#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 5.58 0.39 7.83 0.01 -1.26 -4.84 113.70 121.42 2khd s SER 2 Ca 0.00 2.04 0.00 0.00 1.31 0.00 0.00 55.95 59.30 2khd s SER 2 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2khd s SER 2 CO 0.00 -1.31 0.00 0.59 0.41 0.00 0.00 173.24 172.93 2khd n ASN 3 N -1.75 -2.33 -2.71 2.44 3.02 -1.26 -4.77 115.26 107.89 2khd n ASN 3 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2khd n ASN 3 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 2khd n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2khd n GLN 4 N -0.77 -0.26 -2.92 3.52 6.02 -1.26 -4.75 117.38 116.96 2khd n GLN 4 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 2khd n GLN 4 Cb 0.00 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.25 2khd n GLN 4 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2khd n THR 5 N -1.80 -7.11 -2.69 5.09 -1.04 -1.26 -4.83 114.28 100.64 2khd n THR 5 Ca 0.00 1.27 -0.06 0.00 -2.04 0.00 0.00 64.05 63.22 2khd n THR 5 Cb 0.00 -4.87 0.08 0.00 -1.82 0.00 0.00 70.33 63.72 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 0.25 5.06 -1.42 0.00 -7.23 -1.26 -4.80 120.40 111.01 2khd s VAL 7 Ca 0.26 1.02 0.24 0.00 -1.81 0.00 0.00 61.98 61.69 2khd s VAL 7 Cb 0.24 -3.88 0.01 0.00 0.56 0.00 0.00 36.38 33.31 2khd s VAL 7 CO -0.14 0.13 1.24 -1.84 -0.31 0.00 0.00 175.10 174.18 2khd n GLU 8 N 5.10 0.48 -2.31 4.82 0.28 -1.26 -4.94 120.64 122.81 2khd n GLU 8 Ca -0.03 -0.35 -0.36 0.00 -0.16 0.00 0.00 57.16 56.26 2khd n GLU 8 Cb 0.50 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 31.87 2khd n GLU 8 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2khd s ASN 9 N -2.76 6.03 -0.27 -1.84 0.02 -1.26 -5.04 114.94 109.82 2khd s ASN 9 Ca 0.15 2.19 -0.05 0.00 -1.02 0.00 0.00 52.86 54.13 2khd s ASN 9 Cb 0.18 -2.59 0.14 0.00 0.02 0.00 0.00 41.25 39.00 2khd s ASN 9 CO 0.67 -1.01 0.53 -0.70 0.02 0.00 0.00 177.10 176.62 2khd s GLU 10 N -3.01 0.48 0.22 -0.60 2.56 -1.26 -5.14 118.70 111.95 2khd s GLU 10 Ca 0.68 1.03 -0.30 0.00 0.00 0.00 0.00 54.97 56.38 2khd s GLU 10 Cb -0.25 0.37 -0.09 0.00 2.00 0.00 0.00 34.13 36.17 2khd s GLU 10 CO 0.29 -0.45 1.20 0.54 -0.56 0.00 0.00 175.26 176.29 2khd s VAL 11 N 2.76 3.44 0.20 3.70 0.11 -1.26 -5.02 120.40 124.31 2khd s VAL 11 Ca 0.08 1.26 -0.11 0.00 -2.93 0.00 0.00 61.98 60.28 2khd s VAL 11 Cb -0.14 -3.80 -0.00 0.00 -1.53 0.00 0.00 36.38 30.91 2khd s VAL 11 CO -0.18 0.22 0.38 0.00 -3.33 0.00 0.00 175.10 172.19 2khd n GLU 13 N -0.29 0.83 -0.77 0.00 4.07 -1.26 -4.92 120.64 118.30 2khd n GLU 13 Ca -0.06 -2.46 -0.03 0.00 -0.06 0.00 0.00 57.16 54.56 2khd n GLU 13 Cb 0.63 -1.35 -0.01 0.00 -0.06 0.00 0.00 31.44 30.65 2khd n GLU 13 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2khd n ALA 14 N 1.15 -0.04 -3.25 4.31 0.00 -1.26 -4.81 120.51 116.61 2khd n ALA 14 Ca 0.14 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 2khd n ALA 14 Cb 0.62 -0.50 -0.13 0.00 0.00 0.00 0.00 19.45 19.44 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 3.34 0.63 0.32 0.00 0.00 -1.26 -4.92 105.19 103.30 2khd n GLY 16 Ca -0.16 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 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 -5.37 3.23 0.00 0.00 0.00 -1.26 -4.87 121.76 113.50 2khd s ALA 18 Ca -0.12 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2khd s ALA 18 Cb 0.15 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2khd s ALA 18 CO 0.84 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.57 2khd n GLY 19 N 0.73 0.00 3.75 0.00 0.00 -1.26 -5.15 105.19 103.25 2khd n GLY 19 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2khd n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2khd s GLU 20 N 0.00 3.01 -0.21 1.61 1.03 -1.26 -4.97 118.70 117.90 2khd s GLU 20 Ca 0.00 2.16 -0.13 0.00 0.03 0.00 0.00 54.97 57.03 2khd s GLU 20 Cb 0.00 -2.14 -0.05 0.00 -0.80 0.00 0.00 34.13 31.14 2khd s GLU 20 CO 0.00 -1.27 0.27 0.42 -1.33 0.00 0.00 175.26 173.35 2khd s ILE 21 N -1.35 5.29 0.00 1.83 1.09 -1.26 -4.88 121.20 121.93 2khd s ILE 21 Ca 0.74 0.44 0.00 0.00 -1.10 0.00 0.00 60.65 60.73 2khd s ILE 21 Cb -0.39 -3.60 0.00 0.00 -1.06 0.00 0.00 42.46 37.41 2khd s ILE 21 CO 0.45 0.32 0.00 0.61 -0.10 0.00 0.00 174.94 176.22 2khd n GLY 22 N 3.97 -0.65 3.87 6.18 0.00 -1.26 -5.14 105.19 112.16 2khd n GLY 22 Ca -0.12 0.45 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 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 3.43 -0.30 1.61 0.08 -1.26 -5.10 117.98 116.45 2khd s PHE 23 Ca 0.00 0.23 -0.12 0.00 0.12 0.00 0.00 56.93 57.16 2khd s PHE 23 Cb 0.00 -1.74 0.13 0.00 -0.57 0.00 0.00 43.02 40.84 2khd s PHE 23 CO 0.00 0.58 0.73 -1.50 -0.10 0.00 0.00 175.22 174.93 2khd s ILE 24 N -1.42 -0.78 0.00 0.64 2.07 -1.26 -5.09 121.20 115.35 2khd s ILE 24 Ca 0.31 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 2khd s ILE 24 Cb -0.13 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.46 2khd s ILE 24 CO 0.24 0.00 0.00 -0.38 -1.91 0.00 0.00 174.94 172.89 2khd n ILE 25 N 5.20 0.00 -0.16 2.00 5.41 -1.26 -4.97 119.36 125.58 2khd n ILE 25 Ca -0.12 0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.86 2khd n ILE 25 Cb 0.51 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 2khd n ILE 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2khd n ARG 26 N -1.31 0.95 -1.31 0.38 0.63 -1.26 -5.16 116.66 109.58 2khd n ARG 26 Ca 0.00 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.07 2khd n ARG 26 Cb 0.00 -0.08 -0.08 0.00 0.45 0.00 0.00 32.46 32.75 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 0.00 -2.81 0.00 -0.14 1.02 -1.26 -5.03 120.64 112.42 2khd n GLU 27 Ca 0.00 2.30 0.00 0.00 -0.02 0.00 0.00 57.16 59.44 2khd n GLU 27 Cb 0.00 -3.35 0.00 0.00 -0.02 0.00 0.00 31.44 28.07 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 -4.05 -0.04 0.19 0.62 0.00 -1.26 -4.63 105.19 96.02 2khd n GLY 28 Ca -0.08 -2.27 0.14 0.00 0.00 0.00 0.00 46.02 43.81 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 0.00 0.00 0.00 1.61 3.32 -1.97 -1.46 116.42 117.92 2khd h ASP 29 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2khd h ASP 29 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2khd h ASP 29 CO 0.00 0.00 -0.00 0.47 -1.72 0.00 0.00 179.24 177.99 2khd n ASP 30 N -2.60 0.43 -4.12 6.45 8.00 -1.26 -4.40 116.55 119.05 2khd n ASP 30 Ca 0.02 -1.13 -0.25 0.00 0.71 0.00 0.00 54.79 54.13 2khd n ASP 30 Cb 0.27 -0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.21 2khd n ASP 30 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2khd s VAL 31 N -2.01 1.36 0.20 2.53 1.01 -0.55 -0.28 120.40 122.66 2khd s VAL 31 Ca 0.45 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.83 2khd s VAL 31 Cb 0.22 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2khd s VAL 31 CO 0.36 0.40 -0.03 0.00 0.00 0.00 0.00 175.10 175.83 2khd s ALA 32 N 0.05 3.13 -0.22 5.51 0.00 0.93 -4.61 121.76 126.54 2khd s ALA 32 Ca -0.04 -1.46 -0.06 0.00 0.00 0.00 0.00 51.96 50.40 2khd s ALA 32 Cb -0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 2khd s ALA 32 CO 0.02 0.43 0.04 -2.00 0.00 0.00 0.00 175.76 174.24 2khd s GLU 33 N -3.08 3.66 -0.05 0.00 2.12 -1.26 -1.98 118.70 118.11 2khd s GLU 33 Ca 0.28 -0.49 0.03 0.00 0.36 0.00 0.00 54.97 55.15 2khd s GLU 33 Cb -0.08 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.11 2khd s GLU 33 CO 0.18 -0.05 -0.15 0.08 -0.54 0.00 0.00 175.26 174.78 2khd s VAL 34 N 1.22 1.27 -0.11 3.70 1.01 -0.22 -4.99 120.40 122.28 2khd s VAL 34 Ca 0.04 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 2khd s VAL 34 Cb -0.14 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.15 2khd s VAL 34 CO 0.02 0.38 0.31 -0.55 0.00 0.00 0.00 175.10 175.26 2khd s SER 35 N 0.33 -0.31 0.08 3.32 0.15 -1.26 -0.58 113.70 115.42 2khd s SER 35 Ca -0.09 0.57 0.05 0.00 0.70 0.00 0.00 55.95 57.18 2khd s SER 35 Cb -0.13 0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 64.75 2khd s SER 35 CO 0.03 -0.14 -0.14 -0.76 1.20 0.00 0.00 173.24 173.43 2khd s LEU 36 N 0.01 2.31 0.07 3.45 1.02 -0.92 -4.95 118.68 119.67 2khd s LEU 36 Ca -0.01 -0.66 -0.05 0.00 0.02 0.00 0.00 54.13 53.43 2khd s LEU 36 Cb -0.03 -0.50 -0.02 0.00 0.02 0.00 0.00 46.19 45.67 2khd s LEU 36 CO 0.01 -0.10 0.09 0.72 0.02 0.00 0.00 176.35 177.08 2khd s PHE 37 N -1.50 0.32 0.00 0.29 -0.12 -1.26 0.10 117.98 115.81 2khd s PHE 37 Ca 0.00 -0.80 0.00 0.00 -0.05 0.00 0.00 56.93 56.08 2khd s PHE 37 Cb -0.09 -0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.09 2khd s PHE 37 CO 0.02 -0.46 0.00 0.41 -0.05 0.00 0.00 175.22 175.14 2khd n GLY 38 N 0.06 3.02 7.00 1.99 0.00 -1.01 -5.00 105.19 111.24 2khd n GLY 38 Ca -0.15 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2khd n GLY 38 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2khd n SER 39 N 0.00 -3.63 -4.34 1.61 2.88 -1.26 -4.67 113.62 104.21 2khd n SER 39 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 2khd n SER 39 Cb 0.00 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 2khd n SER 39 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2khd s ASP 40 N -4.00 3.59 0.25 -3.46 -4.77 -1.26 -4.78 116.67 102.24 2khd s ASP 40 Ca 0.00 -0.06 -0.05 0.00 -3.30 0.00 0.00 52.55 49.14 2khd s ASP 40 Cb 0.00 -0.11 0.28 0.00 -1.09 0.00 0.00 42.92 42.00 2khd s ASP 40 CO 0.00 -2.39 1.84 0.50 0.70 0.00 0.00 175.17 175.82 2khd h LYS 41 N -1.18 1.11 -0.88 2.11 3.64 -1.66 -2.60 116.57 117.12 2khd h LYS 41 Ca -0.40 -0.16 0.13 0.00 -1.27 0.00 0.00 60.65 58.95 2khd h LYS 41 Cb 1.24 -0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 32.78 2khd h LYS 41 CO 0.38 0.86 0.49 0.00 -2.27 0.00 0.00 179.45 178.91 2khd h ALA 42 N 1.29 1.32 -0.51 5.00 0.00 -1.94 0.11 119.26 124.54 2khd h ALA 42 Ca 0.27 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 2khd h ALA 42 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2khd h ALA 42 CO -0.03 0.01 -0.05 1.25 0.00 0.00 0.00 179.25 180.43 2khd h HIS 43 N 0.74 1.03 -0.80 0.00 -0.00 -1.83 -2.55 115.15 111.74 2khd h HIS 43 Ca 0.46 -0.20 -0.05 0.00 -0.00 0.00 0.00 60.37 60.59 2khd h HIS 43 Cb 0.57 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.68 2khd h HIS 43 CO -0.06 0.97 0.32 -0.07 -0.00 0.00 0.00 177.93 179.09 2khd h LEU 44 N 0.80 1.10 -0.99 0.26 3.38 -0.89 -2.44 115.31 116.54 2khd h LEU 44 Ca 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2khd h LEU 44 Cb 0.59 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2khd h LEU 44 CO 0.04 0.97 0.50 -0.33 0.09 0.00 0.00 178.44 179.71 2khd h GLU 45 N 1.17 1.21 -0.09 1.13 5.08 -0.65 0.44 114.58 122.87 2khd h GLU 45 Ca 0.27 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2khd h GLU 45 Cb 0.21 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2khd h GLU 45 CO -0.02 0.87 0.05 0.78 -1.00 0.00 0.00 179.01 179.69 2khd h GLY 46 N 1.23 0.12 1.28 -3.84 0.00 -1.03 -0.47 103.07 100.36 2khd h GLY 46 Ca 0.31 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.51 2khd h GLY 46 CO -0.05 0.05 -0.04 0.50 0.00 0.00 0.00 176.54 177.00 2khd h LYS 47 N 0.10 0.87 -0.47 4.80 1.57 -1.20 -2.51 116.57 119.72 2khd h LYS 47 Ca 0.03 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 2khd h LYS 47 Cb 0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2khd h LYS 47 CO -0.01 0.89 0.22 1.25 -0.57 0.00 0.00 179.45 181.23 2khd h LEU 48 N 0.80 0.63 -0.72 2.94 7.12 -0.49 0.26 115.31 125.85 2khd h LEU 48 Ca 0.15 -0.14 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 2khd h LEU 48 Cb 0.53 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.46 2khd h LEU 48 CO 0.03 0.59 0.35 0.00 -0.13 0.00 0.00 178.44 179.28 2khd h ALA 49 N 1.06 0.92 -0.28 1.25 0.00 -0.92 -1.12 119.26 120.18 2khd h ALA 49 Ca 0.16 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2khd h ALA 49 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2khd h ALA 49 CO -0.02 0.48 -0.39 1.49 0.00 0.00 0.00 179.25 180.81 2khd h GLU 50 N 1.00 0.66 -0.58 0.00 4.81 -1.11 -2.53 114.58 116.83 2khd h GLU 50 Ca 0.25 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2khd h GLU 50 Cb 0.10 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2khd h GLU 50 CO -0.03 0.94 0.30 1.88 -0.73 0.00 0.00 179.01 181.36 2khd h TYR 51 N 0.54 0.81 -0.53 0.92 -1.99 0.04 -1.72 116.97 115.04 2khd h TYR 51 Ca 0.05 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 2khd h TYR 51 Cb 0.91 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.37 2khd h TYR 51 CO 0.04 0.60 0.19 0.82 -0.00 0.00 0.00 178.16 179.81 2khd h ILE 52 N 0.78 1.23 -0.78 -2.88 2.04 -1.10 -1.90 117.51 114.89 2khd h ILE 52 Ca 0.20 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2khd h ILE 52 Cb 0.08 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 2khd h ILE 52 CO -0.03 0.28 0.45 0.77 0.00 0.00 0.00 178.15 179.62 2khd h SER 53 N 0.72 0.95 -0.52 1.72 4.64 -1.12 0.15 113.55 120.09 2khd h SER 53 Ca 0.17 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 2khd h SER 53 Cb 0.24 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2khd h SER 53 CO -0.01 0.75 0.10 -0.07 -0.87 0.00 0.00 176.83 176.73 2khd h LEU 54 N 1.07 0.82 -0.78 5.97 3.38 -1.10 -1.84 115.31 122.83 2khd h LEU 54 Ca 0.28 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2khd h LEU 54 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2khd h LEU 54 CO -0.05 0.86 -0.17 0.00 0.09 0.00 0.00 178.44 179.17 2khd h ALA 55 N 0.99 0.96 -0.48 1.53 0.00 -0.92 -1.75 119.26 119.58 2khd h ALA 55 Ca 0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2khd h ALA 55 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2khd h ALA 55 CO 0.01 0.61 0.19 -0.22 0.00 0.00 0.00 179.25 179.84 2khd h LYS 56 N 0.66 0.72 -0.35 0.00 3.64 -0.41 0.40 116.57 121.24 2khd h LYS 56 Ca 0.10 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2khd h LYS 56 Cb 0.66 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2khd h LYS 56 CO 0.05 0.65 0.00 1.96 -2.27 0.00 0.00 179.45 179.84 2khd h GLN 57 N 0.64 0.61 -0.33 1.90 4.20 -1.18 -3.07 115.11 117.88 2khd h GLN 57 Ca 0.16 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2khd h GLN 57 Cb 0.20 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2khd h GLN 57 CO -0.01 0.73 0.05 0.28 -0.67 0.00 0.00 178.83 179.21 2khd h VAL 58 N 0.42 1.24 -3.32 -0.54 2.07 -1.12 -3.42 116.25 111.58 2khd h VAL 58 Ca 0.10 -0.82 -0.59 0.00 0.82 0.00 0.00 66.70 66.21 2khd h VAL 58 Cb 0.45 1.13 -0.34 0.00 -1.52 0.00 0.00 31.29 31.01 2khd h VAL 58 CO 0.02 0.27 -0.84 -0.47 0.02 0.00 0.00 177.57 176.57 2khd s TYR 59 N -5.18 1.96 0.55 1.57 5.04 0.14 -5.09 117.35 116.34 2khd s TYR 59 Ca -0.13 -0.86 -0.20 0.00 -2.44 0.00 0.00 57.07 53.44 2khd s TYR 59 Cb 0.09 -1.39 -0.05 0.00 0.35 0.00 0.00 41.96 40.96 2khd s TYR 59 CO 0.76 -0.42 1.21 0.00 -1.34 0.00 0.00 175.55 175.76 2khd s ALA 60 N 0.78 2.69 -0.94 3.97 0.00 -1.23 -3.75 121.76 123.27 2khd s ALA 60 Ca -0.11 1.01 -0.10 0.00 0.00 0.00 0.00 51.96 52.76 2khd s ALA 60 Cb -0.16 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.53 2khd s ALA 60 CO 0.02 -1.03 0.65 0.27 0.00 0.00 0.00 175.76 175.66 2khd n ASN 61 N -1.24 -4.98 -4.76 0.00 6.94 -1.26 -4.90 115.26 105.07 2khd n ASN 61 Ca 0.12 -0.98 -0.39 0.00 -0.02 0.00 0.00 54.58 53.30 2khd n ASN 61 Cb 0.49 -2.13 -0.05 0.00 -2.36 0.00 0.00 39.78 35.73 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 -3.16 4.67 0.02 3.53 0.11 -1.25 -5.06 120.40 119.27 2khd s VAL 62 Ca 0.16 1.56 0.04 0.00 -2.93 0.00 0.00 61.98 60.81 2khd s VAL 62 Cb -0.08 -4.08 -0.03 0.00 -1.53 0.00 0.00 36.38 30.66 2khd s VAL 62 CO 0.90 0.42 -0.09 -1.61 -3.33 0.00 0.00 175.10 171.40 2khd s GLU 63 N -0.41 2.42 0.12 1.54 2.02 -1.26 -4.98 118.70 118.16 2khd s GLU 63 Ca 0.36 -0.81 -0.11 0.00 0.02 0.00 0.00 54.97 54.43 2khd s GLU 63 Cb -0.21 -2.43 0.01 0.00 0.10 0.00 0.00 34.13 31.61 2khd s GLU 63 CO 0.23 0.58 0.29 1.52 0.02 0.00 0.00 175.26 177.89 2khd s TYR 64 N -1.02 0.09 0.00 1.61 1.13 -1.26 -1.93 117.35 115.98 2khd s TYR 64 Ca 0.17 -0.47 -0.02 0.00 -1.41 0.00 0.00 57.07 55.34 2khd s TYR 64 Cb -0.11 0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.80 2khd s TYR 64 CO 0.08 -0.65 0.02 -1.21 -2.51 0.00 0.00 175.55 171.28 2khd s GLU 65 N -3.87 0.24 -0.06 -3.49 0.41 -0.79 -4.99 118.70 106.14 2khd s GLU 65 Ca 0.07 -0.32 0.03 0.00 -0.41 0.00 0.00 54.97 54.34 2khd s GLU 65 Cb 0.03 0.09 0.01 0.00 -1.78 0.00 0.00 34.13 32.48 2khd s GLU 65 CO -0.08 -0.04 -0.15 0.54 -0.49 0.00 0.00 175.26 175.04 2khd s VAL 66 N -0.88 1.30 0.78 2.63 0.11 -1.26 -1.46 120.40 121.61 2khd s VAL 66 Ca -0.10 -0.59 -0.12 0.00 -2.93 0.00 0.00 61.98 58.24 2khd s VAL 66 Cb -0.06 -1.16 0.06 0.00 -1.53 0.00 0.00 36.38 33.69 2khd s VAL 66 CO -0.00 0.39 1.13 0.00 -3.33 0.00 0.00 175.10 173.29 2khd s ALA 67 N 0.46 2.62 0.05 1.54 0.00 -1.04 -4.95 121.76 120.44 2khd s ALA 67 Ca -0.12 -0.46 -0.35 0.00 0.00 0.00 0.00 51.96 51.02 2khd s ALA 67 Cb -0.15 -3.01 -0.15 0.00 0.00 0.00 0.00 23.12 19.82 2khd s ALA 67 CO 0.04 -1.52 1.56 -2.30 0.00 0.00 0.00 175.76 173.54 2khd n PRO 68 N -3.25 1.73 -4.34 0.00 -0.02 -1.26 -4.78 135.00 123.07 2khd n PRO 68 Ca 0.07 0.63 -0.21 0.00 -2.02 0.00 0.00 63.50 61.97 2khd n PRO 68 Cb 0.59 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 31.55 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 1.52 0.75 0.54 -1.45 1.01 -1.26 -4.91 120.40 116.60 2khd s VAL 69 Ca 0.85 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 2khd s VAL 69 Cb -0.81 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 2khd s VAL 69 CO 0.46 0.25 0.94 0.00 0.00 0.00 0.00 175.10 176.75 2khd s ALA 70 N 0.46 3.18 0.25 5.51 0.00 -1.26 -4.96 121.76 124.94 2khd s ALA 70 Ca -0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 2khd s ALA 70 Cb -0.11 -2.96 0.30 0.00 0.00 0.00 0.00 23.12 20.35 2khd s ALA 70 CO 0.01 -0.42 1.79 0.22 0.00 0.00 0.00 175.76 177.35 2khd h ASP 71 N 0.30 0.88 -0.44 0.00 3.58 -2.00 -1.86 116.42 116.88 2khd h ASP 71 Ca -0.46 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 56.83 2khd h ASP 71 Cb 1.19 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2khd h ASP 71 CO 0.62 0.85 0.00 0.59 -2.88 0.00 0.00 179.24 178.42 2khd n ASN 72 N -4.26 2.92 -4.76 2.28 5.03 -1.26 -2.40 115.26 112.82 2khd n ASN 72 Ca 0.04 -2.17 -0.38 0.00 0.87 0.00 0.00 54.58 52.95 2khd n ASN 72 Cb 0.24 -0.40 0.02 0.00 -1.02 0.00 0.00 39.78 38.62 2khd n ASN 72 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2khd s ALA 73 N -1.59 2.87 -2.01 5.41 0.00 -0.70 -4.93 121.76 120.81 2khd s ALA 73 Ca 0.32 1.17 0.21 0.00 0.00 0.00 0.00 51.96 53.67 2khd s ALA 73 Cb 0.19 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.82 2khd s ALA 73 CO 0.18 -1.10 1.06 -2.37 0.00 0.00 0.00 175.76 173.53 2khd n THR 74 N -0.84 0.00 -3.87 0.00 5.66 -1.26 -4.32 114.28 109.64 2khd n THR 74 Ca 0.09 -0.29 -0.11 0.00 -3.05 0.00 0.00 64.05 60.69 2khd n THR 74 Cb 0.46 1.27 -0.10 0.00 -1.55 0.00 0.00 70.33 70.41 2khd n THR 74 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2khd s GLU 75 N -2.33 0.41 -0.04 1.09 2.12 -1.26 -2.41 118.70 116.27 2khd s GLU 75 Ca 0.18 -0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.25 2khd s GLU 75 Cb 0.17 0.17 -0.00 0.00 0.26 0.00 0.00 34.13 34.73 2khd s GLU 75 CO 0.52 -0.09 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.81 2khd s LEU 76 N -1.11 1.91 -0.16 2.70 0.20 0.11 -4.90 118.68 117.44 2khd s LEU 76 Ca -0.12 -0.35 -0.05 0.00 0.69 0.00 0.00 54.13 54.31 2khd s LEU 76 Cb -0.07 -0.96 -0.03 0.00 -0.43 0.00 0.00 46.19 44.70 2khd s LEU 76 CO 0.01 0.15 -0.01 -1.00 -0.29 0.00 0.00 176.35 175.21 2khd s HIS 77 N 0.04 3.08 0.03 5.38 3.76 -1.26 -2.17 115.29 124.16 2khd s HIS 77 Ca -0.04 -0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 54.54 2khd s HIS 77 Cb -0.11 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.59 2khd s HIS 77 CO 0.02 -0.00 0.24 0.00 -0.85 0.00 0.00 174.74 174.15 2khd s ALA 78 N 0.40 -0.52 0.06 -1.40 0.00 0.25 -2.51 121.76 118.03 2khd s ALA 78 Ca -0.02 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2khd s ALA 78 Cb -0.14 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 2khd s ALA 78 CO 0.02 -0.36 -0.12 1.03 0.00 0.00 0.00 175.76 176.34 2khd s ARG 79 N -2.35 0.71 0.10 0.00 0.52 -0.54 -1.05 118.95 116.34 2khd s ARG 79 Ca -0.07 -0.84 0.07 0.00 -0.52 0.00 0.00 55.73 54.37 2khd s ARG 79 Cb -0.02 -0.63 -0.03 0.00 0.52 0.00 0.00 34.95 34.79 2khd s ARG 79 CO -0.02 0.14 -0.18 -0.06 0.02 0.00 0.00 175.30 175.20 2khd s PHE 80 N -1.24 1.54 -0.30 -0.53 0.40 -0.84 -1.89 117.98 115.12 2khd s PHE 80 Ca -0.05 -0.45 -0.05 0.00 -0.60 0.00 0.00 56.93 55.78 2khd s PHE 80 Cb -0.10 -0.85 0.03 0.00 0.51 0.00 0.00 43.02 42.61 2khd s PHE 80 CO 0.01 0.15 0.06 0.21 0.70 0.00 0.00 175.22 176.35 2khd s LYS 81 N -1.95 2.83 0.02 0.44 2.20 -0.81 -0.05 119.74 122.42 2khd s LYS 81 Ca 0.04 -1.02 0.04 0.00 -0.36 0.00 0.00 55.97 54.67 2khd s LYS 81 Cb -0.09 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2khd s LYS 81 CO 0.04 -0.52 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.37 2khd s PHE 82 N 1.41 2.86 0.21 4.03 0.08 0.62 -4.37 117.98 122.82 2khd s PHE 82 Ca 0.00 -0.06 -0.06 0.00 0.12 0.00 0.00 56.93 56.93 2khd s PHE 82 Cb -0.18 -1.58 0.16 0.00 -0.57 0.00 0.00 43.02 40.85 2khd s PHE 82 CO 0.01 0.38 1.66 1.49 -0.10 0.00 0.00 175.22 178.66 2khd h GLU 83 N 4.36 0.93 -4.64 0.44 4.57 -1.93 -3.41 114.58 114.90 2khd h GLU 83 Ca -0.48 -0.31 -0.23 0.00 -1.18 0.00 0.00 59.36 57.16 2khd h GLU 83 Cb 1.17 -0.08 -0.15 0.00 -0.16 0.00 0.00 28.75 29.53 2khd h GLU 83 CO 0.54 0.96 -0.69 0.14 -1.18 0.00 0.00 179.01 178.78 2khd s VAL 84 N -4.89 0.62 -0.29 0.32 -7.23 -1.26 -4.86 120.40 102.80 2khd s VAL 84 Ca -0.11 -1.93 0.27 0.00 -1.81 0.00 0.00 61.98 58.40 2khd s VAL 84 Cb 0.14 -1.78 0.30 0.00 0.56 0.00 0.00 36.38 35.59 2khd s VAL 84 CO 0.84 -0.78 1.81 0.28 -0.31 0.00 0.00 175.10 176.94 2khd h SER 85 N 2.92 0.00 -0.73 4.85 0.02 -1.88 -3.05 113.55 115.68 2khd h SER 85 Ca -0.35 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2khd h SER 85 Cb 1.17 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 2khd h SER 85 CO 0.64 0.00 0.45 0.00 -1.14 0.00 0.00 176.83 176.78 2khd h ALA 86 N 2.18 0.93 -0.14 3.77 0.00 -1.95 -1.69 119.26 122.37 2khd h ALA 86 Ca 0.00 -0.08 -0.13 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 0.40 -0.49 0.93 0.00 0.00 0.00 179.25 180.09 2khd h GLU 87 N 1.00 0.38 -0.26 0.00 3.07 -1.97 -2.64 114.58 114.16 2khd h GLU 87 Ca 0.26 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 2khd h GLU 87 Cb -0.04 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 2khd h GLU 87 CO -0.05 0.78 0.14 -0.22 -1.40 0.00 0.00 179.01 178.26 2khd h LYS 88 N 0.30 0.37 -0.34 2.33 3.64 -1.45 0.53 116.57 121.95 2khd h LYS 88 Ca 0.01 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2khd h LYS 88 Cb 0.97 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2khd h LYS 88 CO 0.08 0.34 0.13 1.25 -2.27 0.00 0.00 179.45 178.98 2khd h LEU 89 N 0.31 0.47 -0.34 5.20 5.85 -1.27 0.11 115.31 125.63 2khd h LEU 89 Ca 0.09 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 2khd h LEU 89 Cb 0.08 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2khd h LEU 89 CO -0.01 0.52 0.01 0.40 -0.34 0.00 0.00 178.44 179.01 2khd h ILE 90 N 0.40 1.25 -0.50 4.05 2.04 -1.27 -2.71 117.51 120.78 2khd h ILE 90 Ca 0.11 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 2khd h ILE 90 Cb 0.20 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2khd h ILE 90 CO -0.01 0.31 0.21 0.15 0.00 0.00 0.00 178.15 178.82 2khd h PHE 91 N 0.41 0.74 0.56 1.37 3.57 0.21 0.18 116.94 123.99 2khd h PHE 91 Ca 0.10 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2khd h PHE 91 Cb 0.44 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2khd h PHE 91 CO 0.03 0.61 -0.46 1.49 -2.23 0.00 0.00 178.31 177.76 2khd h GLU 92 N 0.66 -0.96 -0.67 1.11 4.57 -0.69 0.09 114.58 118.68 2khd h GLU 92 Ca 0.17 0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.35 2khd h GLU 92 Cb 0.17 0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 2khd h GLU 92 CO -0.02 -0.64 0.15 -0.07 -1.18 0.00 0.00 179.01 177.25 2khd h LEU 93 N -1.00 1.01 -0.27 1.64 4.07 -1.47 -1.59 115.31 117.70 2khd h LEU 93 Ca -0.07 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.67 2khd h LEU 93 Cb 0.85 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 2khd h LEU 93 CO -0.01 0.98 0.15 0.50 -1.08 0.00 0.00 178.44 178.98 2khd h LYS 94 N 1.01 0.38 -0.41 1.13 3.64 -0.73 0.30 116.57 121.89 2khd h LYS 94 Ca 0.21 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.40 2khd h LYS 94 Cb 0.37 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2khd h LYS 94 CO 0.00 0.34 -0.28 1.79 -2.27 0.00 0.00 179.45 179.03 2khd h THR 95 N 0.32 1.27 -0.66 1.00 1.35 -0.89 -2.35 112.91 112.96 2khd h THR 95 Ca 0.10 -1.45 -0.07 0.00 -0.55 0.00 0.00 66.41 64.44 2khd h THR 95 Cb 0.07 1.30 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 2khd h THR 95 CO -0.01 0.49 0.13 0.03 -0.25 0.00 0.00 175.52 175.91 2khd h ARG 96 N 0.74 1.07 -0.62 4.72 3.08 -1.10 -2.48 114.38 119.79 2khd h ARG 96 Ca 0.08 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 2khd h ARG 96 Cb 0.87 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 2khd h ARG 96 CO 0.08 0.97 0.31 0.00 -1.07 0.00 0.00 179.97 180.26 2khd h ALA 97 N 1.05 1.38 -0.42 0.04 0.00 -0.27 -1.86 119.26 119.18 2khd h ALA 97 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2khd h ALA 97 Cb 0.40 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2khd h ALA 97 CO 0.01 0.49 0.19 1.25 0.00 0.00 0.00 179.25 181.19 2khd h LEU 98 N 0.87 0.55 -1.88 0.00 6.46 -0.98 -1.71 115.31 118.62 2khd h LEU 98 Ca 0.22 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2khd h LEU 98 Cb 0.07 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 2khd h LEU 98 CO -0.03 0.54 -0.03 0.00 -0.62 0.00 0.00 178.44 178.30 2khd h ALA 99 N 1.04 1.03 -0.03 1.25 0.00 -1.12 -1.10 119.26 120.33 2khd h ALA 99 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2khd h ALA 99 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2khd h ALA 99 CO -0.02 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.81 2khd n ARG 100 N -3.17 1.17 0.00 0.00 1.74 -0.65 -3.10 116.66 112.64 2khd n ARG 100 Ca -0.01 -0.25 0.14 0.00 -0.77 0.00 0.00 57.85 56.96 2khd n ARG 100 Cb 0.25 -1.34 0.57 0.00 -1.02 0.00 0.00 32.46 30.93 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 -0.56 0.59 -4.74 0.55 4.77 -0.42 -4.88 117.00 112.32 2khd n LEU 101 Ca 0.15 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 2khd n LEU 101 Cb 0.13 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2khd n LEU 101 CO 0.12 0.11 1.27 -0.62 -1.33 0.00 0.00 177.39 176.94 2khd n GLU 102 N -0.86 2.71 -2.68 3.23 -0.58 -1.18 -4.90 120.64 116.37 2khd n GLU 102 Ca 0.14 0.97 -0.40 0.00 -0.42 0.00 0.00 57.16 57.45 2khd n GLU 102 Cb 0.29 -2.77 0.01 0.00 -0.57 0.00 0.00 31.44 28.41 2khd n GLU 102 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2khd n HIS 103 N 2.63 2.88 -0.30 -0.32 -0.00 -1.26 -4.43 115.22 114.44 2khd n HIS 103 Ca 0.11 -2.70 0.00 0.00 -0.00 0.00 0.00 57.72 55.12 2khd n HIS 103 Cb 0.36 -1.13 0.00 0.00 -0.00 0.00 0.00 29.99 29.22 2khd n HIS 103 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2khd n HIS 104 N -0.04 0.00 -0.60 1.57 8.25 -1.26 -4.96 115.22 118.18 2khd n HIS 104 Ca 0.45 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 2khd n HIS 104 Cb 0.27 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 -0.23 0.00 -4.21 4.41 8.25 -1.26 -4.86 115.22 117.32 2khd n HIS 105 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2khd n HIS 105 Cb 0.24 -1.40 -0.13 0.00 1.12 0.00 0.00 29.99 29.82 2khd n HIS 105 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2khd s HIS 106 N -0.61 0.84 0.20 4.41 3.76 -1.26 -5.04 115.29 117.59 2khd s HIS 106 Ca 0.00 -0.33 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 2khd s HIS 106 Cb 0.00 -0.51 0.13 0.00 1.11 0.00 0.00 32.58 33.32 2khd s HIS 106 CO 0.00 -0.02 1.64 0.45 -0.85 0.00 0.00 174.74 175.97 2khd h HIS 107 N 5.11 1.04 -0.00 1.40 -0.00 -1.99 -3.49 115.15 117.21 2khd h HIS 107 Ca -0.34 -0.20 0.00 0.00 -0.00 0.00 0.00 60.37 59.83 2khd h HIS 107 Cb 1.19 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 2khd h HIS 107 CO 0.53 0.98 0.00 1.58 -0.00 0.00 0.00 177.93 181.02