#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 6.43 0.23 7.83 0.15 -1.26 -4.88 113.70 122.20 2khd s SER 2 Ca 0.00 2.73 0.22 0.00 0.70 0.00 0.00 55.95 59.60 2khd s SER 2 Cb 0.00 -2.65 0.94 0.00 -1.71 0.00 0.00 66.02 62.60 2khd s SER 2 CO 0.00 -0.78 1.68 -0.46 1.20 0.00 0.00 173.24 174.89 2khd n ASN 3 N 0.35 0.59 -3.19 5.45 0.23 -1.26 -4.32 115.26 113.11 2khd n ASN 3 Ca 0.02 0.65 0.01 0.00 -0.53 0.00 0.00 54.58 54.73 2khd n ASN 3 Cb 0.42 -0.77 -0.01 0.00 -2.08 0.00 0.00 39.78 37.34 2khd n ASN 3 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2khd s GLN 4 N -3.28 0.78 0.26 -3.83 2.00 -1.26 -5.13 119.66 109.19 2khd s GLN 4 Ca 0.05 -0.19 -0.30 0.00 -2.00 0.00 0.00 55.36 52.91 2khd s GLN 4 Cb 0.09 0.11 -0.10 0.00 0.80 0.00 0.00 33.01 33.91 2khd s GLN 4 CO 0.38 -1.15 1.46 0.99 -0.50 0.00 0.00 175.29 176.47 2khd s THR 5 N 1.93 2.56 -0.09 -0.34 2.01 -1.26 -4.98 115.64 115.46 2khd s THR 5 Ca 0.16 0.47 -0.15 0.00 0.31 0.00 0.00 61.69 62.47 2khd s THR 5 Cb -0.04 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 2khd s THR 5 CO -0.09 0.08 0.39 0.00 -0.69 0.00 0.00 174.62 174.31 2khd n VAL 7 N 2.94 0.00 -3.58 0.00 3.14 -1.26 -5.09 118.33 114.47 2khd n VAL 7 Ca -0.11 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.26 2khd n VAL 7 Cb 0.52 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.26 2khd n VAL 7 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2khd s GLU 8 N -0.88 0.51 0.22 1.45 2.12 -1.26 -5.03 118.70 115.83 2khd s GLU 8 Ca 0.00 1.20 -0.06 0.00 0.36 0.00 0.00 54.97 56.46 2khd s GLU 8 Cb 0.00 0.64 0.20 0.00 0.26 0.00 0.00 34.13 35.23 2khd s GLU 8 CO 0.00 -0.16 1.75 -0.91 -0.54 0.00 0.00 175.26 175.40 2khd h ASN 9 N 7.65 1.00 -3.25 -1.70 2.35 -2.00 -3.44 115.58 116.19 2khd h ASN 9 Ca -0.19 -0.20 -0.57 0.00 -0.55 0.00 0.00 56.30 54.78 2khd h ASN 9 Cb 1.12 -0.26 0.17 0.00 0.05 0.00 0.00 38.32 39.40 2khd h ASN 9 CO 0.11 0.96 -0.19 1.21 -1.65 0.00 0.00 177.43 177.86 2khd n GLU 10 N -4.24 0.61 -2.64 0.81 4.07 -1.26 -4.14 120.64 113.84 2khd n GLU 10 Ca 0.05 0.24 -0.03 0.00 -0.06 0.00 0.00 57.16 57.37 2khd n GLU 10 Cb 0.25 -1.90 0.00 0.00 -0.06 0.00 0.00 31.44 29.73 2khd n GLU 10 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2khd n VAL 11 N -1.84-10.79 -3.17 6.31 0.31 -1.26 -5.05 118.33 102.83 2khd n VAL 11 Ca 0.12 1.36 -0.08 0.00 -0.01 0.00 0.00 64.34 65.73 2khd n VAL 11 Cb 0.48 -6.79 0.02 0.00 -0.91 0.00 0.00 33.84 26.64 2khd n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2khd n GLU 13 N -1.35 1.01 0.00 0.00 1.02 -1.26 -3.29 120.64 116.76 2khd n GLU 13 Ca 0.04 -0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.28 2khd n GLU 13 Cb 0.23 -1.31 0.55 0.00 -0.02 0.00 0.00 31.44 30.89 2khd n GLU 13 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2khd n ALA 14 N -0.80 2.13 -0.11 0.62 0.00 -1.26 -3.03 120.51 118.07 2khd n ALA 14 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 2khd n ALA 14 Cb 0.07 -1.36 0.22 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.91 0.52 3.71 0.00 0.00 -1.17 -4.94 105.19 102.41 2khd n GLY 16 Ca 0.04 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 1.11 3.41 -0.47 0.00 0.00 -1.26 -4.98 121.76 119.57 2khd s ALA 18 Ca 0.60 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 53.25 2khd s ALA 18 Cb -0.32 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.45 2khd s ALA 18 CO 0.29 -0.30 0.72 0.20 0.00 0.00 0.00 175.76 176.67 2khd s GLY 19 N 0.00 1.65 -0.05 0.00 0.00 -1.26 -4.89 107.32 102.77 2khd s GLY 19 Ca 0.51 -1.27 0.05 0.00 0.00 0.00 0.00 44.72 44.01 2khd s GLY 19 CO 0.36 1.66 0.95 -1.84 0.00 0.00 0.00 173.10 174.23 2khd n GLU 20 N 6.54 2.00 -0.03 2.90 0.28 -1.26 -3.97 120.64 127.10 2khd n GLU 20 Ca -0.01 -0.91 0.00 0.00 -0.16 0.00 0.00 57.16 56.09 2khd n GLU 20 Cb 0.47 -1.59 0.02 0.00 1.43 0.00 0.00 31.44 31.78 2khd n GLU 20 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2khd n ILE 21 N 0.18 0.08 -1.51 3.84 -5.35 -1.26 -4.86 119.36 110.49 2khd n ILE 21 Ca 0.08 -0.06 -0.30 0.00 -0.27 0.00 0.00 62.75 62.21 2khd n ILE 21 Cb 0.44 -0.20 -0.18 0.00 -1.74 0.00 0.00 39.64 37.96 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 0.32 -0.44 0.00 3.28 0.00 -1.25 -4.67 105.19 102.43 2khd n GLY 22 Ca 0.01 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2khd n GLY 22 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2khd n PHE 23 N 8.83 0.00 -1.78 1.61 -0.00 -1.26 -5.12 117.46 119.74 2khd n PHE 23 Ca 0.64 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.68 2khd n PHE 23 Cb 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.61 2khd n PHE 23 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 2khd n ILE 24 N 0.00 1.97 -1.97 -2.13 5.41 -1.26 -4.91 119.36 116.46 2khd n ILE 24 Ca 0.00 -0.49 -0.41 0.00 1.00 0.00 0.00 62.75 62.85 2khd n ILE 24 Cb 0.00 -1.98 -0.02 0.00 -0.71 0.00 0.00 39.64 36.93 2khd n ILE 24 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2khd s ILE 25 N -1.08 2.49 0.46 1.39 1.01 -1.26 -4.93 121.20 119.28 2khd s ILE 25 Ca 0.53 0.45 -0.25 0.00 0.00 0.00 0.00 60.65 61.39 2khd s ILE 25 Cb -0.47 -3.29 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 2khd s ILE 25 CO 0.63 0.09 1.40 -1.14 0.00 0.00 0.00 174.94 175.92 2khd n ARG 26 N 1.56 2.11 -1.71 2.79 0.63 -1.26 -4.88 116.66 115.90 2khd n ARG 26 Ca 0.04 0.76 -0.43 0.00 -0.92 0.00 0.00 57.85 57.30 2khd n ARG 26 Cb 0.40 -2.58 -0.03 0.00 0.45 0.00 0.00 32.46 30.70 2khd n ARG 26 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2khd n GLU 27 N -0.28 2.59 0.00 -0.14 1.02 -1.26 -4.93 120.64 117.64 2khd n GLU 27 Ca 0.06 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 2khd n GLU 27 Cb 0.42 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.10 2khd n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2khd n GLY 28 N 3.44 -0.01 5.42 0.62 0.00 -1.26 -5.16 105.19 108.25 2khd n GLY 28 Ca 0.15 -0.92 0.01 0.00 0.00 0.00 0.00 46.02 45.26 2khd n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2khd n ASP 29 N 0.00 -1.67 -4.53 1.61 8.00 -1.26 -3.85 116.55 114.85 2khd n ASP 29 Ca 0.00 0.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.17 2khd n ASP 29 Cb 0.00 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 40.72 2khd n ASP 29 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2khd s ASP 30 N -3.66 6.60 0.53 -2.24 1.01 -1.24 -4.99 116.67 112.67 2khd s ASP 30 Ca 0.00 -1.78 -0.06 0.00 0.71 0.00 0.00 52.55 51.42 2khd s ASP 30 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2khd s ASP 30 CO 0.00 -1.33 0.85 0.54 0.21 0.00 0.00 175.17 175.44 2khd s VAL 31 N 4.19 4.54 -0.05 -1.27 0.11 -1.25 -1.50 120.40 125.16 2khd s VAL 31 Ca 0.44 0.22 -0.04 0.00 -2.93 0.00 0.00 61.98 59.66 2khd s VAL 31 Cb -0.01 -3.75 0.01 0.00 -1.53 0.00 0.00 36.38 31.10 2khd s VAL 31 CO -0.07 -0.78 0.13 0.00 -3.33 0.00 0.00 175.10 171.05 2khd s ALA 32 N -2.86 -0.32 -0.06 1.54 0.00 0.74 -4.90 121.76 115.89 2khd s ALA 32 Ca 0.50 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 2khd s ALA 32 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2khd s ALA 32 CO 0.46 -0.07 0.13 -2.00 0.00 0.00 0.00 175.76 174.28 2khd s GLU 33 N 0.13 3.33 -0.08 0.00 2.12 -1.26 -0.15 118.70 122.80 2khd s GLU 33 Ca -0.01 -0.27 0.04 0.00 0.36 0.00 0.00 54.97 55.09 2khd s GLU 33 Cb -0.02 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.31 2khd s GLU 33 CO -0.00 0.72 -0.21 0.08 -0.54 0.00 0.00 175.26 175.31 2khd s VAL 34 N -1.13 1.79 -0.20 3.70 1.01 0.41 -4.97 120.40 121.01 2khd s VAL 34 Ca 0.20 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2khd s VAL 34 Cb -0.12 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2khd s VAL 34 CO 0.10 0.50 -0.04 -0.44 0.00 0.00 0.00 175.10 175.22 2khd s SER 35 N 0.28 4.43 0.12 3.32 0.01 -1.26 -2.60 113.70 117.99 2khd s SER 35 Ca -0.14 -0.31 0.10 0.00 1.31 0.00 0.00 55.95 56.91 2khd s SER 35 Cb -0.16 -1.74 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 2khd s SER 35 CO 0.06 0.04 -0.25 -0.76 0.41 0.00 0.00 173.24 172.74 2khd s LEU 36 N 1.11 2.38 0.06 2.44 1.43 -1.03 -4.99 118.68 120.07 2khd s LEU 36 Ca 0.01 -0.69 0.06 0.00 -1.03 0.00 0.00 54.13 52.48 2khd s LEU 36 Cb -0.15 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 2khd s LEU 36 CO -0.00 0.19 -0.16 -0.36 0.23 0.00 0.00 176.35 176.25 2khd s PHE 37 N -1.05 1.39 -0.03 0.29 0.08 -1.26 -2.05 117.98 115.34 2khd s PHE 37 Ca 0.15 -0.39 -0.22 0.00 0.12 0.00 0.00 56.93 56.58 2khd s PHE 37 Cb -0.10 -0.80 0.07 0.00 -0.57 0.00 0.00 43.02 41.62 2khd s PHE 37 CO 0.06 0.07 1.01 0.41 -0.10 0.00 0.00 175.22 176.67 2khd n GLY 38 N 1.61 0.26 0.00 4.36 0.00 0.15 -4.90 105.19 106.67 2khd n GLY 38 Ca -0.19 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.84 0.00 -4.94 1.61 3.41 -1.26 -4.36 113.62 107.25 2khd n SER 39 Ca 0.04 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.40 2khd n SER 39 Cb 0.45 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.45 2khd n SER 39 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2khd s ASP 40 N -1.00 5.15 0.26 4.04 1.47 -1.26 -4.05 116.67 121.27 2khd s ASP 40 Ca 0.00 0.40 -0.01 0.00 1.18 0.00 0.00 52.55 54.12 2khd s ASP 40 Cb 0.00 -1.21 0.33 0.00 -0.34 0.00 0.00 42.92 41.70 2khd s ASP 40 CO 0.00 -1.33 1.73 0.50 0.68 0.00 0.00 175.17 176.76 2khd h LYS 41 N -0.30 0.73 -0.86 2.11 3.64 -1.53 -2.93 116.57 117.42 2khd h LYS 41 Ca -0.44 -0.22 0.05 0.00 -1.27 0.00 0.00 60.65 58.77 2khd h LYS 41 Cb 1.29 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.99 2khd h LYS 41 CO 0.58 0.80 0.54 0.00 -2.27 0.00 0.00 179.45 179.10 2khd h ALA 42 N 1.24 1.17 -0.63 5.00 0.00 -1.94 -1.04 119.26 123.07 2khd h ALA 42 Ca 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2khd h ALA 42 Cb 0.53 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2khd h ALA 42 CO 0.03 0.32 0.24 1.25 0.00 0.00 0.00 179.25 181.09 2khd h HIS 43 N 1.01 0.96 -0.75 0.00 -0.00 -1.91 -2.26 115.15 112.20 2khd h HIS 43 Ca 0.37 -0.08 -0.05 0.00 -0.00 0.00 0.00 60.37 60.61 2khd h HIS 43 Cb 0.12 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.21 2khd h HIS 43 CO -0.03 0.77 0.28 -0.07 -0.00 0.00 0.00 177.93 178.88 2khd h LEU 44 N 0.88 1.05 -0.86 0.26 3.38 -1.29 -2.25 115.31 116.48 2khd h LEU 44 Ca 0.21 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2khd h LEU 44 Cb 0.22 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2khd h LEU 44 CO -0.01 0.95 0.36 -0.33 0.09 0.00 0.00 178.44 179.49 2khd h GLU 45 N 1.09 1.18 -0.33 1.13 5.08 -0.89 -0.15 114.58 121.68 2khd h GLU 45 Ca 0.25 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2khd h GLU 45 Cb 0.24 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2khd h GLU 45 CO -0.02 0.93 0.06 0.78 -1.00 0.00 0.00 179.01 179.77 2khd h GLY 46 N 1.18 0.59 1.44 -3.84 0.00 -1.05 -2.23 103.07 99.16 2khd h GLY 46 Ca 0.27 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 2khd h GLY 46 CO -0.03 0.36 -0.02 1.70 0.00 0.00 0.00 176.54 178.55 2khd h LYS 47 N 0.38 0.69 -0.86 4.80 1.63 -1.14 -2.55 116.57 119.53 2khd h LYS 47 Ca 0.10 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 2khd h LYS 47 Cb 0.34 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 2khd h LYS 47 CO 0.00 0.71 0.45 1.25 -3.45 0.00 0.00 179.45 178.42 2khd h LEU 48 N 0.64 1.08 -1.60 5.20 5.85 -0.72 -1.92 115.31 123.84 2khd h LEU 48 Ca 0.13 -0.10 0.16 0.00 0.84 0.00 0.00 57.88 58.90 2khd h LEU 48 Cb 0.43 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2khd h LEU 48 CO 0.02 0.87 0.51 0.00 -0.34 0.00 0.00 178.44 179.50 2khd h ALA 49 N 1.30 2.16 -0.60 1.25 0.00 -0.97 0.04 119.26 122.44 2khd h ALA 49 Ca 0.30 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2khd h ALA 49 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2khd h ALA 49 CO -0.05 -0.37 0.09 0.93 0.00 0.00 0.00 179.25 179.85 2khd h GLU 50 N 0.39 1.01 -0.93 0.00 4.39 -1.39 -2.65 114.58 115.40 2khd h GLU 50 Ca 0.38 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2khd h GLU 50 Cb 0.91 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 2khd h GLU 50 CO -0.12 0.95 0.56 1.88 -1.16 0.00 0.00 179.01 181.13 2khd h TYR 51 N 0.91 1.22 -0.51 4.33 -1.99 -0.99 -2.27 116.97 117.66 2khd h TYR 51 Ca 0.18 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.88 2khd h TYR 51 Cb 0.44 -0.40 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 2khd h TYR 51 CO 0.03 0.80 0.18 0.82 -0.00 0.00 0.00 178.16 180.00 2khd h ILE 52 N 1.28 1.22 0.17 -2.88 1.08 -1.19 0.22 117.51 117.41 2khd h ILE 52 Ca 0.33 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 2khd h ILE 52 Cb -0.06 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 2khd h ILE 52 CO -0.06 0.27 -0.08 0.28 -0.69 0.00 0.00 178.15 177.86 2khd h SER 53 N 0.68 -0.19 -0.57 1.72 0.02 -1.10 0.46 113.55 114.57 2khd h SER 53 Ca 0.17 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 2khd h SER 53 Cb 0.23 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2khd h SER 53 CO -0.01 -0.12 0.10 -0.07 -1.14 0.00 0.00 176.83 175.59 2khd h LEU 54 N -0.25 0.90 -0.76 5.07 4.07 -1.33 -1.90 115.31 121.11 2khd h LEU 54 Ca -0.02 -0.26 -0.07 0.00 0.08 0.00 0.00 57.88 57.61 2khd h LEU 54 Cb 0.19 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 2khd h LEU 54 CO 0.04 0.93 0.14 0.00 -1.08 0.00 0.00 178.44 178.47 2khd h ALA 55 N 1.01 0.98 -0.36 1.53 0.00 -0.31 -0.05 119.26 122.05 2khd h ALA 55 Ca 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2khd h ALA 55 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2khd h ALA 55 CO 0.01 0.65 0.11 -0.22 0.00 0.00 0.00 179.25 179.80 2khd h LYS 56 N 1.02 0.57 -0.40 0.00 3.64 0.19 0.67 116.57 122.25 2khd h LYS 56 Ca 0.21 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2khd h LYS 56 Cb 0.39 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2khd h LYS 56 CO 0.01 0.59 0.03 1.96 -2.27 0.00 0.00 179.45 179.76 2khd h GLN 57 N 0.44 0.69 -0.33 1.90 7.50 -1.12 -3.03 115.11 121.15 2khd h GLN 57 Ca 0.12 -0.20 -0.02 0.00 0.50 0.00 0.00 58.65 59.04 2khd h GLN 57 Cb 0.26 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.70 2khd h GLN 57 CO -0.00 0.76 0.13 0.28 -1.50 0.00 0.00 178.83 178.49 2khd h VAL 58 N 0.53 1.19 -3.27 -0.54 2.07 -0.84 -3.42 116.25 111.97 2khd h VAL 58 Ca 0.12 -0.58 -0.41 0.00 0.82 0.00 0.00 66.70 66.65 2khd h VAL 58 Cb 0.43 0.95 -0.39 0.00 -1.52 0.00 0.00 31.29 30.76 2khd h VAL 58 CO 0.01 0.20 -0.75 -0.47 0.02 0.00 0.00 177.57 176.58 2khd s TYR 59 N -5.53 0.38 0.62 1.57 5.04 0.22 -5.09 117.35 114.56 2khd s TYR 59 Ca -0.13 -0.00 -0.16 0.00 -2.44 0.00 0.00 57.07 54.33 2khd s TYR 59 Cb 0.09 -0.66 -0.02 0.00 0.35 0.00 0.00 41.96 41.73 2khd s TYR 59 CO 0.74 -0.28 1.12 0.00 -1.34 0.00 0.00 175.55 175.78 2khd s ALA 60 N 2.07 2.54 -1.48 3.97 0.00 -1.18 -3.31 121.76 124.37 2khd s ALA 60 Ca 0.05 0.63 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 2khd s ALA 60 Cb -0.12 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.69 2khd s ALA 60 CO -0.05 -1.12 0.72 0.09 0.00 0.00 0.00 175.76 175.40 2khd n ASN 61 N -2.08 -5.71 -4.75 0.00 3.02 -1.26 -4.93 115.26 99.54 2khd n ASN 61 Ca 0.11 -0.39 -0.41 0.00 -0.03 0.00 0.00 54.58 53.87 2khd n ASN 61 Cb 0.52 -4.60 -0.04 0.00 -0.61 0.00 0.00 39.78 35.05 2khd n ASN 61 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2khd s VAL 62 N -3.18 3.39 -0.01 2.41 0.11 -1.21 -5.03 120.40 116.88 2khd s VAL 62 Ca 0.40 1.32 0.06 0.00 -2.93 0.00 0.00 61.98 60.82 2khd s VAL 62 Cb -0.18 -3.84 -0.03 0.00 -1.53 0.00 0.00 36.38 30.80 2khd s VAL 62 CO 0.49 0.28 -0.17 -0.70 -3.33 0.00 0.00 175.10 171.67 2khd s GLU 63 N -1.12 2.28 0.11 1.54 2.12 -1.26 -5.02 118.70 117.35 2khd s GLU 63 Ca 0.48 -0.84 -0.10 0.00 0.36 0.00 0.00 54.97 54.87 2khd s GLU 63 Cb -0.33 -2.26 0.00 0.00 0.26 0.00 0.00 34.13 31.80 2khd s GLU 63 CO 0.42 0.58 0.25 1.52 -0.54 0.00 0.00 175.26 177.49 2khd s TYR 64 N -0.80 0.15 0.01 5.30 1.13 -1.26 -2.45 117.35 119.43 2khd s TYR 64 Ca 0.13 -0.54 -0.01 0.00 -1.41 0.00 0.00 57.07 55.23 2khd s TYR 64 Cb -0.10 -0.00 -0.01 0.00 -1.10 0.00 0.00 41.96 40.74 2khd s TYR 64 CO 0.02 -0.61 0.01 -2.00 -2.51 0.00 0.00 175.55 170.46 2khd s GLU 65 N -3.88 0.28 -0.12 -3.49 2.56 -1.00 -4.97 118.70 108.08 2khd s GLU 65 Ca 0.07 -0.43 0.02 0.00 0.00 0.00 0.00 54.97 54.64 2khd s GLU 65 Cb 0.04 0.11 -0.00 0.00 2.00 0.00 0.00 34.13 36.27 2khd s GLU 65 CO -0.09 -0.05 -0.20 0.14 -0.56 0.00 0.00 175.26 174.51 2khd s VAL 66 N -1.12 2.42 1.04 3.70 -7.23 -1.26 -1.56 120.40 116.40 2khd s VAL 66 Ca -0.12 -0.88 -0.14 0.00 -1.81 0.00 0.00 61.98 59.03 2khd s VAL 66 Cb -0.07 -1.97 0.21 0.00 0.56 0.00 0.00 36.38 35.10 2khd s VAL 66 CO -0.00 0.54 1.11 0.00 -0.31 0.00 0.00 175.10 176.44 2khd s ALA 67 N 0.43 0.96 0.11 1.32 0.00 -0.99 -4.91 121.76 118.68 2khd s ALA 67 Ca -0.14 -0.54 -0.36 0.00 0.00 0.00 0.00 51.96 50.92 2khd s ALA 67 Cb -0.17 -3.04 -0.16 0.00 0.00 0.00 0.00 23.12 19.75 2khd s ALA 67 CO 0.06 -2.96 1.43 -2.30 0.00 0.00 0.00 175.76 171.99 2khd n PRO 68 N -4.27 1.52 -4.46 0.00 -0.02 -1.26 -4.80 135.00 121.71 2khd n PRO 68 Ca 0.07 0.55 -0.22 0.00 -2.02 0.00 0.00 63.50 61.88 2khd n PRO 68 Cb 0.58 -2.24 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.68 0.90 0.55 -1.45 1.01 -1.26 -4.91 120.40 115.92 2khd s VAL 69 Ca 0.82 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 2khd s VAL 69 Cb -0.85 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2khd s VAL 69 CO 0.44 0.28 0.91 0.00 0.00 0.00 0.00 175.10 176.73 2khd s ALA 70 N 0.30 3.24 0.30 5.51 0.00 -1.26 -4.96 121.76 124.88 2khd s ALA 70 Ca -0.06 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.64 2khd s ALA 70 Cb -0.10 -2.85 0.46 0.00 0.00 0.00 0.00 23.12 20.62 2khd s ALA 70 CO 0.01 -0.51 1.83 0.22 0.00 0.00 0.00 175.76 177.31 2khd h ASP 71 N -0.01 0.67 -0.52 0.00 3.58 -2.00 -1.88 116.42 116.26 2khd h ASP 71 Ca -0.45 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 56.87 2khd h ASP 71 Cb 1.20 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2khd h ASP 71 CO 0.62 0.70 0.00 -0.46 -2.88 0.00 0.00 179.24 177.22 2khd n ASN 72 N -4.26 4.55 -4.76 2.28 0.23 -1.26 -2.07 115.26 109.96 2khd n ASN 72 Ca 0.03 -2.57 -0.39 0.00 -0.53 0.00 0.00 54.58 51.11 2khd n ASN 72 Cb 0.25 -0.59 0.02 0.00 -2.08 0.00 0.00 39.78 37.37 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 -2.13 3.08 -2.17 -2.53 0.00 -0.71 -4.85 121.76 112.45 2khd s ALA 73 Ca 0.45 1.36 0.21 0.00 0.00 0.00 0.00 51.96 53.97 2khd s ALA 73 Cb 0.31 -3.56 0.06 0.00 0.00 0.00 0.00 23.12 19.93 2khd s ALA 73 CO 0.17 -1.17 1.08 0.25 0.00 0.00 0.00 175.76 176.09 2khd n THR 74 N -0.46 0.00 -3.80 0.00 -2.24 -1.26 -3.91 114.28 102.62 2khd n THR 74 Ca 0.07 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 2khd n THR 74 Cb 0.43 1.32 -0.07 0.00 -2.10 0.00 0.00 70.33 69.91 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 -2.13 0.86 -0.03 -0.78 -1.05 -1.26 0.31 118.70 114.63 2khd s GLU 75 Ca 0.20 -0.81 0.02 0.00 -0.15 0.00 0.00 54.97 54.23 2khd s GLU 75 Cb 0.17 0.36 0.01 0.00 -0.44 0.00 0.00 34.13 34.23 2khd s GLU 75 CO 0.43 -0.29 -0.09 -1.17 0.95 0.00 0.00 175.26 175.09 2khd s LEU 76 N -2.65 1.73 -0.18 1.83 0.20 -0.87 -4.91 118.68 113.83 2khd s LEU 76 Ca 0.02 -0.20 -0.08 0.00 0.69 0.00 0.00 54.13 54.56 2khd s LEU 76 Cb 0.03 -0.59 -0.04 0.00 -0.43 0.00 0.00 46.19 45.15 2khd s LEU 76 CO -0.09 0.05 0.07 -1.00 -0.29 0.00 0.00 176.35 175.09 2khd s HIS 77 N 0.31 3.28 0.04 5.38 3.76 -1.26 -2.48 115.29 124.31 2khd s HIS 77 Ca -0.05 0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.94 2khd s HIS 77 Cb -0.10 -2.07 -0.02 0.00 1.11 0.00 0.00 32.58 31.50 2khd s HIS 77 CO 0.01 0.20 0.05 0.00 -0.85 0.00 0.00 174.74 174.15 2khd s ALA 78 N 0.28 0.06 0.07 -1.40 0.00 -1.07 -2.36 121.76 117.34 2khd s ALA 78 Ca 0.04 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.39 2khd s ALA 78 Cb -0.12 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 2khd s ALA 78 CO 0.00 -0.30 -0.17 1.03 0.00 0.00 0.00 175.76 176.32 2khd s ARG 79 N -2.66 1.02 0.06 0.00 0.52 -0.60 -0.44 118.95 116.85 2khd s ARG 79 Ca -0.05 -0.96 0.06 0.00 -0.52 0.00 0.00 55.73 54.26 2khd s ARG 79 Cb -0.01 -1.13 -0.03 0.00 0.52 0.00 0.00 34.95 34.31 2khd s ARG 79 CO -0.05 0.27 -0.15 -0.06 0.02 0.00 0.00 175.30 175.32 2khd s PHE 80 N -1.06 1.33 -0.37 -0.53 0.40 0.79 -2.37 117.98 116.17 2khd s PHE 80 Ca 0.03 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 55.92 2khd s PHE 80 Cb -0.09 -0.77 0.08 0.00 0.51 0.00 0.00 43.02 42.76 2khd s PHE 80 CO 0.02 0.07 0.14 0.15 0.70 0.00 0.00 175.22 176.31 2khd s LYS 81 N -1.46 2.23 0.06 0.44 -0.14 -1.02 -0.18 119.74 119.66 2khd s LYS 81 Ca 0.01 -1.58 -0.02 0.00 -1.36 0.00 0.00 55.97 53.03 2khd s LYS 81 Cb -0.09 -3.48 -0.04 0.00 -1.68 0.00 0.00 37.83 32.53 2khd s LYS 81 CO 0.02 -0.90 0.24 -0.06 -0.76 0.00 0.00 175.35 173.89 2khd s PHE 82 N 1.22 3.52 0.26 3.18 0.08 -0.56 -4.47 117.98 121.21 2khd s PHE 82 Ca 0.03 0.35 -0.02 0.00 0.12 0.00 0.00 56.93 57.42 2khd s PHE 82 Cb -0.22 -1.84 0.34 0.00 -0.57 0.00 0.00 43.02 40.73 2khd s PHE 82 CO -0.02 0.57 1.75 1.49 -0.10 0.00 0.00 175.22 178.91 2khd h GLU 83 N 3.22 0.76 -4.90 0.44 4.81 -1.99 -3.29 114.58 113.65 2khd h GLU 83 Ca -0.46 -0.21 -0.30 0.00 -0.13 0.00 0.00 59.36 58.26 2khd h GLU 83 Cb 1.17 -0.09 -0.17 0.00 0.63 0.00 0.00 28.75 30.30 2khd h GLU 83 CO 0.73 0.79 -0.72 0.14 -0.73 0.00 0.00 179.01 179.22 2khd s VAL 84 N -4.94 0.91 -0.18 0.32 -7.23 -1.26 -4.67 120.40 103.36 2khd s VAL 84 Ca -0.09 -1.75 0.29 0.00 -1.81 0.00 0.00 61.98 58.62 2khd s VAL 84 Cb 0.15 -1.48 0.32 0.00 0.56 0.00 0.00 36.38 35.93 2khd s VAL 84 CO 0.81 -0.65 1.86 -1.28 -0.31 0.00 0.00 175.10 175.53 2khd h SER 85 N 3.35 0.00 -0.76 4.85 0.87 -1.90 -2.97 113.55 116.99 2khd h SER 85 Ca -0.37 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 2khd h SER 85 Cb 1.18 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 2khd h SER 85 CO 0.57 0.00 0.36 0.00 -0.53 0.00 0.00 176.83 177.23 2khd h ALA 86 N 2.13 0.97 -0.23 6.23 0.00 -1.98 -1.86 119.26 124.52 2khd h ALA 86 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2khd h ALA 86 Cb 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2khd h ALA 86 CO 0.00 0.54 -0.16 0.93 0.00 0.00 0.00 179.25 180.56 2khd h GLU 87 N 1.06 0.39 -0.50 0.00 5.08 -1.95 -2.70 114.58 115.97 2khd h GLU 87 Ca 0.26 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2khd h GLU 87 Cb 0.12 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2khd h GLU 87 CO -0.03 0.55 0.21 -0.22 -1.00 0.00 0.00 179.01 178.51 2khd h LYS 88 N 0.36 0.73 -0.16 2.33 3.64 -1.44 0.66 116.57 122.69 2khd h LYS 88 Ca 0.07 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2khd h LYS 88 Cb 0.49 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2khd h LYS 88 CO 0.03 0.64 0.08 -0.07 -2.27 0.00 0.00 179.45 177.86 2khd h LEU 89 N 0.66 0.21 -0.19 5.20 3.38 -1.13 0.17 115.31 123.61 2khd h LEU 89 Ca 0.17 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2khd h LEU 89 Cb 0.17 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2khd h LEU 89 CO -0.02 0.28 -0.26 0.40 0.09 0.00 0.00 178.44 178.93 2khd h ILE 90 N 0.13 1.34 -0.57 1.22 5.03 -1.37 -2.53 117.51 120.76 2khd h ILE 90 Ca 0.06 -1.47 0.02 0.00 -0.12 0.00 0.00 64.86 63.35 2khd h ILE 90 Cb 0.12 1.85 -0.03 0.00 -3.03 0.00 0.00 36.82 35.72 2khd h ILE 90 CO -0.01 0.45 0.36 0.15 -0.68 0.00 0.00 178.15 178.42 2khd h PHE 91 N 0.17 0.67 0.78 1.37 3.57 0.43 0.72 116.94 124.64 2khd h PHE 91 Ca 0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 2khd h PHE 91 Cb 0.83 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.36 2khd h PHE 91 CO 0.09 0.40 -0.37 1.49 -2.23 0.00 0.00 178.31 177.68 2khd h GLU 92 N 0.71 -1.01 -0.60 1.11 4.57 -0.64 0.21 114.58 118.94 2khd h GLU 92 Ca 0.22 0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.44 2khd h GLU 92 Cb -0.02 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 2khd h GLU 92 CO -0.08 -0.66 0.25 -0.07 -1.18 0.00 0.00 179.01 177.27 2khd h LEU 93 N -1.21 0.82 -0.39 1.64 4.07 -1.38 0.32 115.31 119.18 2khd h LEU 93 Ca -0.11 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.67 2khd h LEU 93 Cb 0.82 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 2khd h LEU 93 CO 0.18 0.76 0.17 0.50 -1.08 0.00 0.00 178.44 178.96 2khd h LYS 94 N 0.82 0.57 -0.44 1.13 3.64 0.46 0.34 116.57 123.10 2khd h LYS 94 Ca 0.20 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2khd h LYS 94 Cb 0.19 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2khd h LYS 94 CO -0.02 0.53 0.02 1.79 -2.27 0.00 0.00 179.45 179.50 2khd h THR 95 N 0.49 1.26 -0.62 1.00 1.35 -0.36 -1.31 112.91 114.71 2khd h THR 95 Ca 0.13 -1.00 -0.06 0.00 -0.55 0.00 0.00 66.41 64.92 2khd h THR 95 Cb 0.16 1.04 -0.03 0.00 -1.73 0.00 0.00 68.15 67.59 2khd h THR 95 CO -0.01 0.35 0.14 0.03 -0.25 0.00 0.00 175.52 175.77 2khd h ARG 96 N 0.61 0.99 -0.81 4.72 3.08 -0.69 -1.85 114.38 120.43 2khd h ARG 96 Ca 0.13 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 2khd h ARG 96 Cb 0.47 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2khd h ARG 96 CO 0.02 0.89 0.34 0.00 -1.07 0.00 0.00 179.97 180.15 2khd h ALA 97 N 1.21 1.07 -0.33 0.04 0.00 -0.00 0.44 119.26 121.68 2khd h ALA 97 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2khd h ALA 97 Cb 0.35 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2khd h ALA 97 CO 0.00 0.67 0.12 1.25 0.00 0.00 0.00 179.25 181.29 2khd h LEU 98 N 1.17 0.46 -0.62 0.00 6.46 -0.73 0.31 115.31 122.36 2khd h LEU 98 Ca 0.27 -0.18 -0.13 0.00 -0.12 0.00 0.00 57.88 57.73 2khd h LEU 98 Cb 0.19 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 2khd h LEU 98 CO -0.03 0.51 -0.30 0.00 -0.62 0.00 0.00 178.44 178.01 2khd h ALA 99 N 0.97 0.80 0.00 1.25 0.00 -0.99 -2.32 119.26 118.97 2khd h ALA 99 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2khd h ALA 99 Cb 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2khd h ALA 99 CO -0.01 0.65 0.00 -0.09 0.00 0.00 0.00 179.25 179.80 2khd h ARG 100 N 0.65 0.00 -3.81 0.00 9.65 0.20 -3.49 114.38 117.57 2khd h ARG 100 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2khd h ARG 100 Cb 0.83 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 2khd h ARG 100 CO 0.07 0.00 -0.94 -0.11 2.80 0.00 0.00 179.97 181.79 2khd n LEU 101 N -2.50 -1.83 -4.50 3.80 7.94 0.11 -4.28 117.00 115.74 2khd n LEU 101 Ca 0.03 2.90 -0.14 0.00 -1.11 0.00 0.00 56.01 57.68 2khd n LEU 101 Cb 0.33 -3.20 -0.11 0.00 0.53 0.00 0.00 43.42 40.97 2khd n LEU 101 CO 0.25 -0.37 1.39 1.21 -1.11 0.00 0.00 177.39 178.76 2khd n GLU 102 N -2.03 0.28 -0.21 1.96 4.07 -1.26 -4.69 120.64 118.77 2khd n GLU 102 Ca 0.00 -0.71 -0.10 0.00 -0.06 0.00 0.00 57.16 56.29 2khd n GLU 102 Cb 0.31 -2.82 0.02 0.00 -0.06 0.00 0.00 31.44 28.90 2khd n GLU 102 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2khd h HIS 103 N 11.75 1.18 -1.87 4.31 -0.00 -1.93 -3.44 115.15 125.15 2khd h HIS 103 Ca 0.01 -0.22 -0.65 0.00 -0.00 0.00 0.00 60.37 59.51 2khd h HIS 103 Cb 1.03 -0.30 0.04 0.00 -0.00 0.00 0.00 27.41 28.18 2khd h HIS 103 CO 1.23 1.05 0.72 0.72 -0.00 0.00 0.00 177.93 181.65 2khd n HIS 104 N -4.17 1.94 -0.89 5.26 8.25 -1.26 -4.65 115.22 119.70 2khd n HIS 104 Ca 0.02 0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 2khd n HIS 104 Cb 0.37 -2.46 -0.00 0.00 1.12 0.00 0.00 29.99 29.02 2khd n HIS 104 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2khd n HIS 105 N 3.88 -1.33 -2.55 4.41 8.25 -1.26 -4.76 115.22 121.86 2khd n HIS 105 Ca 0.20 0.04 -0.02 0.00 -0.26 0.00 0.00 57.72 57.68 2khd n HIS 105 Cb 0.22 -0.03 0.07 0.00 1.12 0.00 0.00 29.99 31.37 2khd n HIS 105 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2khd n HIS 106 N -0.49 -0.91 -2.16 4.41 -0.00 -1.26 -5.03 115.22 109.78 2khd n HIS 106 Ca 0.00 -1.47 -0.40 0.00 -0.00 0.00 0.00 57.72 55.85 2khd n HIS 106 Cb 0.02 0.91 -0.02 0.00 -0.00 0.00 0.00 29.99 30.90 2khd n HIS 106 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2khd s HIS 107 N -0.62 3.04 -1.56 4.41 -3.43 -1.26 -5.24 115.29 110.63 2khd s HIS 107 Ca 0.12 1.46 0.00 0.00 -0.80 0.00 0.00 55.06 55.84 2khd s HIS 107 Cb 0.33 -3.60 0.00 0.00 -1.43 0.00 0.00 32.58 27.88 2khd s HIS 107 CO -0.09 -1.72 0.39 1.58 -2.00 0.00 0.00 174.74 172.90