47 1.18 0.00 -3.33 0.00 0.00 175.10 173.40 2khd s ALA 67 N 0.43 1.97 0.32 1.54 0.00 -0.76 -4.97 121.76 120.28 2khd s ALA 67 Ca -0.16 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 2khd s ALA 67 Cb -0.17 -2.95 -0.13 0.00 0.00 0.00 0.00 23.12 19.88 2khd s ALA 67 CO 0.06 -2.29 1.27 -2.30 0.00 0.00 0.00 175.76 172.50 2khd n PRO 68 N -3.75 2.01 -4.59 0.00 -0.02 -1.26 -4.87 135.00 122.52 2khd n PRO 68 Ca 0.09 0.71 -0.24 0.00 -2.02 0.00 0.00 63.50 62.04 2khd n PRO 68 Cb 0.60 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.91 1.11 0.55 -1.45 1.01 -1.26 -4.87 120.40 114.59 2khd s VAL 69 Ca 0.58 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 2khd s VAL 69 Cb -0.60 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 2khd s VAL 69 CO 0.60 0.34 0.85 0.00 0.00 0.00 0.00 175.10 176.89 2khd s ALA 70 N 0.44 3.36 0.20 5.51 0.00 -1.26 -4.96 121.76 125.05 2khd s ALA 70 Ca -0.10 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 2khd s ALA 70 Cb -0.13 -2.57 0.13 0.00 0.00 0.00 0.00 23.12 20.55 2khd s ALA 70 CO 0.03 -0.65 1.76 -0.44 0.00 0.00 0.00 175.76 176.46 2khd h ASP 71 N -0.03 1.02 -0.57 0.00 3.32 -2.00 -2.36 116.42 115.79 2khd h ASP 71 Ca -0.46 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.42 2khd h ASP 71 Cb 1.24 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2khd h ASP 71 CO 0.61 0.91 0.00 0.59 -1.72 0.00 0.00 179.24 179.63 2khd n ASN 72 N -4.34 5.51 -4.67 6.45 3.02 -1.26 -2.17 115.26 117.81 2khd n ASN 72 Ca 0.06 -2.85 -0.43 0.00 -0.03 0.00 0.00 54.58 51.33 2khd n ASN 72 Cb 0.18 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 38.67 2khd n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2khd n ALA 73 N 0.67 0.90 0.61 5.41 0.00 -0.89 -4.81 120.51 122.40 2khd n ALA 73 Ca 0.27 0.37 0.07 0.00 0.00 0.00 0.00 53.44 54.16 2khd n ALA 73 Cb 1.14 -2.20 0.05 0.00 0.00 0.00 0.00 19.45 18.44 2khd n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2khd n THR 74 N 0.50 0.00 -4.02 0.00 -2.24 -1.25 -4.19 114.28 103.07 2khd n THR 74 Ca 0.07 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 61.30 2khd n THR 74 Cb 0.34 1.28 -0.09 0.00 -2.10 0.00 0.00 70.33 69.76 2khd n THR 74 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2khd s GLU 75 N -1.32 0.68 -0.06 -0.78 -1.05 -1.26 -0.29 118.70 114.62 2khd s GLU 75 Ca 0.16 -1.15 0.02 0.00 -0.15 0.00 0.00 54.97 53.85 2khd s GLU 75 Cb 0.12 0.25 0.01 0.00 -0.44 0.00 0.00 34.13 34.07 2khd s GLU 75 CO 0.22 -0.16 -0.11 -1.17 0.95 0.00 0.00 175.26 175.00 2khd s LEU 76 N -2.90 1.60 -0.27 1.83 2.96 0.09 -4.94 118.68 117.05 2khd s LEU 76 Ca 0.07 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 2khd s LEU 76 Cb 0.07 -0.74 0.03 0.00 0.50 0.00 0.00 46.19 46.06 2khd s LEU 76 CO -0.10 0.02 -0.03 -2.28 -1.32 0.00 0.00 176.35 172.64 2khd s HIS 77 N 0.67 3.13 0.09 5.38 5.65 -1.26 -2.65 115.29 126.29 2khd s HIS 77 Ca -0.13 -1.60 0.02 0.00 0.25 0.00 0.00 55.06 53.60 2khd s HIS 77 Cb -0.15 -2.09 -0.04 0.00 -1.18 0.00 0.00 32.58 29.12 2khd s HIS 77 CO 0.03 -0.74 -0.07 0.00 -0.65 0.00 0.00 174.74 173.31 2khd s ALA 78 N 1.32 0.94 -0.00 1.58 0.00 -1.09 -1.83 121.76 122.67 2khd s ALA 78 Ca -0.01 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.69 2khd s ALA 78 Cb -0.18 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2khd s ALA 78 CO -0.03 -0.22 -0.16 0.50 0.00 0.00 0.00 175.76 175.85 2khd s ARG 79 N -3.70 1.24 0.06 0.00 6.06 0.02 -2.20 118.95 120.44 2khd s ARG 79 Ca 0.10 -0.62 0.07 0.00 -2.50 0.00 0.00 55.73 52.78 2khd s ARG 79 Cb 0.04 -1.22 -0.03 0.00 0.06 0.00 0.00 34.95 33.80 2khd s ARG 79 CO -0.05 0.33 -0.19 -0.06 -2.50 0.00 0.00 175.30 172.83 2khd s PHE 80 N -0.47 1.66 -0.17 5.12 0.40 -0.78 -1.06 117.98 122.69 2khd s PHE 80 Ca 0.06 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 2khd s PHE 80 Cb -0.07 -0.97 -0.02 0.00 0.51 0.00 0.00 43.02 42.47 2khd s PHE 80 CO -0.00 0.11 -0.03 0.21 0.70 0.00 0.00 175.22 176.21 2khd s LYS 81 N -1.39 3.62 0.07 0.44 2.20 -0.31 0.06 119.74 124.44 2khd s LYS 81 Ca 0.06 -0.54 0.08 0.00 -0.36 0.00 0.00 55.97 55.21 2khd s LYS 81 Cb -0.09 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.24 2khd s LYS 81 CO 0.02 0.14 -0.21 -0.06 -0.36 0.00 0.00 175.35 174.89 2khd s PHE 82 N 0.64 1.78 0.23 4.03 0.08 -1.07 -4.33 117.98 119.33 2khd s PHE 82 Ca -0.02 -0.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.60 2khd s PHE 82 Cb -0.14 -1.03 0.23 0.00 -0.57 0.00 0.00 43.02 41.51 2khd s PHE 82 CO 0.02 0.14 1.65 1.49 -0.10 0.00 0.00 175.22 178.42 2khd h GLU 83 N 4.54 0.74 -4.59 0.44 4.81 -1.83 -3.40 114.58 115.30 2khd h GLU 83 Ca -0.44 -0.29 -0.22 0.00 -0.13 0.00 0.00 59.36 58.29 2khd h GLU 83 Cb 1.17 -0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.36 2khd h GLU 83 CO 0.42 0.89 -0.67 0.14 -0.73 0.00 0.00 179.01 179.05 2khd s VAL 84 N -4.63 0.49 -0.32 0.32 -7.23 -1.26 -4.81 120.40 102.95 2khd s VAL 84 Ca -0.09 -1.92 0.26 0.00 -1.81 0.00 0.00 61.98 58.42 2khd s VAL 84 Cb 0.13 -1.87 0.29 0.00 0.56 0.00 0.00 36.38 35.49 2khd s VAL 84 CO 0.83 -0.68 1.79 0.77 -0.31 0.00 0.00 175.10 177.49 2khd h SER 85 N 2.89 0.00 -0.76 4.85 4.64 -1.97 -3.04 113.55 120.16 2khd h SER 85 Ca -0.35 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 2khd h SER 85 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 2khd h SER 85 CO 0.63 0.00 0.34 0.00 -0.87 0.00 0.00 176.83 176.93 2khd h ALA 86 N 2.20 0.99 -0.02 5.18 0.00 -1.99 -2.02 119.26 123.60 2khd h ALA 86 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2khd h ALA 86 Cb 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2khd h ALA 86 CO 0.00 0.58 -0.51 0.93 0.00 0.00 0.00 179.25 180.25 2khd h GLU 87 N 1.09 0.04 -0.21 0.00 3.07 -1.96 -2.58 114.58 114.03 2khd h GLU 87 Ca 0.26 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 2khd h GLU 87 Cb 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2khd h GLU 87 CO -0.03 0.54 0.10 -0.22 -1.40 0.00 0.00 179.01 178.00 2khd h LYS 88 N 0.04 0.31 -0.18 2.33 3.64 -1.46 0.65 116.57 121.89 2khd h LYS 88 Ca -0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2khd h LYS 88 Cb 0.91 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 2khd h LYS 88 CO 0.07 0.34 0.04 1.25 -2.27 0.00 0.00 179.45 178.88 2khd h LEU 89 N 0.21 0.28 -0.29 5.20 5.85 -1.34 0.27 115.31 125.47 2khd h LEU 89 Ca 0.07 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 2khd h LEU 89 Cb 0.13 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2khd h LEU 89 CO -0.01 0.44 -0.02 0.40 -0.34 0.00 0.00 178.44 178.91 2khd h ILE 90 N 0.10 1.26 -0.34 4.05 2.04 -1.36 -0.42 117.51 122.86 2khd h ILE 90 Ca 0.06 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 2khd h ILE 90 Cb 0.28 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2khd h ILE 90 CO 0.00 0.32 0.09 0.15 0.00 0.00 0.00 178.15 178.71 2khd h PHE 91 N 0.31 0.56 -0.45 1.37 3.57 0.38 -2.20 116.94 120.48 2khd h PHE 91 Ca 0.08 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 2khd h PHE 91 Cb 0.47 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2khd h PHE 91 CO 0.04 0.57 -0.09 1.49 -2.23 0.00 0.00 178.31 178.10 2khd h GLU 92 N 0.39 0.80 -0.48 1.11 4.57 -0.42 -2.10 114.58 118.45 2khd h GLU 92 Ca 0.11 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 2khd h GLU 92 Cb 0.29 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2khd h GLU 92 CO 0.00 0.86 0.22 1.25 -1.18 0.00 0.00 179.01 180.16 2khd h LEU 93 N 0.73 0.64 -0.48 1.64 6.46 -0.87 -0.66 115.31 122.77 2khd h LEU 93 Ca 0.13 -0.15 -0.06 0.00 -0.12 0.00 0.00 57.88 57.68 2khd h LEU 93 Cb 0.57 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 2khd h LEU 93 CO 0.03 0.61 0.07 0.11 -0.62 0.00 0.00 178.44 178.64 2khd h LYS 94 N 0.63 0.80 -0.39 1.25 1.57 -1.22 -1.62 116.57 117.59 2khd h LYS 94 Ca 0.16 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2khd h LYS 94 Cb 0.15 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2khd h LYS 94 CO -0.02 0.81 0.06 1.79 -0.57 0.00 0.00 179.45 181.53 2khd h THR 95 N 0.67 1.24 -0.70 -0.16 1.35 -1.18 -2.17 112.91 111.97 2khd h THR 95 Ca 0.14 -0.86 -0.07 0.00 -0.55 0.00 0.00 66.41 65.07 2khd h THR 95 Cb 0.40 1.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.84 2khd h THR 95 CO 0.01 0.30 0.18 0.03 -0.25 0.00 0.00 175.52 175.78 2khd h ARG 96 N 0.50 1.10 -0.07 4.72 3.08 -1.05 -0.17 114.38 122.49 2khd h ARG 96 Ca 0.12 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 2khd h ARG 96 Cb 0.37 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 2khd h ARG 96 CO 0.01 0.97 0.04 0.00 -1.07 0.00 0.00 179.97 179.91 2khd h ALA 97 N 1.13 0.09 -0.48 0.04 0.00 -1.11 0.47 119.26 119.41 2khd h ALA 97 Ca 0.22 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2khd h ALA 97 Cb 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2khd h ALA 97 CO 0.00 -0.37 0.06 -0.07 0.00 0.00 0.00 179.25 178.86 2khd h LEU 98 N 0.02 0.77 -0.78 0.00 3.38 -1.25 0.56 115.31 118.02 2khd h LEU 98 Ca 0.02 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 2khd h LEU 98 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2khd h LEU 98 CO -0.00 0.85 -0.11 0.00 0.09 0.00 0.00 178.44 179.27 2khd h ALA 99 N 0.95 0.97 -0.09 1.53 0.00 -0.84 -2.13 119.26 119.64 2khd h ALA 99 Ca 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2khd h ALA 99 Cb 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2khd h ALA 99 CO 0.01 0.61 0.00 0.54 0.00 0.00 0.00 179.25 180.41 2khd n ARG 100 N -4.16 1.77 -1.34 0.00 1.74 0.16 -5.04 116.66 109.78 2khd n ARG 100 Ca 0.01 -1.14 0.18 0.00 -0.77 0.00 0.00 57.85 56.14 2khd n ARG 100 Cb 0.37 -1.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 2khd n ARG 100 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2khd n LEU 101 N 0.37 -0.66 -3.64 0.55 4.77 0.19 -5.00 117.00 113.58 2khd n LEU 101 Ca 0.18 1.45 -0.04 0.00 -0.03 0.00 0.00 56.01 57.57 2khd n LEU 101 Cb 0.37 -4.10 -0.07 0.00 -2.33 0.00 0.00 43.42 37.29 2khd n LEU 101 CO 0.15 -3.65 0.84 -1.83 -1.33 0.00 0.00 177.39 171.57 2khd s GLU 102 N -2.14 0.30 0.12 3.23 -1.05 -1.26 -4.72 118.70 113.18 2khd s GLU 102 Ca 0.00 0.44 -0.31 0.00 -0.15 0.00 0.00 54.97 54.94 2khd s GLU 102 Cb 0.00 0.11 -0.08 0.00 -0.44 0.00 0.00 34.13 33.72 2khd s GLU 102 CO 0.00 -0.05 1.39 -1.58 0.95 0.00 0.00 175.26 175.97 2khd s HIS 103 N 0.72 3.24 -0.12 4.83 5.65 -1.26 -5.01 115.29 123.34 2khd s HIS 103 Ca -0.02 0.96 -0.10 0.00 0.25 0.00 0.00 55.06 56.14 2khd s HIS 103 Cb -0.04 -3.68 0.03 0.00 -1.18 0.00 0.00 32.58 27.71 2khd s HIS 103 CO -0.12 -2.38 0.32 -1.58 -0.65 0.00 0.00 174.74 170.34 2khd s HIS 104 N 1.07 -0.37 -0.25 3.88 5.04 -1.26 -5.13 115.29 118.28 2khd s HIS 104 Ca 0.64 0.88 -0.22 0.00 -1.54 0.00 0.00 55.06 54.82 2khd s HIS 104 Cb -0.37 0.12 -0.01 0.00 0.04 0.00 0.00 32.58 32.36 2khd s HIS 104 CO 0.31 -0.19 0.72 -1.01 -2.34 0.00 0.00 174.74 172.23 2khd s HIS 105 N 0.34 3.30 0.17 3.88 3.76 -1.26 -4.93 115.29 120.54 2khd s HIS 105 Ca -0.01 0.97 -0.10 0.00 -0.15 0.00 0.00 55.06 55.76 2khd s HIS 105 Cb -0.03 -2.94 0.05 0.00 1.11 0.00 0.00 32.58 30.77 2khd s HIS 105 CO -0.01 -0.36 1.63 1.25 -0.85 0.00 0.00 174.74 176.40 2khd h HIS 106 N 7.78 1.11 -6.10 1.40 2.76 -2.03 -3.47 115.15 116.59 2khd h HIS 106 Ca -0.25 -0.19 -0.08 0.00 -2.20 0.00 0.00 60.37 57.65 2khd h HIS 106 Cb 1.11 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.78 2khd h HIS 106 CO 0.75 0.99 -1.01 1.58 -1.30 0.00 0.00 177.93 178.94 2khd n HIS 107 N -4.22 -1.50 0.00 5.26 -0.00 -1.26 -5.38 115.22 108.12 2khd n HIS 107 Ca 0.02 0.64 0.00 0.00 -0.00 0.00 0.00 57.72 58.39 2khd n HIS 107 Cb 0.34 -1.92 0.00 0.00 -0.00 0.00 0.00 29.99 28.41 2khd n HIS 107 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92