#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khd n SER 2 N 0.00 -5.07 -4.54 7.83 2.88 -1.26 -4.91 113.62 108.55 2khd n SER 2 Ca 0.00 -0.78 -0.43 0.00 -1.33 0.00 0.00 58.87 56.33 2khd n SER 2 Cb 0.00 -4.66 -0.04 0.00 -0.75 0.00 0.00 64.21 58.76 2khd n SER 2 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2khd s ASN 3 N -3.66 6.40 0.00 -3.46 0.01 -1.26 -4.99 114.94 107.99 2khd s ASN 3 Ca 0.35 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.34 2khd s ASN 3 Cb -0.07 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.15 2khd s ASN 3 CO 0.77 -1.17 0.00 0.00 -1.51 0.00 0.00 177.10 175.19 2khd n GLN 4 N 7.39 0.00 0.01 -0.60 1.13 -1.26 -4.93 117.38 119.12 2khd n GLN 4 Ca 0.04 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.21 2khd n GLN 4 Cb 0.48 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.72 2khd n GLN 4 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2khd n THR 5 N 0.00 0.10 -2.04 5.09 -1.04 -1.26 -5.08 114.28 110.05 2khd n THR 5 Ca 0.00 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 2khd n THR 5 Cb 0.00 0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 2khd n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2khd s VAL 7 N -0.74 5.39 0.44 0.00 0.11 -1.26 -5.07 120.40 119.27 2khd s VAL 7 Ca 0.00 0.18 -0.24 0.00 -2.93 0.00 0.00 61.98 58.99 2khd s VAL 7 Cb 0.00 -3.45 -0.08 0.00 -1.53 0.00 0.00 36.38 31.33 2khd s VAL 7 CO 0.00 0.46 1.16 -1.83 -3.33 0.00 0.00 175.10 171.56 2khd s GLU 8 N 0.21 3.86 -1.05 1.54 -1.05 -1.26 -2.92 118.70 118.03 2khd s GLU 8 Ca 0.09 1.78 -0.10 0.00 -0.15 0.00 0.00 54.97 56.58 2khd s GLU 8 Cb -0.11 -2.48 0.10 0.00 -0.44 0.00 0.00 34.13 31.19 2khd s GLU 8 CO -0.01 -0.47 0.35 0.27 0.95 0.00 0.00 175.26 176.34 2khd n ASN 9 N -0.32 -2.28 -0.10 0.83 6.94 -1.26 -4.55 115.26 114.52 2khd n ASN 9 Ca 0.06 -0.34 0.00 0.00 -0.02 0.00 0.00 54.58 54.28 2khd n ASN 9 Cb 0.48 -1.97 0.00 0.00 -2.36 0.00 0.00 39.78 35.93 2khd n ASN 9 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2khd n GLU 10 N -3.40 0.00 0.00 -3.83 1.02 -1.15 -2.68 120.64 110.60 2khd n GLU 10 Ca 0.03 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.30 2khd n GLU 10 Cb 0.50 0.00 0.78 0.00 -0.02 0.00 0.00 31.44 32.70 2khd n GLU 10 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2khd n VAL 11 N -0.21 0.05 -4.24 2.62 0.31 -1.26 -4.86 118.33 110.73 2khd n VAL 11 Ca 0.00 0.01 -0.37 0.00 -0.01 0.00 0.00 64.34 63.98 2khd n VAL 11 Cb 0.00 -0.57 -0.03 0.00 -0.91 0.00 0.00 33.84 32.33 2khd n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2khd s GLU 13 N -6.95 4.25 0.00 0.00 -6.30 -1.26 -4.83 118.70 103.60 2khd s GLU 13 Ca 0.72 2.37 0.00 0.00 -2.50 0.00 0.00 54.97 55.56 2khd s GLU 13 Cb -0.39 -3.03 0.00 0.00 0.00 0.00 0.00 34.13 30.71 2khd s GLU 13 CO 0.94 -0.35 0.00 0.00 0.02 0.00 0.00 175.26 175.87 2khd n ALA 14 N 0.72 0.22 -0.16 6.30 0.00 -1.26 -4.93 120.51 121.40 2khd n ALA 14 Ca 0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 2khd n ALA 14 Cb 0.41 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.91 2khd n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2khd s GLY 16 N -3.68 2.98 0.12 0.00 0.00 -1.26 -5.04 107.32 100.43 2khd s GLY 16 Ca -0.11 1.01 0.06 0.00 0.00 0.00 0.00 44.72 45.68 2khd s GLY 16 CO 0.85 1.59 -0.15 0.00 0.00 0.00 0.00 173.10 175.39 2khd n ALA 18 N 0.66 -1.98 0.00 0.00 0.00 -1.26 -5.08 120.51 112.85 2khd n ALA 18 Ca -0.16 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2khd n ALA 18 Cb 0.56 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2khd n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2khd n GLY 19 N -2.11 -0.65 3.59 0.00 0.00 -1.26 -5.13 105.19 99.63 2khd n GLY 19 Ca 0.00 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 1.18 -0.17 1.61 -0.00 -1.26 -4.89 120.64 117.11 2khd n GLU 20 Ca 0.00 0.43 -0.09 0.00 -0.00 0.00 0.00 57.16 57.50 2khd n GLU 20 Cb 0.00 -2.01 0.00 0.00 -0.00 0.00 0.00 31.44 29.44 2khd n GLU 20 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2khd h ILE 21 N 1.25 1.25 0.00 3.84 2.04 -2.06 -3.48 117.51 120.34 2khd h ILE 21 Ca -0.45 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.50 2khd h ILE 21 Cb 1.35 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2khd h ILE 21 CO 0.55 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.63 2khd n GLY 22 N -0.53 -0.47 3.79 5.37 0.00 -1.26 -4.87 105.19 107.22 2khd n GLY 22 Ca 0.01 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 2.85 0.17 1.61 0.08 -1.26 -4.95 117.98 116.49 2khd s PHE 23 Ca 0.00 1.55 -0.12 0.00 0.12 0.00 0.00 56.93 58.48 2khd s PHE 23 Cb 0.00 -3.14 0.07 0.00 -0.57 0.00 0.00 43.02 39.38 2khd s PHE 23 CO 0.00 -1.21 1.72 0.82 -0.10 0.00 0.00 175.22 176.44 2khd h ILE 24 N 1.06 1.23 -0.61 0.64 2.04 -2.05 -2.85 117.51 116.97 2khd h ILE 24 Ca -0.49 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 2khd h ILE 24 Cb 1.24 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2khd h ILE 24 CO 0.57 0.28 0.23 0.40 0.00 0.00 0.00 178.15 179.64 2khd h ILE 25 N 0.81 1.23 -5.28 -0.67 2.04 -1.98 -3.47 117.51 110.19 2khd h ILE 25 Ca 0.19 -0.75 -0.24 0.00 1.00 0.00 0.00 64.86 65.06 2khd h ILE 25 Cb 0.23 0.58 0.18 0.00 -0.74 0.00 0.00 36.82 37.07 2khd h ILE 25 CO -0.01 0.29 -0.79 -1.14 0.00 0.00 0.00 178.15 176.50 2khd n ARG 26 N -4.43 -2.32 -3.15 2.37 0.63 -1.08 -4.19 116.66 104.48 2khd n ARG 26 Ca 0.04 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 2khd n ARG 26 Cb 0.18 -5.52 0.00 0.00 0.45 0.00 0.00 32.46 27.56 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 -3.15 -0.61 -1.18 -0.14 2.13 -1.26 -4.72 120.64 111.70 2khd n GLU 27 Ca -0.08 0.93 -0.18 0.00 0.66 0.00 0.00 57.16 58.49 2khd n GLU 27 Cb 0.61 -0.92 -0.11 0.00 0.27 0.00 0.00 31.44 31.30 2khd n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2khd n GLY 28 N 1.72 3.60 1.40 8.31 0.00 -1.26 -4.71 105.19 114.25 2khd n GLY 28 Ca 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 46.02 44.56 2khd n GLY 28 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2khd n ASP 29 N 1.69 -0.69 -2.68 1.61 5.75 -1.26 -4.51 116.55 116.45 2khd n ASP 29 Ca 0.43 0.13 -0.04 0.00 -0.01 0.00 0.00 54.79 55.30 2khd n ASP 29 Cb 0.73 -0.99 0.13 0.00 -1.03 0.00 0.00 41.12 39.96 2khd n ASP 29 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2khd n ASP 30 N 0.34 -1.61 -4.21 -1.12 5.68 -1.26 -5.06 116.55 109.30 2khd n ASP 30 Ca -0.02 -2.31 -0.29 0.00 -0.50 0.00 0.00 54.79 51.67 2khd n ASP 30 Cb 0.15 0.81 -0.16 0.00 -1.14 0.00 0.00 41.12 40.77 2khd n ASP 30 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2khd s VAL 31 N 0.12 1.77 0.14 2.12 1.01 -1.26 -2.28 120.40 122.02 2khd s VAL 31 Ca 0.14 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.29 2khd s VAL 31 Cb 0.43 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2khd s VAL 31 CO -0.11 0.50 -0.11 0.00 0.00 0.00 0.00 175.10 175.38 2khd s ALA 32 N -0.12 2.92 0.02 5.51 0.00 0.35 -4.93 121.76 125.51 2khd s ALA 32 Ca -0.02 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 50.62 2khd s ALA 32 Cb -0.12 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 2khd s ALA 32 CO 0.03 0.57 -0.02 -2.00 0.00 0.00 0.00 175.76 174.33 2khd s GLU 33 N -2.45 2.66 -0.07 0.00 2.12 -1.26 -0.42 118.70 119.28 2khd s GLU 33 Ca 0.22 -0.69 0.04 0.00 0.36 0.00 0.00 54.97 54.90 2khd s GLU 33 Cb -0.10 -2.59 0.00 0.00 0.26 0.00 0.00 34.13 31.70 2khd s GLU 33 CO 0.14 0.60 -0.18 0.08 -0.54 0.00 0.00 175.26 175.36 2khd s VAL 34 N -1.10 1.59 -0.22 3.70 1.01 0.34 -4.97 120.40 120.74 2khd s VAL 34 Ca 0.20 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 2khd s VAL 34 Cb -0.11 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 2khd s VAL 34 CO 0.11 0.45 0.02 -0.44 0.00 0.00 0.00 175.10 175.24 2khd s SER 35 N 0.31 4.83 -0.05 3.32 0.01 -1.26 -2.65 113.70 118.22 2khd s SER 35 Ca -0.12 -0.24 0.06 0.00 1.31 0.00 0.00 55.95 56.95 2khd s SER 35 Cb -0.15 -1.84 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 2khd s SER 35 CO 0.05 0.01 -0.23 -0.22 0.41 0.00 0.00 173.24 173.26 2khd s LEU 36 N 1.34 2.02 -0.07 2.44 2.96 -1.00 -5.00 118.68 121.37 2khd s LEU 36 Ca 0.04 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2khd s LEU 36 Cb -0.15 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 2khd s LEU 36 CO 0.01 0.22 -0.12 0.12 -1.32 0.00 0.00 176.35 175.26 2khd s PHE 37 N -0.14 2.78 0.01 5.38 5.36 -1.26 -0.65 117.98 129.45 2khd s PHE 37 Ca -0.02 -0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 55.74 2khd s PHE 37 Cb -0.13 -1.69 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 2khd s PHE 37 CO 0.03 0.15 0.05 0.41 -1.46 0.00 0.00 175.22 174.40 2khd n GLY 38 N 2.51 1.23 0.00 13.12 0.00 0.16 -4.98 105.19 117.23 2khd n GLY 38 Ca -0.17 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.58 0.00 -4.44 1.61 3.41 -1.26 -4.38 113.62 107.97 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 0.03 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.13 2khd n SER 39 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2khd s ASP 40 N -1.00 3.70 0.19 4.04 1.01 -1.26 -4.13 116.67 119.22 2khd s ASP 40 Ca 0.00 0.39 -0.11 0.00 0.71 0.00 0.00 52.55 53.55 2khd s ASP 40 Cb 0.00 -0.62 0.11 0.00 1.01 0.00 0.00 42.92 43.41 2khd s ASP 40 CO 0.00 -2.37 1.77 0.50 0.21 0.00 0.00 175.17 175.28 2khd h LYS 41 N -1.34 0.98 -0.56 8.23 3.64 -1.48 -1.99 116.57 124.05 2khd h LYS 41 Ca -0.44 -0.16 0.09 0.00 -1.27 0.00 0.00 60.65 58.87 2khd h LYS 41 Cb 1.27 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.85 2khd h LYS 41 CO 0.48 0.79 0.19 0.00 -2.27 0.00 0.00 179.45 178.64 2khd h ALA 42 N 1.14 0.70 -0.43 5.00 0.00 -1.93 0.37 119.26 124.10 2khd h ALA 42 Ca 0.23 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 2khd h ALA 42 Cb 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2khd h ALA 42 CO -0.03 -0.22 -0.04 1.25 0.00 0.00 0.00 179.25 180.21 2khd h HIS 43 N 0.36 0.87 -0.70 0.00 -0.00 -1.87 -2.40 115.15 111.41 2khd h HIS 43 Ca 0.28 -0.16 -0.04 0.00 -0.00 0.00 0.00 60.37 60.45 2khd h HIS 43 Cb 0.35 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 2khd h HIS 43 CO -0.18 0.87 0.28 -0.07 -0.00 0.00 0.00 177.93 178.82 2khd h LEU 44 N 0.62 0.97 -1.01 0.26 3.38 -0.54 -2.52 115.31 116.46 2khd h LEU 44 Ca 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2khd h LEU 44 Cb 0.54 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2khd h LEU 44 CO 0.03 0.88 0.31 -0.33 0.09 0.00 0.00 178.44 179.42 2khd h GLU 45 N 1.00 1.02 0.35 1.13 4.39 -0.17 0.29 114.58 122.58 2khd h GLU 45 Ca 0.23 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2khd h GLU 45 Cb 0.22 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2khd h GLU 45 CO -0.02 0.80 -0.20 0.78 -1.16 0.00 0.00 179.01 179.22 2khd h GLY 46 N 1.07 -0.54 1.31 -3.84 0.00 -1.01 -2.35 103.07 97.71 2khd h GLY 46 Ca 0.24 0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.69 2khd h GLY 46 CO -0.03 -0.20 -0.10 0.50 0.00 0.00 0.00 176.54 176.71 2khd h LYS 47 N -0.52 0.82 -0.89 4.80 1.57 -1.31 -2.71 116.57 118.34 2khd h LYS 47 Ca -0.04 -0.27 0.21 0.00 -1.87 0.00 0.00 60.65 58.68 2khd h LYS 47 Cb 0.42 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 2khd h LYS 47 CO 0.05 0.89 0.60 1.25 -0.57 0.00 0.00 179.45 181.67 2khd h LEU 48 N 0.74 0.33 -1.56 2.94 5.85 -0.05 0.24 115.31 123.81 2khd h LEU 48 Ca 0.13 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.98 2khd h LEU 48 Cb 0.59 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2khd h LEU 48 CO 0.04 0.13 0.43 0.00 -0.34 0.00 0.00 178.44 178.70 2khd h ALA 49 N 1.61 1.94 -0.41 1.25 0.00 -1.09 -1.27 119.26 121.29 2khd h ALA 49 Ca 0.46 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 2khd h ALA 49 Cb 1.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2khd h ALA 49 CO -0.15 -0.08 -0.02 0.93 0.00 0.00 0.00 179.25 179.93 2khd h GLU 50 N 0.50 0.74 -0.41 0.00 4.39 -0.66 -0.74 114.58 118.40 2khd h GLU 50 Ca 0.30 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2khd h GLU 50 Cb 0.51 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2khd h GLU 50 CO -0.09 0.83 0.12 1.88 -1.16 0.00 0.00 179.01 180.59 2khd h TYR 51 N 0.57 0.66 -0.43 4.33 -1.99 -1.27 -0.93 116.97 117.91 2khd h TYR 51 Ca 0.11 -0.07 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 2khd h TYR 51 Cb 0.51 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 2khd h TYR 51 CO 0.04 0.62 0.07 0.82 -0.00 0.00 0.00 178.16 179.71 2khd h ILE 52 N 0.52 1.24 -0.79 -2.88 2.04 -1.28 -1.95 117.51 114.42 2khd h ILE 52 Ca 0.13 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 2khd h ILE 52 Cb 0.27 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 2khd h ILE 52 CO -0.00 0.31 0.42 0.28 0.00 0.00 0.00 178.15 179.15 2khd h SER 53 N 0.56 1.00 -0.69 1.72 0.02 -0.98 -2.33 113.55 112.85 2khd h SER 53 Ca 0.13 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 2khd h SER 53 Cb 0.38 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 2khd h SER 53 CO 0.01 0.83 0.24 0.25 -1.14 0.00 0.00 176.83 177.01 2khd h LEU 54 N 1.10 0.99 -0.94 5.07 5.85 -0.97 -2.10 115.31 124.32 2khd h LEU 54 Ca 0.28 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2khd h LEU 54 Cb 0.06 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 2khd h LEU 54 CO -0.04 0.93 0.61 0.00 -0.34 0.00 0.00 178.44 179.60 2khd h ALA 55 N 1.11 1.19 -0.58 1.25 0.00 -0.91 -0.34 119.26 120.98 2khd h ALA 55 Ca 0.23 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2khd h ALA 55 Cb 0.27 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2khd h ALA 55 CO -0.01 0.59 0.09 0.87 0.00 0.00 0.00 179.25 180.80 2khd h LYS 56 N 1.27 0.96 -0.25 0.00 1.57 -1.07 0.28 116.57 119.33 2khd h LYS 56 Ca 0.34 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2khd h LYS 56 Cb -0.14 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 2khd h LYS 56 CO -0.07 0.91 0.04 0.37 -0.57 0.00 0.00 179.45 180.13 2khd h GLN 57 N 0.85 0.41 -0.42 3.15 5.75 -0.72 -2.95 115.11 121.19 2khd h GLN 57 Ca 0.18 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 2khd h GLN 57 Cb 0.42 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 2khd h GLN 57 CO 0.01 0.54 0.06 0.28 -2.65 0.00 0.00 178.83 177.08 2khd h VAL 58 N 0.22 1.24 -3.26 2.39 2.07 -0.98 -3.42 116.25 114.52 2khd h VAL 58 Ca 0.08 -0.88 -0.41 0.00 0.82 0.00 0.00 66.70 66.30 2khd h VAL 58 Cb 0.33 1.01 -0.39 0.00 -1.52 0.00 0.00 31.29 30.72 2khd h VAL 58 CO 0.01 0.30 -0.75 -0.47 0.02 0.00 0.00 177.57 176.68 2khd s TYR 59 N -5.18 0.29 0.53 1.57 5.04 0.08 -5.10 117.35 114.57 2khd s TYR 59 Ca -0.13 0.00 -0.20 0.00 -2.44 0.00 0.00 57.07 54.30 2khd s TYR 59 Cb 0.10 -0.62 -0.06 0.00 0.35 0.00 0.00 41.96 41.73 2khd s TYR 59 CO 0.78 -0.30 1.14 0.00 -1.34 0.00 0.00 175.55 175.84 2khd s ALA 60 N 2.10 2.75 -1.38 3.97 0.00 -1.13 -3.26 121.76 124.81 2khd s ALA 60 Ca 0.04 0.87 -0.08 0.00 0.00 0.00 0.00 51.96 52.79 2khd s ALA 60 Cb -0.13 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2khd s ALA 60 CO -0.05 -0.77 1.11 -1.71 0.00 0.00 0.00 175.76 174.34 2khd n ASN 61 N -1.12 -6.36 -4.75 0.00 2.85 -1.26 -4.94 115.26 99.67 2khd n ASN 61 Ca 0.11 -0.50 -0.40 0.00 -0.11 0.00 0.00 54.58 53.67 2khd n ASN 61 Cb 0.50 -5.01 -0.05 0.00 1.24 0.00 0.00 39.78 36.46 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 -3.30 3.78 -0.12 3.44 0.11 -1.20 -5.04 120.40 118.07 2khd s VAL 62 Ca 0.55 1.74 -0.04 0.00 -2.93 0.00 0.00 61.98 61.30 2khd s VAL 62 Cb -0.24 -4.11 -0.03 0.00 -1.53 0.00 0.00 36.38 30.47 2khd s VAL 62 CO 0.68 0.39 0.02 -1.61 -3.33 0.00 0.00 175.10 171.25 2khd s GLU 63 N -1.13 3.35 0.15 1.54 2.02 -1.26 -4.98 118.70 118.39 2khd s GLU 63 Ca 0.44 -0.39 -0.13 0.00 0.02 0.00 0.00 54.97 54.91 2khd s GLU 63 Cb -0.29 -2.94 0.01 0.00 0.10 0.00 0.00 34.13 31.02 2khd s GLU 63 CO 0.37 0.54 0.36 1.52 0.02 0.00 0.00 175.26 178.06 2khd s TYR 64 N -0.41 0.08 0.03 1.61 1.13 -1.26 -0.94 117.35 117.59 2khd s TYR 64 Ca 0.08 -0.44 0.00 0.00 -1.41 0.00 0.00 57.07 55.30 2khd s TYR 64 Cb -0.12 0.14 -0.03 0.00 -1.10 0.00 0.00 41.96 40.85 2khd s TYR 64 CO 0.02 -0.74 -0.04 -1.21 -2.51 0.00 0.00 175.55 171.08 2khd s GLU 65 N -3.89 0.41 -0.13 -3.49 0.41 -0.88 -5.01 118.70 106.12 2khd s GLU 65 Ca 0.10 -0.78 -0.01 0.00 -0.41 0.00 0.00 54.97 53.87 2khd s GLU 65 Cb 0.02 0.08 -0.02 0.00 -1.78 0.00 0.00 34.13 32.44 2khd s GLU 65 CO -0.05 -0.05 -0.12 0.08 -0.49 0.00 0.00 175.26 174.63 2khd s VAL 66 N -2.05 3.16 0.85 2.63 1.01 -1.26 -1.94 120.40 122.79 2khd s VAL 66 Ca -0.10 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 2khd s VAL 66 Cb -0.06 -2.34 0.10 0.00 0.00 0.00 0.00 36.38 34.09 2khd s VAL 66 CO -0.03 0.52 1.14 0.00 0.00 0.00 0.00 175.10 176.73 2khd s ALA 67 N 0.36 2.22 0.46 5.51 0.00 -1.02 -4.99 121.76 124.30 2khd s ALA 67 Ca -0.10 -0.51 -0.25 0.00 0.00 0.00 0.00 51.96 51.10 2khd s ALA 67 Cb -0.16 -3.02 -0.08 0.00 0.00 0.00 0.00 23.12 19.86 2khd s ALA 67 CO 0.05 -1.92 1.38 -2.30 0.00 0.00 0.00 175.76 172.97 2khd n PRO 68 N -3.51 2.09 -5.17 0.00 -0.02 -1.26 -4.84 135.00 122.28 2khd n PRO 68 Ca 0.07 0.75 -0.31 0.00 -2.02 0.00 0.00 63.50 61.99 2khd n PRO 68 Cb 0.59 -2.56 -0.17 0.00 -0.02 0.00 0.00 33.50 31.34 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 -1.21 1.95 0.00 -1.45 1.01 -1.26 -4.86 120.40 114.58 2khd s VAL 69 Ca 0.63 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2khd s VAL 69 Cb -0.46 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.25 2khd s VAL 69 CO 0.56 0.54 0.76 0.00 0.00 0.00 0.00 175.10 176.96 2khd n ALA 70 N 3.27 2.27 -0.14 5.51 0.00 -1.26 -4.84 120.51 125.33 2khd n ALA 70 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2khd n ALA 70 Cb 0.52 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2khd n ALA 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2khd n ASP 71 N 0.69 0.00 0.00 0.00 2.03 -1.26 -2.63 116.55 115.38 2khd n ASP 71 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 2khd n ASP 71 Cb 0.36 0.00 0.68 0.00 -0.72 0.00 0.00 41.12 41.44 2khd n ASP 71 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2khd n ASN 72 N 0.14 0.00 -4.39 1.67 5.15 -1.26 -1.51 115.26 115.06 2khd n ASN 72 Ca 0.00 -0.50 -0.41 0.00 -0.60 0.00 0.00 54.58 53.07 2khd n ASN 72 Cb 0.00 -0.11 0.01 0.00 -0.53 0.00 0.00 39.78 39.15 2khd n ASN 72 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2khd n ALA 73 N -1.11 -2.10 1.15 5.20 0.00 -1.08 -4.74 120.51 117.83 2khd n ALA 73 Ca 0.16 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.83 2khd n ALA 73 Cb 0.12 -1.65 0.24 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.06 0.01 -3.91 0.00 -2.24 -1.26 -4.40 114.28 101.43 2khd n THR 74 Ca 0.11 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.37 2khd n THR 74 Cb 0.41 1.16 -0.09 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.99 0.68 -0.05 -0.78 -1.05 -1.26 -0.67 118.70 113.57 2khd s GLU 75 Ca 0.31 -0.83 0.04 0.00 -0.15 0.00 0.00 54.97 54.34 2khd s GLU 75 Cb 0.20 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 2khd s GLU 75 CO 0.31 -0.18 -0.16 -1.17 0.95 0.00 0.00 175.26 175.01 2khd s LEU 76 N -2.38 1.85 -0.18 1.83 0.20 0.18 -4.92 118.68 115.27 2khd s LEU 76 Ca -0.01 -0.35 -0.06 0.00 0.69 0.00 0.00 54.13 54.39 2khd s LEU 76 Cb 0.01 -0.96 -0.04 0.00 -0.43 0.00 0.00 46.19 44.78 2khd s LEU 76 CO -0.07 0.12 0.03 -1.00 -0.29 0.00 0.00 176.35 175.14 2khd s HIS 77 N 0.25 3.16 0.04 5.38 3.76 -1.26 -2.39 115.29 124.23 2khd s HIS 77 Ca -0.08 -0.09 -0.02 0.00 -0.15 0.00 0.00 55.06 54.72 2khd s HIS 77 Cb -0.13 -2.04 -0.03 0.00 1.11 0.00 0.00 32.58 31.49 2khd s HIS 77 CO 0.03 0.06 -0.01 0.00 -0.85 0.00 0.00 174.74 173.98 2khd s ALA 78 N 0.43 0.27 0.06 -1.40 0.00 -1.08 -2.42 121.76 117.62 2khd s ALA 78 Ca 0.01 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.14 2khd s ALA 78 Cb -0.13 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2khd s ALA 78 CO 0.01 -0.30 -0.17 1.03 0.00 0.00 0.00 175.76 176.34 2khd s ARG 79 N -2.90 1.05 0.07 0.00 0.52 -0.82 -0.50 118.95 116.37 2khd s ARG 79 Ca -0.03 -0.91 0.06 0.00 -0.52 0.00 0.00 55.73 54.34 2khd s ARG 79 Cb 0.01 -1.13 -0.03 0.00 0.52 0.00 0.00 34.95 34.32 2khd s ARG 79 CO -0.06 0.27 -0.17 -0.06 0.02 0.00 0.00 175.30 175.30 2khd s PHE 80 N -0.98 1.48 -0.16 -0.53 0.40 0.44 -2.07 117.98 116.55 2khd s PHE 80 Ca 0.03 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 2khd s PHE 80 Cb -0.09 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 2khd s PHE 80 CO 0.02 0.10 -0.07 0.21 0.70 0.00 0.00 175.22 176.18 2khd s LYS 81 N -1.54 3.51 0.05 0.44 2.20 -0.11 -0.50 119.74 123.79 2khd s LYS 81 Ca 0.03 -0.60 0.08 0.00 -0.36 0.00 0.00 55.97 55.12 2khd s LYS 81 Cb -0.09 -2.85 -0.03 0.00 -1.51 0.00 0.00 37.83 33.35 2khd s LYS 81 CO 0.02 0.12 -0.23 -0.06 -0.36 0.00 0.00 175.35 174.84 2khd s PHE 82 N 0.65 2.04 0.28 4.03 0.08 -0.97 -4.21 117.98 119.88 2khd s PHE 82 Ca -0.04 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.68 2khd s PHE 82 Cb -0.15 -1.21 0.40 0.00 -0.57 0.00 0.00 43.02 41.49 2khd s PHE 82 CO 0.02 0.12 1.67 0.93 -0.10 0.00 0.00 175.22 177.86 2khd h GLU 83 N 4.77 0.27 -5.22 0.44 4.39 -1.99 -3.45 114.58 113.78 2khd h GLU 83 Ca -0.45 -0.13 -0.37 0.00 0.34 0.00 0.00 59.36 58.75 2khd h GLU 83 Cb 1.15 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.64 2khd h GLU 83 CO 0.43 0.66 -0.73 0.14 -1.16 0.00 0.00 179.01 178.35 2khd s VAL 84 N -4.09 1.24 0.16 3.13 -7.23 -1.26 -5.05 120.40 107.30 2khd s VAL 84 Ca -0.05 -1.88 -0.10 0.00 -1.81 0.00 0.00 61.98 58.14 2khd s VAL 84 Cb 0.13 -1.67 0.02 0.00 0.56 0.00 0.00 36.38 35.42 2khd s VAL 84 CO 0.78 -0.58 1.57 -1.28 -0.31 0.00 0.00 175.10 175.28 2khd h SER 85 N 3.16 1.02 -0.98 4.85 0.87 -1.97 -3.15 113.55 117.35 2khd h SER 85 Ca -0.38 -0.37 0.31 0.00 -1.23 0.00 0.00 61.79 60.12 2khd h SER 85 Cb 1.19 -0.28 -0.18 0.00 -0.44 0.00 0.00 62.40 62.70 2khd h SER 85 CO 0.57 1.16 0.21 0.00 -0.53 0.00 0.00 176.83 178.24 2khd h ALA 86 N 0.90 1.50 -0.01 6.23 0.00 -1.99 1.87 119.26 127.75 2khd h ALA 86 Ca 0.13 0.31 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 2khd h ALA 86 Cb 0.73 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2khd h ALA 86 CO 0.06 -0.68 -0.30 0.93 0.00 0.00 0.00 179.25 179.26 2khd h GLU 87 N 0.03 0.02 -0.25 0.00 5.08 -1.98 -2.83 114.58 114.65 2khd h GLU 87 Ca 0.67 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.01 2khd h GLU 87 Cb 1.53 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 2khd h GLU 87 CO -0.84 0.31 0.10 -0.22 -1.00 0.00 0.00 179.01 177.36 2khd h LYS 88 N 0.01 0.38 -0.19 2.33 3.64 0.28 0.75 116.57 123.78 2khd h LYS 88 Ca -0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2khd h LYS 88 Cb 0.53 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2khd h LYS 88 CO 0.04 0.43 0.07 -0.07 -2.27 0.00 0.00 179.45 177.65 2khd h LEU 89 N 0.26 0.27 -0.27 5.20 -0.00 -1.29 0.91 115.31 120.38 2khd h LEU 89 Ca 0.08 -0.17 -0.10 0.00 -0.00 0.00 0.00 57.88 57.70 2khd h LEU 89 Cb 0.19 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 2khd h LEU 89 CO -0.01 0.37 -0.20 0.40 -0.00 0.00 0.00 178.44 179.00 2khd h ILE 90 N 0.15 1.31 -0.35 1.22 5.03 -1.43 -1.02 117.51 122.41 2khd h ILE 90 Ca 0.06 -1.34 0.00 0.00 -0.12 0.00 0.00 64.86 63.46 2khd h ILE 90 Cb 0.18 1.58 -0.02 0.00 -3.03 0.00 0.00 36.82 35.54 2khd h ILE 90 CO -0.00 0.42 0.23 0.15 -0.68 0.00 0.00 178.15 178.26 2khd h PHE 91 N 0.34 0.45 -0.41 1.37 3.57 0.63 -0.36 116.94 122.53 2khd h PHE 91 Ca 0.05 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 2khd h PHE 91 Cb 0.75 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2khd h PHE 91 CO 0.07 0.30 -0.21 0.93 -2.23 0.00 0.00 178.31 177.17 2khd h GLU 92 N 0.47 0.82 -0.24 1.11 5.08 -0.80 -1.14 114.58 119.88 2khd h GLU 92 Ca 0.13 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2khd h GLU 92 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2khd h GLU 92 CO -0.03 0.95 0.07 1.25 -1.00 0.00 0.00 179.01 180.26 2khd h LEU 93 N 0.71 0.35 -0.26 1.33 6.46 -0.78 0.43 115.31 123.56 2khd h LEU 93 Ca 0.10 -0.20 -0.05 0.00 -0.12 0.00 0.00 57.88 57.60 2khd h LEU 93 Cb 0.73 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 2khd h LEU 93 CO 0.06 0.46 -0.03 0.11 -0.62 0.00 0.00 178.44 178.41 2khd h LYS 94 N 0.22 0.48 -0.46 1.25 1.57 -1.01 -0.27 116.57 118.36 2khd h LYS 94 Ca 0.08 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 2khd h LYS 94 Cb 0.24 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2khd h LYS 94 CO -0.00 0.68 -0.11 1.79 -0.57 0.00 0.00 179.45 181.23 2khd h THR 95 N 0.24 1.27 -0.45 -0.16 1.35 -1.14 0.20 112.91 114.22 2khd h THR 95 Ca 0.07 -1.24 -0.04 0.00 -0.55 0.00 0.00 66.41 64.65 2khd h THR 95 Cb 0.48 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 2khd h THR 95 CO 0.02 0.42 0.12 0.03 -0.25 0.00 0.00 175.52 175.87 2khd h ARG 96 N 0.73 0.72 -0.40 4.72 2.47 -0.08 0.22 114.38 122.75 2khd h ARG 96 Ca 0.12 -0.17 -0.15 0.00 -1.26 0.00 0.00 59.98 58.52 2khd h ARG 96 Cb 0.66 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 2khd h ARG 96 CO 0.05 0.71 -0.35 0.00 0.56 0.00 0.00 179.97 180.93 2khd h ALA 97 N 0.98 0.58 -0.55 0.04 0.00 -0.93 -1.50 119.26 117.88 2khd h ALA 97 Ca 0.14 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2khd h ALA 97 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2khd h ALA 97 CO -0.00 0.67 0.13 1.25 0.00 0.00 0.00 179.25 181.29 2khd h LEU 98 N 0.77 0.85 -0.97 0.00 6.46 -0.38 0.33 115.31 122.37 2khd h LEU 98 Ca 0.07 -0.24 -0.06 0.00 -0.12 0.00 0.00 57.88 57.53 2khd h LEU 98 Cb 0.94 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 2khd h LEU 98 CO 0.09 0.87 0.10 0.00 -0.62 0.00 0.00 178.44 178.88 2khd h ALA 99 N 1.01 1.16 0.00 1.25 0.00 -0.45 -1.63 119.26 120.61 2khd h ALA 99 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2khd h ALA 99 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2khd h ALA 99 CO 0.00 0.56 -0.08 0.00 0.00 0.00 0.00 179.25 179.74 2khd h ARG 100 N 0.81 0.00 -2.70 0.00 3.08 -0.85 -3.49 114.38 111.23 2khd h ARG 100 Ca 0.17 0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.48 2khd h ARG 100 Cb 0.34 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.28 2khd h ARG 100 CO 0.00 0.00 -0.68 1.28 -1.07 0.00 0.00 179.97 179.50 2khd n LEU 101 N -2.34 -0.64 -3.10 3.04 4.77 0.11 -4.89 117.00 113.95 2khd n LEU 101 Ca 0.05 1.47 -0.00 0.00 -0.03 0.00 0.00 56.01 57.49 2khd n LEU 101 Cb 0.44 -3.57 -0.00 0.00 -2.33 0.00 0.00 43.42 37.96 2khd n LEU 101 CO 0.31 -2.02 -0.27 1.21 -1.33 0.00 0.00 177.39 175.30 2khd n GLU 102 N -3.68 -1.04 -1.15 3.23 2.13 -1.26 -4.93 120.64 113.93 2khd n GLU 102 Ca -0.03 1.17 0.04 0.00 0.66 0.00 0.00 57.16 58.99 2khd n GLU 102 Cb 0.61 -1.23 0.04 0.00 0.27 0.00 0.00 31.44 31.13 2khd n GLU 102 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2khd n HIS 103 N 1.88 0.00 -0.79 4.31 -0.00 -1.26 -4.75 115.22 114.61 2khd n HIS 103 Ca -0.02 -0.51 0.00 0.00 0.46 0.00 0.00 57.72 57.65 2khd n HIS 103 Cb 0.25 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 2khd n HIS 103 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2khd n HIS 104 N 0.17 0.00 -0.18 1.57 1.44 -1.26 -4.80 115.22 112.16 2khd n HIS 104 Ca 0.06 -0.03 -0.10 0.00 -2.01 0.00 0.00 57.72 55.65 2khd n HIS 104 Cb 0.99 -0.00 0.01 0.00 0.12 0.00 0.00 29.99 31.11 2khd n HIS 104 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2khd h HIS 105 N 0.00 0.99 -2.83 -1.40 6.17 -1.99 -3.44 115.15 112.64 2khd h HIS 105 Ca 0.00 -0.17 -0.12 0.00 0.71 0.00 0.00 60.37 60.79 2khd h HIS 105 Cb 0.52 -0.26 -0.23 0.00 2.52 0.00 0.00 27.41 29.96 2khd h HIS 105 CO 0.00 0.91 -0.25 -3.38 0.71 0.00 0.00 177.93 175.92 2khd s HIS 106 N -5.04 -0.37 -0.15 5.26 -3.43 -1.26 -5.07 115.29 105.23 2khd s HIS 106 Ca -0.12 0.83 -0.12 0.00 -0.80 0.00 0.00 55.06 54.85 2khd s HIS 106 Cb 0.12 0.14 -0.08 0.00 -1.43 0.00 0.00 32.58 31.34 2khd s HIS 106 CO 0.83 -0.27 -0.00 1.25 -2.00 0.00 0.00 174.74 174.54 2khd h HIS 107 N 4.98 0.00 0.00 0.38 2.76 -1.93 -3.49 115.15 117.85 2khd h HIS 107 Ca -0.28 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 2khd h HIS 107 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 2khd h HIS 107 CO 0.43 0.41 0.00 0.72 -1.30 0.00 0.00 177.93 178.19