#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 -0.87 -4.40 7.83 2.88 -1.26 -4.98 113.62 112.82 2khd n SER 2 Ca 0.00 -2.17 -0.38 0.00 -1.33 0.00 0.00 58.87 54.99 2khd n SER 2 Cb 0.00 0.44 -0.07 0.00 -0.75 0.00 0.00 64.21 63.84 2khd n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2khd n ASN 3 N -1.25 -1.57 0.00 -3.46 0.23 -1.26 -4.90 115.26 103.05 2khd n ASN 3 Ca -0.14 -1.19 0.00 0.00 -0.53 0.00 0.00 54.58 52.72 2khd n ASN 3 Cb 0.86 -1.96 0.00 0.00 -2.08 0.00 0.00 39.78 36.60 2khd n ASN 3 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2khd n GLN 4 N -4.25 0.00 0.00 -3.83 6.02 -1.26 -4.87 117.38 109.18 2khd n GLN 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2khd n GLN 4 Cb 0.52 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 2khd n GLN 4 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2khd n THR 5 N 0.00 0.00 -2.70 5.09 -2.24 -1.26 -4.47 114.28 108.70 2khd n THR 5 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 2khd n THR 5 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 2khd n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2khd s VAL 7 N -0.42 4.52 0.11 0.00 -7.23 -1.26 -4.99 120.40 111.13 2khd s VAL 7 Ca 0.45 2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 62.31 2khd s VAL 7 Cb -0.25 -4.28 -0.09 0.00 0.56 0.00 0.00 36.38 32.33 2khd s VAL 7 CO 0.31 0.26 1.50 -0.70 -0.31 0.00 0.00 175.10 176.17 2khd s GLU 8 N 0.27 4.26 -0.27 4.82 2.12 -1.26 -4.97 118.70 123.67 2khd s GLU 8 Ca 0.49 2.21 -0.17 0.00 0.36 0.00 0.00 54.97 57.86 2khd s GLU 8 Cb -0.24 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.82 2khd s GLU 8 CO 0.30 -0.56 0.49 0.54 -0.54 0.00 0.00 175.26 175.49 2khd s ASN 9 N 1.42 6.39 -0.02 -1.70 4.22 -1.26 -4.91 114.94 119.09 2khd s ASN 9 Ca 0.68 0.43 0.21 0.00 -2.14 0.00 0.00 52.86 52.05 2khd s ASN 9 Cb -0.39 -2.27 -0.27 0.00 1.28 0.00 0.00 41.25 39.60 2khd s ASN 9 CO 0.31 -0.29 0.52 1.21 -2.04 0.00 0.00 177.10 176.81 2khd n GLU 10 N 5.53 0.65 -4.60 3.55 2.13 -1.26 -4.88 120.64 121.76 2khd n GLU 10 Ca -0.05 -0.11 -0.33 0.00 0.66 0.00 0.00 57.16 57.33 2khd n GLU 10 Cb 0.50 -1.57 -0.14 0.00 0.27 0.00 0.00 31.44 30.50 2khd n GLU 10 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2khd s VAL 11 N -3.35 3.37 -0.25 6.31 -7.23 -1.26 -5.08 120.40 112.91 2khd s VAL 11 Ca -0.07 -0.55 -0.03 0.00 -1.81 0.00 0.00 61.98 59.53 2khd s VAL 11 Cb 0.12 -2.44 0.11 0.00 0.56 0.00 0.00 36.38 34.73 2khd s VAL 11 CO 0.88 0.51 0.23 0.00 -0.31 0.00 0.00 175.10 176.41 2khd n GLU 13 N 5.30 0.88 -3.59 0.00 1.02 -1.26 -4.89 120.64 118.11 2khd n GLU 13 Ca -0.04 -0.19 -0.26 0.00 -0.02 0.00 0.00 57.16 56.64 2khd n GLU 13 Cb 0.47 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.44 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 -0.89 -1.21 -2.57 0.62 0.00 -1.26 -4.93 120.51 110.27 2khd n ALA 14 Ca 0.19 0.27 -0.40 0.00 0.00 0.00 0.00 53.44 53.50 2khd n ALA 14 Cb 0.22 -4.56 -0.05 0.00 0.00 0.00 0.00 19.45 15.06 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 2.75 -1.37 3.14 0.00 0.00 -1.26 -5.16 105.19 103.28 2khd n GLY 16 Ca -0.01 0.74 0.07 0.00 0.00 0.00 0.00 46.02 46.82 2khd n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khd n ALA 18 N -0.93 -2.58 -1.76 0.00 0.00 -1.26 -4.86 120.51 109.12 2khd n ALA 18 Ca 0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 53.44 52.62 2khd n ALA 18 Cb 0.23 -3.20 0.01 0.00 0.00 0.00 0.00 19.45 16.49 2khd n ALA 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2khd s GLY 19 N -3.52 2.79 0.37 0.00 0.00 -1.26 -4.95 107.32 100.75 2khd s GLY 19 Ca 0.48 1.05 -0.27 0.00 0.00 0.00 0.00 44.72 45.98 2khd s GLY 19 CO 0.93 1.50 1.28 1.85 0.00 0.00 0.00 173.10 178.67 2khd s GLU 20 N -2.92 4.17 0.14 2.90 2.56 -1.26 -4.93 118.70 119.36 2khd s GLU 20 Ca 0.69 2.14 -0.14 0.00 0.00 0.00 0.00 54.97 57.65 2khd s GLU 20 Cb -0.32 -2.90 0.01 0.00 2.00 0.00 0.00 34.13 32.93 2khd s GLU 20 CO 0.37 -0.32 1.66 0.82 -0.56 0.00 0.00 175.26 177.23 2khd h ILE 21 N 2.72 1.23 -2.63 -3.70 2.04 -2.04 -3.38 117.51 111.75 2khd h ILE 21 Ca -0.49 -0.75 -0.63 0.00 1.00 0.00 0.00 64.86 63.98 2khd h ILE 21 Cb 1.24 0.86 -0.15 0.00 -0.74 0.00 0.00 36.82 38.03 2khd h ILE 21 CO 0.64 0.27 0.57 -0.83 0.00 0.00 0.00 178.15 178.80 2khd s GLY 22 N -3.10 1.41 0.00 5.37 0.00 -1.26 -4.29 107.32 105.45 2khd s GLY 22 Ca -0.13 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 42.68 2khd s GLY 22 CO 0.78 2.06 0.00 0.33 0.00 0.00 0.00 173.10 176.27 2khd n PHE 23 N 7.63 0.00 -0.07 1.90 7.35 -1.26 -4.95 117.46 128.07 2khd n PHE 23 Ca -0.02 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.57 2khd n PHE 23 Cb 0.46 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.33 2khd n PHE 23 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 2khd h ILE 24 N 0.00 1.28 -0.15 -2.13 2.10 -1.85 -3.45 117.51 113.31 2khd h ILE 24 Ca 0.00 -1.53 -0.02 0.00 1.08 0.00 0.00 64.86 64.39 2khd h ILE 24 Cb 0.00 1.42 -0.01 0.00 -1.09 0.00 0.00 36.82 37.14 2khd h ILE 24 CO 0.00 0.50 -0.02 -0.38 -1.08 0.00 0.00 178.15 177.17 2khd n ILE 25 N -4.05 0.00 -1.75 2.19 5.41 -1.26 -1.53 119.36 118.37 2khd n ILE 25 Ca -0.02 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.62 2khd n ILE 25 Cb 0.52 -0.50 -0.03 0.00 -0.71 0.00 0.00 39.64 38.91 2khd n ILE 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2khd n ARG 26 N 0.25 -1.63 -3.22 0.38 1.74 -1.26 -2.63 116.66 110.28 2khd n ARG 26 Ca -0.01 0.63 -0.11 0.00 -0.77 0.00 0.00 57.85 57.59 2khd n ARG 26 Cb 0.24 -4.98 0.01 0.00 -1.02 0.00 0.00 32.46 26.70 2khd n ARG 26 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2khd n GLU 27 N -2.14 -1.68 -0.38 5.56 1.02 -0.58 -4.94 120.64 117.50 2khd n GLU 27 Ca -0.12 1.48 -0.25 0.00 -0.02 0.00 0.00 57.16 58.25 2khd n GLU 27 Cb 0.46 -4.61 0.23 0.00 -0.02 0.00 0.00 31.44 27.50 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 -1.24 -3.14 3.65 0.62 0.00 -1.08 -4.80 105.19 99.20 2khd n GLY 28 Ca -0.05 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 2khd n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2khd s ASP 29 N -2.52 6.53 -0.06 1.61 1.01 -1.26 -4.31 116.67 117.67 2khd s ASP 29 Ca 0.53 2.14 -0.04 0.00 0.71 0.00 0.00 52.55 55.89 2khd s ASP 29 Cb -0.10 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.31 2khd s ASP 29 CO 0.47 -1.05 0.08 0.47 0.21 0.00 0.00 175.17 175.35 2khd n ASP 30 N 7.66 -4.32 -4.12 0.27 8.00 -1.26 -4.39 116.55 118.38 2khd n ASP 30 Ca 0.18 1.32 -0.23 0.00 0.71 0.00 0.00 54.79 56.77 2khd n ASP 30 Cb 0.43 -3.64 -0.15 0.00 -0.02 0.00 0.00 41.12 37.74 2khd n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2khd s VAL 31 N -0.36 1.21 0.17 2.53 0.11 -1.26 -2.07 120.40 120.72 2khd s VAL 31 Ca -0.10 -0.64 0.09 0.00 -2.93 0.00 0.00 61.98 58.40 2khd s VAL 31 Cb 0.01 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2khd s VAL 31 CO 0.26 0.34 -0.12 0.00 -3.33 0.00 0.00 175.10 172.26 2khd s ALA 32 N -0.28 2.89 -0.01 1.54 0.00 -0.25 -4.95 121.76 120.70 2khd s ALA 32 Ca 0.04 -1.46 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 2khd s ALA 32 Cb -0.07 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 2khd s ALA 32 CO -0.00 0.49 0.11 -1.21 0.00 0.00 0.00 175.76 175.15 2khd s GLU 33 N -2.70 3.17 -0.05 0.00 8.01 -1.26 -1.19 118.70 124.68 2khd s GLU 33 Ca 0.24 -0.44 0.04 0.00 0.01 0.00 0.00 54.97 54.82 2khd s GLU 33 Cb -0.09 -2.93 0.00 0.00 -4.31 0.00 0.00 34.13 26.80 2khd s GLU 33 CO 0.14 0.66 -0.17 0.08 0.01 0.00 0.00 175.26 175.98 2khd s VAL 34 N -1.23 1.41 -0.05 2.63 1.01 0.91 -4.93 120.40 120.15 2khd s VAL 34 Ca 0.24 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2khd s VAL 34 Cb -0.12 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.04 2khd s VAL 34 CO 0.15 0.41 -0.11 -0.55 0.00 0.00 0.00 175.10 175.00 2khd s SER 35 N 0.20 1.59 -0.07 3.32 0.15 -1.26 -0.93 113.70 116.69 2khd s SER 35 Ca -0.07 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.35 2khd s SER 35 Cb -0.13 -0.66 0.01 0.00 -1.71 0.00 0.00 66.02 63.53 2khd s SER 35 CO 0.03 0.04 -0.16 -0.22 1.20 0.00 0.00 173.24 174.13 2khd s LEU 36 N 0.55 1.82 0.04 3.45 2.96 -0.69 -5.03 118.68 121.77 2khd s LEU 36 Ca -0.11 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.49 2khd s LEU 36 Cb -0.14 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.52 2khd s LEU 36 CO 0.03 0.09 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.62 2khd s PHE 37 N 0.43 2.58 0.04 5.38 0.08 -1.26 -2.62 117.98 122.60 2khd s PHE 37 Ca -0.13 -0.24 -0.27 0.00 0.12 0.00 0.00 56.93 56.41 2khd s PHE 37 Cb -0.15 -1.48 0.10 0.00 -0.57 0.00 0.00 43.02 40.92 2khd s PHE 37 CO 0.05 0.26 1.22 0.20 -0.10 0.00 0.00 175.22 176.84 2khd s GLY 38 N -1.43 -0.14 0.00 4.36 0.00 -1.00 -5.03 107.32 104.09 2khd s GLY 38 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.96 2khd s GLY 38 CO 0.05 3.46 0.00 -1.14 0.00 0.00 0.00 173.10 175.47 2khd n SER 39 N -0.95 0.00 -4.82 1.64 3.41 -1.26 -4.45 113.62 107.19 2khd n SER 39 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.27 2khd n SER 39 Cb 0.60 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 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 -1.93 6.27 0.29 4.04 2.15 -1.26 -4.32 116.67 121.91 2khd s ASP 40 Ca 0.00 1.74 0.01 0.00 0.43 0.00 0.00 52.55 54.73 2khd s ASP 40 Cb 0.00 -2.53 0.45 0.00 -0.30 0.00 0.00 42.92 40.54 2khd s ASP 40 CO 0.00 -0.83 1.80 0.50 -0.17 0.00 0.00 175.17 176.47 2khd h LYS 41 N 0.92 0.64 -0.98 4.34 3.64 -1.65 -2.68 116.57 120.80 2khd h LYS 41 Ca -0.47 -0.17 0.09 0.00 -1.27 0.00 0.00 60.65 58.83 2khd h LYS 41 Cb 1.20 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.87 2khd h LYS 41 CO 0.59 0.68 0.63 0.00 -2.27 0.00 0.00 179.45 179.09 2khd h ALA 42 N 1.36 1.50 -0.70 5.00 0.00 -1.93 -0.14 119.26 124.36 2khd h ALA 42 Ca 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2khd h ALA 42 Cb 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2khd h ALA 42 CO 0.02 0.30 0.28 1.25 0.00 0.00 0.00 179.25 181.10 2khd h HIS 43 N 1.04 1.05 -0.86 0.00 -0.00 -1.87 -2.29 115.15 112.23 2khd h HIS 43 Ca 0.45 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.74 2khd h HIS 43 Cb 0.35 -0.32 -0.04 0.00 -0.00 0.00 0.00 27.41 27.40 2khd h HIS 43 CO -0.00 0.80 0.49 -0.07 -0.00 0.00 0.00 177.93 179.15 2khd h LEU 44 N 1.02 1.06 -1.16 0.26 3.38 -1.02 -1.86 115.31 116.98 2khd h LEU 44 Ca 0.24 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2khd h LEU 44 Cb 0.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2khd h LEU 44 CO -0.02 0.84 0.19 -0.33 0.09 0.00 0.00 178.44 179.20 2khd h GLU 45 N 1.19 0.78 -0.80 1.13 5.08 -0.89 -0.15 114.58 120.92 2khd h GLU 45 Ca 0.31 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2khd h GLU 45 Cb -0.00 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 2khd h GLU 45 CO -0.05 0.66 0.48 0.78 -1.00 0.00 0.00 179.01 179.88 2khd h GLY 46 N 0.91 1.16 2.00 -3.84 0.00 -0.96 -1.83 103.07 100.51 2khd h GLY 46 Ca 0.18 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 2khd h GLY 46 CO -0.01 0.47 -0.45 0.50 0.00 0.00 0.00 176.54 177.05 2khd h LYS 47 N 1.10 0.00 -0.83 4.80 1.57 -1.15 -3.20 116.57 118.86 2khd h LYS 47 Ca 0.29 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 2khd h LYS 47 Cb -0.04 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 2khd h LYS 47 CO -0.05 0.45 0.44 1.25 -0.57 0.00 0.00 179.45 180.97 2khd h LEU 48 N 0.00 1.04 -0.86 2.94 5.85 -0.19 -2.39 115.31 121.71 2khd h LEU 48 Ca -0.00 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.74 2khd h LEU 48 Cb 1.21 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 2khd h LEU 48 CO 0.06 0.85 0.47 0.00 -0.34 0.00 0.00 178.44 179.48 2khd h ALA 49 N 1.32 1.26 -0.29 1.25 0.00 -1.47 -1.52 119.26 119.82 2khd h ALA 49 Ca 0.29 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 2khd h ALA 49 Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2khd h ALA 49 CO -0.05 0.02 -0.31 0.93 0.00 0.00 0.00 179.25 179.84 2khd h GLU 50 N 0.73 0.72 -0.51 0.00 3.07 -1.60 -2.29 114.58 114.70 2khd h GLU 50 Ca 0.44 -0.39 0.10 0.00 -0.50 0.00 0.00 59.36 59.01 2khd h GLU 50 Cb 0.52 0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.36 2khd h GLU 50 CO -0.31 1.01 -0.05 1.88 -1.40 0.00 0.00 179.01 180.14 2khd h TYR 51 N 0.47 -0.13 -0.42 4.33 -1.99 -0.91 0.67 116.97 118.99 2khd h TYR 51 Ca 0.04 0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.76 2khd h TYR 51 Cb 0.89 0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.73 2khd h TYR 51 CO 0.07 -0.16 0.05 0.82 -0.00 0.00 0.00 178.16 178.94 2khd h ILE 52 N 0.07 1.25 -0.13 -2.88 2.04 -1.40 -1.51 117.51 114.94 2khd h ILE 52 Ca 0.25 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 65.20 2khd h ILE 52 Cb 0.39 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2khd h ILE 52 CO -0.46 0.32 0.01 -1.28 0.00 0.00 0.00 178.15 176.74 2khd h SER 53 N 0.57 -0.03 -0.64 1.72 0.87 -0.54 0.26 113.55 115.75 2khd h SER 53 Ca 0.13 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 2khd h SER 53 Cb 0.41 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 2khd h SER 53 CO 0.01 0.01 0.17 -0.07 -0.53 0.00 0.00 176.83 176.42 2khd h LEU 54 N 0.06 0.96 -1.16 2.23 -0.00 -0.90 -2.43 115.31 114.07 2khd h LEU 54 Ca 0.06 -0.22 -0.04 0.00 -0.00 0.00 0.00 57.88 57.68 2khd h LEU 54 Cb 0.07 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.45 2khd h LEU 54 CO -0.10 0.93 0.18 0.00 -0.00 0.00 0.00 178.44 179.46 2khd h ALA 55 N 1.06 1.33 -0.38 1.53 0.00 -0.74 -0.87 119.26 121.19 2khd h ALA 55 Ca 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2khd h ALA 55 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2khd h ALA 55 CO -0.00 0.49 0.19 0.87 0.00 0.00 0.00 179.25 180.80 2khd h LYS 56 N 0.76 0.55 -0.37 0.00 1.79 -0.03 0.24 116.57 119.52 2khd h LYS 56 Ca 0.18 -0.08 -0.12 0.00 -2.18 0.00 0.00 60.65 58.45 2khd h LYS 56 Cb 0.19 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2khd h LYS 56 CO -0.01 0.48 -0.24 0.37 -1.08 0.00 0.00 179.45 178.97 2khd h GLN 57 N 0.48 0.81 -0.32 3.15 4.15 -1.13 -3.15 115.11 119.10 2khd h GLN 57 Ca 0.13 -0.38 -0.03 0.00 0.77 0.00 0.00 58.65 59.15 2khd h GLN 57 Cb 0.11 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2khd h GLN 57 CO -0.02 1.01 0.10 0.28 -1.93 0.00 0.00 178.83 178.27 2khd h VAL 58 N 0.60 1.21 -3.96 2.39 2.07 -0.96 -3.43 116.25 114.17 2khd h VAL 58 Ca 0.07 -0.67 -0.54 0.00 0.82 0.00 0.00 66.70 66.38 2khd h VAL 58 Cb 0.80 1.04 -0.31 0.00 -1.52 0.00 0.00 31.29 31.30 2khd h VAL 58 CO 0.07 0.23 -0.83 -0.47 0.02 0.00 0.00 177.57 176.58 2khd s TYR 59 N -5.39 1.59 0.00 1.57 5.04 0.83 -5.09 117.35 115.90 2khd s TYR 59 Ca -0.13 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.07 2khd s TYR 59 Cb 0.09 -1.07 0.00 0.00 0.35 0.00 0.00 41.96 41.33 2khd s TYR 59 CO 0.74 -0.13 0.00 0.00 -1.34 0.00 0.00 175.55 174.82 2khd n ALA 60 N 3.07 0.00 -2.78 3.97 0.00 -1.25 -4.04 120.51 119.48 2khd n ALA 60 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 2khd n ALA 60 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 2khd n ALA 60 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2khd s ASN 61 N -2.59 6.70 0.14 0.00 0.01 -1.26 -4.74 114.94 113.20 2khd s ASN 61 Ca 0.00 -2.10 -0.28 0.00 -0.71 0.00 0.00 52.86 49.77 2khd s ASN 61 Cb 0.00 -2.47 -0.07 0.00 0.41 0.00 0.00 41.25 39.12 2khd s ASN 61 CO 0.00 -1.15 0.88 0.54 -1.51 0.00 0.00 177.10 175.86 2khd s VAL 62 N 3.36 4.43 -0.10 1.60 0.11 -1.26 -5.05 120.40 123.49 2khd s VAL 62 Ca 0.41 1.92 -0.02 0.00 -2.93 0.00 0.00 61.98 61.36 2khd s VAL 62 Cb -0.02 -4.25 -0.03 0.00 -1.53 0.00 0.00 36.38 30.55 2khd s VAL 62 CO -0.06 0.40 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.48 2khd s GLU 63 N -0.48 3.12 0.17 1.54 2.02 -1.26 -5.01 118.70 118.80 2khd s GLU 63 Ca 0.42 -0.48 -0.14 0.00 0.02 0.00 0.00 54.97 54.79 2khd s GLU 63 Cb -0.23 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.24 2khd s GLU 63 CO 0.28 0.56 0.42 1.52 0.02 0.00 0.00 175.26 178.06 2khd s TYR 64 N -0.50 0.04 0.04 1.61 1.13 -1.26 -2.17 117.35 116.24 2khd s TYR 64 Ca 0.08 -0.39 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 2khd s TYR 64 Cb -0.12 0.22 -0.03 0.00 -1.10 0.00 0.00 41.96 40.93 2khd s TYR 64 CO 0.02 -0.82 -0.04 -1.21 -2.51 0.00 0.00 175.55 170.99 2khd s GLU 65 N -3.89 0.50 -0.08 -3.49 0.41 -1.04 -4.95 118.70 106.15 2khd s GLU 65 Ca 0.11 -0.91 0.03 0.00 -0.41 0.00 0.00 54.97 53.78 2khd s GLU 65 Cb 0.01 0.03 0.01 0.00 -1.78 0.00 0.00 34.13 32.40 2khd s GLU 65 CO -0.03 -0.05 -0.16 0.54 -0.49 0.00 0.00 175.26 175.07 2khd s VAL 66 N -2.48 1.45 -0.26 2.63 0.11 -1.26 -2.12 120.40 118.47 2khd s VAL 66 Ca -0.04 -0.65 -0.22 0.00 -2.93 0.00 0.00 61.98 58.13 2khd s VAL 66 Cb -0.03 -1.30 -0.01 0.00 -1.53 0.00 0.00 36.38 33.51 2khd s VAL 66 CO -0.04 0.43 0.71 0.00 -3.33 0.00 0.00 175.10 172.86 2khd s ALA 67 N 0.64 3.60 0.21 1.54 0.00 -1.07 -5.01 121.76 121.68 2khd s ALA 67 Ca -0.14 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.14 2khd s ALA 67 Cb -0.16 -3.15 -0.15 0.00 0.00 0.00 0.00 23.12 19.66 2khd s ALA 67 CO 0.04 -0.92 1.03 -2.30 0.00 0.00 0.00 175.76 173.61 2khd n PRO 68 N 5.88 1.06 -4.25 0.00 -0.02 -1.26 -4.56 135.00 131.85 2khd n PRO 68 Ca 0.02 0.37 -0.14 0.00 -2.02 0.00 0.00 63.50 61.73 2khd n PRO 68 Cb 0.48 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 32.09 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 -0.58 0.93 0.51 -1.45 1.01 -1.26 -5.06 120.40 114.50 2khd s VAL 69 Ca 0.67 -2.01 -0.23 0.00 0.00 0.00 0.00 61.98 60.42 2khd s VAL 69 Cb -0.82 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 2khd s VAL 69 CO 0.55 -0.62 1.34 0.00 0.00 0.00 0.00 175.10 176.37 2khd s ALA 70 N -3.48 2.92 0.32 5.51 0.00 -1.26 -4.90 121.76 120.87 2khd s ALA 70 Ca 0.20 1.29 0.12 0.00 0.00 0.00 0.00 51.96 53.57 2khd s ALA 70 Cb 0.04 -3.54 0.53 0.00 0.00 0.00 0.00 23.12 20.16 2khd s ALA 70 CO 0.02 -1.22 1.72 -0.44 0.00 0.00 0.00 175.76 175.84 2khd h ASP 71 N 1.73 0.00 -0.33 0.00 3.32 -2.00 -2.41 116.42 116.73 2khd h ASP 71 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2khd h ASP 71 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2khd h ASP 71 CO 0.58 0.50 0.00 0.59 -1.72 0.00 0.00 179.24 179.19 2khd n ASN 72 N -3.94 2.56 -4.89 6.45 3.02 -1.26 -2.59 115.26 114.62 2khd n ASN 72 Ca -0.01 -1.89 -0.30 0.00 -0.03 0.00 0.00 54.58 52.35 2khd n ASN 72 Cb 0.51 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 2khd n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2khd s ALA 73 N -1.57 3.43 -1.30 5.41 0.00 -0.91 -4.96 121.76 121.85 2khd s ALA 73 Ca 0.35 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2khd s ALA 73 Cb 0.19 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.73 2khd s ALA 73 CO 0.27 0.04 0.58 -2.37 0.00 0.00 0.00 175.76 174.28 2khd n THR 74 N -1.26 0.00 -3.71 0.00 5.66 -1.26 -4.11 114.28 109.61 2khd n THR 74 Ca 0.01 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.92 2khd n THR 74 Cb 0.54 -0.33 -0.02 0.00 -1.55 0.00 0.00 70.33 68.97 2khd n THR 74 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2khd s GLU 75 N -1.30 1.54 -0.02 1.09 -1.05 -1.26 -2.38 118.70 115.31 2khd s GLU 75 Ca 0.00 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 54.01 2khd s GLU 75 Cb 0.00 0.58 0.02 0.00 -0.44 0.00 0.00 34.13 34.29 2khd s GLU 75 CO 0.00 -0.69 0.01 -1.17 0.95 0.00 0.00 175.26 174.37 2khd s LEU 76 N -2.86 1.27 -0.03 1.83 0.20 -1.08 -4.71 118.68 113.30 2khd s LEU 76 Ca 0.08 0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.92 2khd s LEU 76 Cb -0.03 -0.12 0.01 0.00 -0.43 0.00 0.00 46.19 45.61 2khd s LEU 76 CO -0.01 -0.09 -0.07 -2.28 -0.29 0.00 0.00 176.35 173.61 2khd s HIS 77 N 0.86 0.77 0.17 5.38 2.46 -1.26 -1.70 115.29 121.98 2khd s HIS 77 Ca -0.08 -0.19 -0.02 0.00 0.47 0.00 0.00 55.06 55.24 2khd s HIS 77 Cb -0.11 -0.58 -0.04 0.00 -0.13 0.00 0.00 32.58 31.72 2khd s HIS 77 CO -0.02 -0.10 0.13 0.00 -2.47 0.00 0.00 174.74 172.28 2khd s ALA 78 N 0.32 0.88 0.10 1.58 0.00 -0.11 -2.58 121.76 121.94 2khd s ALA 78 Ca -0.04 -1.50 0.09 0.00 0.00 0.00 0.00 51.96 50.51 2khd s ALA 78 Cb -0.09 1.11 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 2khd s ALA 78 CO 0.00 -0.56 -0.23 1.03 0.00 0.00 0.00 175.76 176.00 2khd s ARG 79 N -4.09 1.29 0.08 0.00 0.52 -0.90 -0.07 118.95 115.78 2khd s ARG 79 Ca 0.30 -1.17 0.05 0.00 -0.52 0.00 0.00 55.73 54.39 2khd s ARG 79 Cb 0.07 -1.58 -0.03 0.00 0.52 0.00 0.00 34.95 33.92 2khd s ARG 79 CO 0.07 0.38 -0.15 -0.06 0.02 0.00 0.00 175.30 175.56 2khd s PHE 80 N -1.05 1.28 -0.25 -0.53 0.40 -0.33 -2.50 117.98 115.00 2khd s PHE 80 Ca 0.09 -0.46 -0.07 0.00 -0.60 0.00 0.00 56.93 55.89 2khd s PHE 80 Cb -0.10 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 2khd s PHE 80 CO 0.04 0.08 0.06 0.21 0.70 0.00 0.00 175.22 176.31 2khd s LYS 81 N -1.81 3.58 0.11 0.44 2.20 -0.92 -1.09 119.74 122.25 2khd s LYS 81 Ca -0.01 -0.53 0.06 0.00 -0.36 0.00 0.00 55.97 55.14 2khd s LYS 81 Cb -0.10 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 2khd s LYS 81 CO 0.02 -0.21 -0.15 -0.06 -0.36 0.00 0.00 175.35 174.59 2khd s PHE 82 N 1.59 1.46 0.16 4.03 0.08 -0.88 -4.58 117.98 119.85 2khd s PHE 82 Ca 0.06 -0.51 -0.12 0.00 0.12 0.00 0.00 56.93 56.48 2khd s PHE 82 Cb -0.15 -0.77 0.05 0.00 -0.57 0.00 0.00 43.02 41.58 2khd s PHE 82 CO 0.03 0.15 1.67 0.93 -0.10 0.00 0.00 175.22 177.90 2khd h GLU 83 N 3.71 0.92 -4.61 0.44 4.39 -1.80 -3.39 114.58 114.23 2khd h GLU 83 Ca -0.41 -0.23 -0.22 0.00 0.34 0.00 0.00 59.36 58.84 2khd h GLU 83 Cb 1.19 -0.11 -0.15 0.00 -0.10 0.00 0.00 28.75 29.58 2khd h GLU 83 CO 0.47 0.87 -0.69 0.14 -1.16 0.00 0.00 179.01 178.64 2khd s VAL 84 N -5.26 0.61 0.19 3.13 -7.23 -1.26 -4.68 120.40 105.90 2khd s VAL 84 Ca -0.13 -1.93 -0.10 0.00 -1.81 0.00 0.00 61.98 58.02 2khd s VAL 84 Cb 0.12 -1.73 0.11 0.00 0.56 0.00 0.00 36.38 35.44 2khd s VAL 84 CO 0.82 -0.82 1.73 -1.28 -0.31 0.00 0.00 175.10 175.24 2khd h SER 85 N 2.95 0.99 -1.35 4.85 0.87 -1.95 -2.87 113.55 117.04 2khd h SER 85 Ca -0.35 -0.20 0.46 0.00 -1.23 0.00 0.00 61.79 60.47 2khd h SER 85 Cb 1.17 -0.26 -0.14 0.00 -0.44 0.00 0.00 62.40 62.73 2khd h SER 85 CO 0.64 0.92 0.87 0.00 -0.53 0.00 0.00 176.83 178.73 2khd h ALA 86 N 1.11 2.78 -0.50 6.23 0.00 -2.00 2.23 119.26 129.11 2khd h ALA 86 Ca 0.23 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 2khd h ALA 86 Cb 0.27 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2khd h ALA 86 CO -0.01 -1.46 -0.02 0.93 0.00 0.00 0.00 179.25 178.68 2khd h GLU 87 N 0.03 0.85 -0.28 0.00 4.39 -1.94 -1.62 114.58 116.01 2khd h GLU 87 Ca 0.86 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 60.29 2khd h GLU 87 Cb 2.74 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 31.29 2khd h GLU 87 CO -0.46 0.87 0.10 -0.22 -1.16 0.00 0.00 179.01 178.13 2khd h LYS 88 N 0.79 0.43 -0.28 2.33 1.63 0.36 0.65 116.57 122.48 2khd h LYS 88 Ca 0.15 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2khd h LYS 88 Cb 0.51 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2khd h LYS 88 CO 0.03 0.47 0.15 -0.07 -3.45 0.00 0.00 179.45 176.58 2khd h LEU 89 N 0.30 0.35 -0.28 5.20 4.07 -1.21 0.29 115.31 124.02 2khd h LEU 89 Ca 0.09 -0.08 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 2khd h LEU 89 Cb 0.21 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2khd h LEU 89 CO -0.01 0.33 -0.12 0.40 -1.08 0.00 0.00 178.44 177.96 2khd h ILE 90 N 0.33 1.29 -0.32 1.22 2.04 -1.15 0.08 117.51 121.00 2khd h ILE 90 Ca 0.10 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 2khd h ILE 90 Cb 0.06 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2khd h ILE 90 CO -0.02 0.38 0.18 0.15 0.00 0.00 0.00 178.15 178.85 2khd h PHE 91 N 0.33 0.44 -0.62 1.37 3.57 0.52 0.14 116.94 122.70 2khd h PHE 91 Ca 0.07 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 2khd h PHE 91 Cb 0.63 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 2khd h PHE 91 CO 0.06 0.35 0.01 1.49 -2.23 0.00 0.00 178.31 177.98 2khd h GLU 92 N 0.41 1.09 -0.11 1.11 4.81 -0.39 0.61 114.58 122.11 2khd h GLU 92 Ca 0.11 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 2khd h GLU 92 Cb 0.05 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2khd h GLU 92 CO -0.02 1.05 0.05 1.25 -0.73 0.00 0.00 179.01 180.61 2khd h LEU 93 N 0.99 0.14 -0.17 1.64 5.85 -0.56 0.54 115.31 123.75 2khd h LEU 93 Ca 0.18 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2khd h LEU 93 Cb 0.55 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 2khd h LEU 93 CO 0.03 0.25 -0.20 0.50 -0.34 0.00 0.00 178.44 178.68 2khd h LYS 94 N 0.03 0.43 -0.50 1.25 3.64 -0.61 -2.48 116.57 118.33 2khd h LYS 94 Ca 0.04 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2khd h LYS 94 Cb 0.15 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2khd h LYS 94 CO -0.00 0.82 0.25 1.15 -2.27 0.00 0.00 179.45 179.40 2khd h THR 95 N 0.07 1.19 -0.79 1.00 2.02 0.30 -2.37 112.91 114.33 2khd h THR 95 Ca 0.02 -0.51 0.04 0.00 0.77 0.00 0.00 66.41 66.74 2khd h THR 95 Cb 0.75 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 2khd h THR 95 CO 0.05 0.20 0.49 -0.09 0.37 0.00 0.00 175.52 176.54 2khd h ARG 96 N 0.67 0.90 -0.49 6.66 2.43 0.10 0.33 114.38 124.98 2khd h ARG 96 Ca 0.17 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 2khd h ARG 96 Cb 0.09 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.39 2khd h ARG 96 CO -0.02 0.60 0.21 0.00 -1.51 0.00 0.00 179.97 179.25 2khd h ALA 97 N 1.35 0.61 -0.74 2.80 0.00 -0.96 -1.03 119.26 121.29 2khd h ALA 97 Ca 0.33 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 2khd h ALA 97 Cb 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2khd h ALA 97 CO -0.14 -0.16 0.24 -0.07 0.00 0.00 0.00 179.25 179.12 2khd h LEU 98 N 0.42 1.08 -0.22 0.00 3.38 -0.86 1.67 115.31 120.77 2khd h LEU 98 Ca 0.22 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2khd h LEU 98 Cb 0.19 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2khd h LEU 98 CO -0.19 1.00 -0.03 0.00 0.09 0.00 0.00 178.44 179.31 2khd h ALA 99 N 1.12 0.17 0.00 1.53 0.00 0.26 -3.34 119.26 119.00 2khd h ALA 99 Ca 0.24 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2khd h ALA 99 Cb 0.30 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2khd h ALA 99 CO -0.01 -0.45 -0.63 0.54 0.00 0.00 0.00 179.25 178.70 2khd n ARG 100 N -5.18 0.47 -3.64 0.00 5.12 -0.60 -5.07 116.66 107.77 2khd n ARG 100 Ca -0.02 0.46 -0.04 0.00 -1.93 0.00 0.00 57.85 56.32 2khd n ARG 100 Cb 0.13 -1.64 -0.06 0.00 -1.16 0.00 0.00 32.46 29.73 2khd n ARG 100 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2khd s LEU 101 N -8.15 -0.11 0.00 0.55 2.96 0.57 -5.08 118.68 109.42 2khd s LEU 101 Ca -0.18 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2khd s LEU 101 Cb 0.03 1.23 0.00 0.00 0.50 0.00 0.00 46.19 47.94 2khd s LEU 101 CO 0.27 -0.06 0.00 1.21 -1.32 0.00 0.00 176.35 176.45 2khd n GLU 102 N 1.17 0.00 0.00 1.98 4.07 -1.13 -4.34 120.64 122.40 2khd n GLU 102 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 2khd n GLU 102 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 2khd n GLU 102 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2khd n HIS 103 N 0.00 -0.40 -3.61 4.31 8.25 -1.26 -4.55 115.22 117.95 2khd n HIS 103 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 2khd n HIS 103 Cb 0.00 0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.06 2khd n HIS 103 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2khd s HIS 104 N 0.00 3.64 -0.20 4.41 3.76 -1.26 -5.06 115.29 120.59 2khd s HIS 104 Ca 0.00 0.80 -0.24 0.00 -0.15 0.00 0.00 55.06 55.47 2khd s HIS 104 Cb 0.00 -2.21 -0.01 0.00 1.11 0.00 0.00 32.58 31.47 2khd s HIS 104 CO 0.00 0.59 0.78 -3.38 -0.85 0.00 0.00 174.74 171.88 2khd s HIS 105 N -0.77 3.38 -0.15 1.40 -3.43 -1.26 -5.03 115.29 109.43 2khd s HIS 105 Ca 0.20 1.13 0.00 0.00 -0.80 0.00 0.00 55.06 55.60 2khd s HIS 105 Cb -0.15 -2.97 0.03 0.00 -1.43 0.00 0.00 32.58 28.06 2khd s HIS 105 CO 0.09 -0.27 -0.12 -1.58 -2.00 0.00 0.00 174.74 170.86 2khd s HIS 106 N 2.27 2.05 -0.11 0.38 2.46 -1.26 -5.12 115.29 115.97 2khd s HIS 106 Ca 0.35 -1.16 -0.14 0.00 0.47 0.00 0.00 55.06 54.58 2khd s HIS 106 Cb -0.16 -1.52 0.03 0.00 -0.13 0.00 0.00 32.58 30.80 2khd s HIS 106 CO 0.11 -0.65 0.37 -1.58 -2.47 0.00 0.00 174.74 170.52 2khd s HIS 107 N 1.52 -0.36 0.00 3.88 5.04 -1.26 -5.33 115.29 118.79 2khd s HIS 107 Ca 0.04 0.83 0.00 0.00 -1.54 0.00 0.00 55.06 54.39 2khd s HIS 107 Cb -0.13 0.14 0.00 0.00 0.04 0.00 0.00 32.58 32.63 2khd s HIS 107 CO -0.10 -0.26 0.00 0.72 -2.34 0.00 0.00 174.74 172.76