#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khd s SER 2 N 0.00 -0.19 -0.48 3.17 0.01 -1.26 -5.12 113.70 109.84 2khd s SER 2 Ca 0.00 0.05 -0.23 0.00 1.31 0.00 0.00 55.95 57.09 2khd s SER 2 Cb 0.00 0.32 0.03 0.00 0.21 0.00 0.00 66.02 66.58 2khd s SER 2 CO 0.00 -0.47 0.78 0.21 0.41 0.00 0.00 173.24 174.17 2khd s ASN 3 N -1.43 6.36 0.00 2.44 3.84 -1.26 -4.58 114.94 120.32 2khd s ASN 3 Ca -0.12 -0.29 0.00 0.00 0.21 0.00 0.00 52.86 52.66 2khd s ASN 3 Cb -0.05 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 2khd s ASN 3 CO 0.03 -0.96 0.00 1.67 -2.79 0.00 0.00 177.10 175.05 2khd n GLN 4 N 6.76 0.00 0.00 0.43 -0.06 -1.26 -4.88 117.38 118.37 2khd n GLN 4 Ca 0.01 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.13 2khd n GLN 4 Cb 0.48 -0.04 0.22 0.00 -4.06 0.00 0.00 30.24 26.83 2khd n GLN 4 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2khd n THR 5 N -1.33 0.00 -0.14 1.69 -2.24 -1.26 -4.04 114.28 106.96 2khd n THR 5 Ca 0.00 -0.13 -0.05 0.00 -2.27 0.00 0.00 64.05 61.59 2khd n THR 5 Cb 0.00 0.66 0.13 0.00 -2.10 0.00 0.00 70.33 69.02 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 -5.05 3.73 0.43 0.00 -7.23 -1.26 -4.99 120.40 106.04 2khd s VAL 7 Ca -0.10 1.68 -0.26 0.00 -1.81 0.00 0.00 61.98 61.49 2khd s VAL 7 Cb 0.15 -4.07 -0.09 0.00 0.56 0.00 0.00 36.38 32.93 2khd s VAL 7 CO 0.82 0.37 1.43 -1.83 -0.31 0.00 0.00 175.10 175.58 2khd s GLU 8 N -1.12 3.80 0.00 4.82 -1.05 -1.26 -5.00 118.70 118.88 2khd s GLU 8 Ca 0.45 2.43 0.00 0.00 -0.15 0.00 0.00 54.97 57.70 2khd s GLU 8 Cb -0.30 -2.73 0.00 0.00 -0.44 0.00 0.00 34.13 30.66 2khd s GLU 8 CO 0.37 -0.73 0.00 0.27 0.95 0.00 0.00 175.26 176.12 2khd n ASN 9 N -0.03 0.00 -4.75 0.83 6.94 -1.26 -4.95 115.26 112.04 2khd n ASN 9 Ca 0.04 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.23 2khd n ASN 9 Cb 0.41 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.87 2khd n ASN 9 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2khd s GLU 10 N 0.31 3.01 -0.17 -3.83 0.41 -1.26 -4.98 118.70 112.19 2khd s GLU 10 Ca 0.00 2.02 -0.15 0.00 -0.41 0.00 0.00 54.97 56.42 2khd s GLU 10 Cb 0.00 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 30.24 2khd s GLU 10 CO 0.00 -1.22 0.36 0.08 -0.49 0.00 0.00 175.26 173.99 2khd s VAL 11 N -1.44 5.25 -0.20 2.63 1.01 -1.26 -5.05 120.40 121.34 2khd s VAL 11 Ca 0.75 0.67 -0.28 0.00 0.00 0.00 0.00 61.98 63.13 2khd s VAL 11 Cb -0.35 -3.70 0.11 0.00 0.00 0.00 0.00 36.38 32.44 2khd s VAL 11 CO 0.40 0.32 0.95 0.00 0.00 0.00 0.00 175.10 176.77 2khd s GLU 13 N -0.51 4.14 0.36 0.00 8.01 -1.26 -5.04 118.70 124.39 2khd s GLU 13 Ca -0.01 0.35 -0.27 0.00 0.01 0.00 0.00 54.97 55.05 2khd s GLU 13 Cb -0.02 -3.60 -0.09 0.00 -4.31 0.00 0.00 34.13 26.10 2khd s GLU 13 CO -0.00 -0.22 1.25 0.00 0.01 0.00 0.00 175.26 176.30 2khd s ALA 14 N 1.88 3.35 0.29 5.21 0.00 -1.26 -4.88 121.76 126.36 2khd s ALA 14 Ca 0.22 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2khd s ALA 14 Cb -0.15 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2khd s ALA 14 CO 0.09 -0.61 0.00 0.00 0.00 0.00 0.00 175.76 175.25 2khd s GLY 16 N -3.75 2.93 0.26 0.00 0.00 -1.26 -4.93 107.32 100.57 2khd s GLY 16 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 44.72 45.74 2khd s GLY 16 CO 0.00 1.58 1.69 0.00 0.00 0.00 0.00 173.10 176.36 2khd s ALA 18 N -4.52 3.29 -2.15 0.00 0.00 -1.26 -4.87 121.76 112.25 2khd s ALA 18 Ca -0.08 1.47 0.24 0.00 0.00 0.00 0.00 51.96 53.59 2khd s ALA 18 Cb 0.13 -3.59 1.18 0.00 0.00 0.00 0.00 23.12 20.85 2khd s ALA 18 CO 0.81 -1.16 1.79 0.41 0.00 0.00 0.00 175.76 177.61 2khd n GLY 19 N 0.57 -0.51 3.69 0.00 0.00 -1.26 -4.89 105.19 102.78 2khd n GLY 19 Ca 0.04 -0.26 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 2khd n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2khd n GLU 20 N -0.40 2.27 -4.07 1.61 -0.58 -1.26 -4.96 120.64 113.26 2khd n GLU 20 Ca 0.18 0.81 -0.34 0.00 -0.42 0.00 0.00 57.16 57.38 2khd n GLU 20 Cb 0.19 -2.55 -0.10 0.00 -0.57 0.00 0.00 31.44 28.41 2khd n GLU 20 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2khd s ILE 21 N 0.39 4.57 -0.09 -3.67 1.01 -1.26 -5.06 121.20 117.09 2khd s ILE 21 Ca 0.72 -0.11 -0.33 0.00 0.00 0.00 0.00 60.65 60.93 2khd s ILE 21 Cb -0.62 -3.06 0.14 0.00 0.01 0.00 0.00 42.46 38.94 2khd s ILE 21 CO 0.44 0.46 1.38 -0.83 0.00 0.00 0.00 174.94 176.39 2khd s GLY 22 N 0.47 -0.44 -0.11 6.18 0.00 -1.26 -5.15 107.32 107.01 2khd s GLY 22 Ca 0.02 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.73 2khd s GLY 22 CO 0.01 0.21 -0.12 -0.11 0.00 0.00 0.00 173.10 173.10 2khd s PHE 23 N -2.16 2.82 0.00 1.90 -0.12 -1.26 -4.97 117.98 114.20 2khd s PHE 23 Ca 0.14 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.63 2khd s PHE 23 Cb 0.06 -1.79 0.00 0.00 -0.63 0.00 0.00 43.02 40.66 2khd s PHE 23 CO -0.05 -0.02 0.00 1.51 -0.05 0.00 0.00 175.22 176.60 2khd n ILE 24 N 3.06 0.00 -1.35 -4.49 3.06 -1.26 -5.15 119.36 113.23 2khd n ILE 24 Ca -0.18 0.00 0.12 0.00 -2.50 0.00 0.00 62.75 60.19 2khd n ILE 24 Cb 0.53 -0.33 -0.07 0.00 0.54 0.00 0.00 39.64 40.31 2khd n ILE 24 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2khd n ILE 25 N -1.72 -1.13 -3.23 9.51 5.41 -1.26 -4.80 119.36 122.14 2khd n ILE 25 Ca 0.00 0.90 -0.39 0.00 1.00 0.00 0.00 62.75 64.26 2khd n ILE 25 Cb 0.24 -1.38 -0.06 0.00 -0.71 0.00 0.00 39.64 37.73 2khd n ILE 25 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2khd s ARG 26 N -4.62 4.28 0.32 0.38 0.52 -1.26 -5.05 118.95 113.51 2khd s ARG 26 Ca 0.00 0.74 -0.25 0.00 -0.52 0.00 0.00 55.73 55.70 2khd s ARG 26 Cb 0.00 -3.30 -0.10 0.00 0.52 0.00 0.00 34.95 32.07 2khd s ARG 26 CO 0.00 0.47 0.92 -1.21 0.02 0.00 0.00 175.30 175.50 2khd s GLU 27 N -0.54 4.53 0.00 3.54 2.02 -1.26 -4.83 118.70 122.16 2khd s GLU 27 Ca 0.30 1.27 0.00 0.00 0.02 0.00 0.00 54.97 56.56 2khd s GLU 27 Cb -0.19 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.27 2khd s GLU 27 CO 0.18 0.28 0.00 0.41 0.02 0.00 0.00 175.26 176.14 2khd n GLY 28 N 0.52 -1.60 0.00 -1.39 0.00 -1.26 -4.95 105.19 96.50 2khd n GLY 28 Ca 0.02 -1.07 0.09 0.00 0.00 0.00 0.00 46.02 45.05 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 1.04 0.00 -0.30 1.61 8.00 -1.26 -1.84 116.55 123.81 2khd n ASP 29 Ca 0.00 0.37 0.14 0.00 0.71 0.00 0.00 54.79 56.00 2khd n ASP 29 Cb 0.00 -0.44 0.63 0.00 -0.02 0.00 0.00 41.12 41.29 2khd n ASP 29 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2khd n ASP 30 N -1.44 0.93 -4.12 -2.24 5.68 -1.26 -4.59 116.55 109.51 2khd n ASP 30 Ca 0.05 -1.38 -0.26 0.00 -0.50 0.00 0.00 54.79 52.71 2khd n ASP 30 Cb 0.19 -0.02 -0.16 0.00 -1.14 0.00 0.00 41.12 39.99 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 -1.97 1.43 0.03 2.12 1.01 -0.76 0.20 120.40 122.46 2khd s VAL 31 Ca 0.39 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2khd s VAL 31 Cb 0.20 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2khd s VAL 31 CO 0.32 0.41 -0.05 0.00 0.00 0.00 0.00 175.10 175.79 2khd s ALA 32 N 0.20 0.35 0.09 5.51 0.00 -0.71 -4.73 121.76 122.47 2khd s ALA 32 Ca -0.07 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 51.06 2khd s ALA 32 Cb -0.13 0.12 -0.06 0.00 0.00 0.00 0.00 23.12 23.05 2khd s ALA 32 CO 0.03 -0.13 0.40 -1.83 0.00 0.00 0.00 175.76 174.24 2khd s GLU 33 N -1.79 3.74 -0.12 0.00 -1.05 -1.26 -1.52 118.70 116.70 2khd s GLU 33 Ca -0.11 0.15 0.03 0.00 -0.15 0.00 0.00 54.97 54.89 2khd s GLU 33 Cb -0.08 -2.97 0.00 0.00 -0.44 0.00 0.00 34.13 30.65 2khd s GLU 33 CO -0.01 0.54 -0.22 0.08 0.95 0.00 0.00 175.26 176.60 2khd s VAL 34 N -1.45 2.17 -0.13 1.83 1.01 0.11 -4.94 120.40 119.00 2khd s VAL 34 Ca 0.35 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2khd s VAL 34 Cb -0.14 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 2khd s VAL 34 CO 0.19 0.55 -0.18 -0.55 0.00 0.00 0.00 175.10 175.11 2khd s SER 35 N 0.58 3.50 0.02 3.32 0.15 -1.26 -2.38 113.70 117.62 2khd s SER 35 Ca -0.12 -0.48 0.07 0.00 0.70 0.00 0.00 55.95 56.11 2khd s SER 35 Cb -0.17 -1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 62.61 2khd s SER 35 CO 0.04 0.13 -0.20 -0.22 1.20 0.00 0.00 173.24 174.19 2khd s LEU 36 N 0.54 2.11 0.02 3.45 2.96 -1.10 -4.96 118.68 121.71 2khd s LEU 36 Ca -0.11 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 2khd s LEU 36 Cb -0.16 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 2khd s LEU 36 CO 0.04 0.19 0.08 -0.36 -1.32 0.00 0.00 176.35 174.99 2khd s PHE 37 N -0.64 3.26 0.07 5.38 0.40 -1.26 -1.23 117.98 123.96 2khd s PHE 37 Ca 0.07 0.16 -0.26 0.00 -0.60 0.00 0.00 56.93 56.31 2khd s PHE 37 Cb -0.08 -1.70 0.09 0.00 0.51 0.00 0.00 43.02 41.84 2khd s PHE 37 CO 0.01 0.54 1.18 0.20 0.70 0.00 0.00 175.22 177.84 2khd s GLY 38 N -1.96 -0.01 0.00 4.36 0.00 -0.47 -4.98 107.32 104.26 2khd s GLY 38 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.84 2khd s GLY 38 CO 0.17 4.19 0.00 -1.26 0.00 0.00 0.00 173.10 176.20 2khd n SER 39 N -1.14 0.00 -4.56 1.64 2.88 -1.26 -4.45 113.62 106.72 2khd n SER 39 Ca 0.01 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 2khd n SER 39 Cb 0.59 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.17 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 -1.07 4.05 0.18 -3.46 -4.77 -1.26 -3.89 116.67 106.44 2khd s ASP 40 Ca 0.00 0.12 -0.11 0.00 -3.30 0.00 0.00 52.55 49.26 2khd s ASP 40 Cb 0.00 -0.46 0.09 0.00 -1.09 0.00 0.00 42.92 41.46 2khd s ASP 40 CO 0.00 -2.10 1.74 0.50 0.70 0.00 0.00 175.17 176.01 2khd h LYS 41 N -0.95 0.96 -0.79 2.11 3.64 -1.24 -2.58 116.57 117.72 2khd h LYS 41 Ca -0.42 -0.18 0.12 0.00 -1.27 0.00 0.00 60.65 58.90 2khd h LYS 41 Cb 1.27 -0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.85 2khd h LYS 41 CO 0.46 0.82 0.41 0.00 -2.27 0.00 0.00 179.45 178.86 2khd h ALA 42 N 1.10 1.14 -0.48 5.00 0.00 -1.94 0.16 119.26 124.25 2khd h ALA 42 Ca 0.21 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2khd h ALA 42 Cb 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2khd h ALA 42 CO -0.02 -0.05 0.19 1.25 0.00 0.00 0.00 179.25 180.63 2khd h HIS 43 N 0.63 0.74 -0.77 0.00 -0.00 -1.84 -2.33 115.15 111.58 2khd h HIS 43 Ca 0.41 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.67 2khd h HIS 43 Cb 0.50 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.66 2khd h HIS 43 CO -0.10 0.62 0.28 -0.07 -0.00 0.00 0.00 177.93 178.66 2khd h LEU 44 N 0.64 1.09 -1.22 0.26 3.38 -0.86 -2.40 115.31 116.21 2khd h LEU 44 Ca 0.16 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2khd h LEU 44 Cb 0.19 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2khd h LEU 44 CO -0.01 0.99 0.53 -0.33 0.09 0.00 0.00 178.44 179.71 2khd h GLU 45 N 1.14 1.03 0.16 1.13 5.08 -0.38 0.47 114.58 123.21 2khd h GLU 45 Ca 0.25 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2khd h GLU 45 Cb 0.26 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2khd h GLU 45 CO -0.01 0.68 -0.08 0.78 -1.00 0.00 0.00 179.01 179.38 2khd h GLY 46 N 1.06 -0.23 1.76 -3.84 0.00 -0.93 -2.38 103.07 98.52 2khd h GLY 46 Ca 0.30 0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.63 2khd h GLY 46 CO -0.07 -0.08 -0.28 0.50 0.00 0.00 0.00 176.54 176.60 2khd h LYS 47 N -0.43 0.28 -0.94 4.80 1.57 -1.22 -2.78 116.57 117.85 2khd h LYS 47 Ca -0.02 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2khd h LYS 47 Cb 0.34 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 2khd h LYS 47 CO 0.04 0.54 0.61 1.25 -0.57 0.00 0.00 179.45 181.32 2khd h LEU 48 N 0.25 0.99 -1.07 2.94 5.85 0.18 -0.80 115.31 123.65 2khd h LEU 48 Ca 0.04 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2khd h LEU 48 Cb 0.63 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 2khd h LEU 48 CO 0.05 0.66 0.63 0.00 -0.34 0.00 0.00 178.44 179.44 2khd h ALA 49 N 1.41 1.33 -0.34 1.25 0.00 -1.14 -1.13 119.26 120.65 2khd h ALA 49 Ca 0.39 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 2khd h ALA 49 Cb 0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2khd h ALA 49 CO -0.14 0.61 -0.43 0.93 0.00 0.00 0.00 179.25 180.21 2khd h GLU 50 N 1.27 0.86 -0.13 0.00 5.08 -1.30 -1.38 114.58 119.00 2khd h GLU 50 Ca 0.36 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2khd h GLU 50 Cb -0.12 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2khd h GLU 50 CO -0.08 1.12 0.07 1.88 -1.00 0.00 0.00 179.01 180.99 2khd h TYR 51 N 0.69 0.17 -0.36 4.33 -1.99 -0.51 0.35 116.97 119.65 2khd h TYR 51 Ca 0.05 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 2khd h TYR 51 Cb 1.02 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.68 2khd h TYR 51 CO 0.06 0.19 0.04 0.82 -0.00 0.00 0.00 178.16 179.27 2khd h ILE 52 N 0.10 1.25 -0.65 -2.88 2.04 -1.23 -1.37 117.51 114.77 2khd h ILE 52 Ca 0.04 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 2khd h ILE 52 Cb 0.08 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2khd h ILE 52 CO -0.01 0.30 0.27 0.28 0.00 0.00 0.00 178.15 179.00 2khd h SER 53 N 0.45 0.88 -0.61 1.72 0.02 -1.07 -1.70 113.55 113.24 2khd h SER 53 Ca 0.11 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 2khd h SER 53 Cb 0.40 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2khd h SER 53 CO 0.01 0.80 0.22 0.25 -1.14 0.00 0.00 176.83 176.97 2khd h LEU 54 N 0.91 0.86 -0.73 5.07 5.85 -0.15 -1.67 115.31 125.45 2khd h LEU 54 Ca 0.22 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2khd h LEU 54 Cb 0.19 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2khd h LEU 54 CO -0.02 0.81 0.35 0.00 -0.34 0.00 0.00 178.44 179.24 2khd h ALA 55 N 1.08 0.95 -0.52 1.25 0.00 -0.92 -1.17 119.26 119.92 2khd h ALA 55 Ca 0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2khd h ALA 55 Cb 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2khd h ALA 55 CO -0.01 0.52 0.10 0.87 0.00 0.00 0.00 179.25 180.73 2khd h LYS 56 N 1.03 0.85 -0.57 0.00 1.57 -1.02 0.94 116.57 119.38 2khd h LYS 56 Ca 0.25 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2khd h LYS 56 Cb 0.13 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2khd h LYS 56 CO -0.03 0.83 0.13 0.37 -0.57 0.00 0.00 179.45 180.18 2khd h GLN 57 N 0.74 0.92 -0.20 3.15 4.15 -0.99 1.77 115.11 124.64 2khd h GLN 57 Ca 0.16 -0.22 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 2khd h GLN 57 Cb 0.37 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2khd h GLN 57 CO 0.01 0.85 -0.10 0.28 -1.93 0.00 0.00 178.83 177.94 2khd h VAL 58 N 0.82 1.31 0.00 2.39 2.07 -1.03 -3.41 116.25 118.41 2khd h VAL 58 Ca 0.18 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.46 2khd h VAL 58 Cb 0.35 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2khd h VAL 58 CO 0.00 0.36 -0.84 0.00 0.02 0.00 0.00 177.57 177.11 2khd n TYR 59 N -4.55 0.00 0.00 1.57 9.36 0.31 -5.10 117.16 118.75 2khd n TYR 59 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 2khd n TYR 59 Cb 0.33 -0.31 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 2khd n TYR 59 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2khd n ALA 60 N -3.86 -0.83 -2.83 2.98 0.00 0.60 -4.87 120.51 111.71 2khd n ALA 60 Ca -0.12 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 2khd n ALA 60 Cb 0.37 -0.43 0.02 0.00 0.00 0.00 0.00 19.45 19.42 2khd n ALA 60 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2khd n ASN 61 N -1.07 -5.99 -4.89 0.00 5.03 -1.26 -4.96 115.26 102.11 2khd n ASN 61 Ca 0.00 -0.20 -0.30 0.00 0.87 0.00 0.00 54.58 54.95 2khd n ASN 61 Cb 0.00 -4.89 -0.04 0.00 -1.02 0.00 0.00 39.78 33.83 2khd n ASN 61 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2khd s VAL 62 N -3.13 4.96 -0.11 2.41 0.11 -1.26 -5.09 120.40 118.29 2khd s VAL 62 Ca 0.21 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 2khd s VAL 62 Cb -0.09 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 31.05 2khd s VAL 62 CO 0.26 -0.25 -0.12 -1.61 -3.33 0.00 0.00 175.10 170.05 2khd s GLU 63 N -3.29 3.21 0.10 1.54 2.02 -1.26 -5.02 118.70 115.99 2khd s GLU 63 Ca 0.46 -0.66 -0.04 0.00 0.02 0.00 0.00 54.97 54.75 2khd s GLU 63 Cb -0.11 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 2khd s GLU 63 CO 0.27 0.32 0.09 1.52 0.02 0.00 0.00 175.26 177.48 2khd s TYR 64 N 0.07 0.50 0.06 1.61 1.13 -1.26 -1.89 117.35 117.57 2khd s TYR 64 Ca -0.05 -0.95 0.00 0.00 -1.41 0.00 0.00 57.07 54.67 2khd s TYR 64 Cb -0.14 -0.28 -0.04 0.00 -1.10 0.00 0.00 41.96 40.40 2khd s TYR 64 CO 0.04 -0.51 -0.04 -1.21 -2.51 0.00 0.00 175.55 171.32 2khd s GLU 65 N -3.95 0.62 -0.06 -3.49 0.41 -0.32 -4.97 118.70 106.94 2khd s GLU 65 Ca 0.13 -1.12 0.04 0.00 -0.41 0.00 0.00 54.97 53.60 2khd s GLU 65 Cb 0.06 0.04 0.00 0.00 -1.78 0.00 0.00 34.13 32.46 2khd s GLU 65 CO -0.06 -0.06 -0.17 0.54 -0.49 0.00 0.00 175.26 175.02 2khd s VAL 66 N -3.27 1.48 0.70 2.63 0.11 -1.26 -0.99 120.40 119.79 2khd s VAL 66 Ca 0.04 -0.71 -0.06 0.00 -2.93 0.00 0.00 61.98 58.32 2khd s VAL 66 Cb 0.03 -1.29 0.06 0.00 -1.53 0.00 0.00 36.38 33.65 2khd s VAL 66 CO -0.06 0.43 1.00 0.00 -3.33 0.00 0.00 175.10 173.13 2khd s ALA 67 N 0.30 3.22 0.20 1.54 0.00 -1.00 -4.99 121.76 121.03 2khd s ALA 67 Ca -0.10 -1.00 -0.33 0.00 0.00 0.00 0.00 51.96 50.53 2khd s ALA 67 Cb -0.14 -2.53 -0.14 0.00 0.00 0.00 0.00 23.12 20.31 2khd s ALA 67 CO 0.04 -1.28 1.48 -2.30 0.00 0.00 0.00 175.76 173.70 2khd n PRO 68 N -2.89 2.05 -4.49 0.00 -0.02 -1.26 -4.84 135.00 123.55 2khd n PRO 68 Ca 0.08 0.73 -0.22 0.00 -2.02 0.00 0.00 63.50 62.07 2khd n PRO 68 Cb 0.60 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 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 0.40 0.96 0.62 -1.45 1.01 -1.26 -4.91 120.40 115.77 2khd s VAL 69 Ca 0.74 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 2khd s VAL 69 Cb -0.68 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2khd s VAL 69 CO 0.44 0.30 1.06 0.00 0.00 0.00 0.00 175.10 176.90 2khd s ALA 70 N 0.39 2.70 0.23 5.51 0.00 -1.26 -4.94 121.76 124.39 2khd s ALA 70 Ca -0.08 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.14 2khd s ALA 70 Cb -0.12 -3.22 0.20 0.00 0.00 0.00 0.00 23.12 19.98 2khd s ALA 70 CO 0.02 -0.95 1.82 -0.44 0.00 0.00 0.00 175.76 176.21 2khd h ASP 71 N 0.12 1.10 -0.50 0.00 3.32 -2.00 -1.95 116.42 116.52 2khd h ASP 71 Ca -0.46 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.45 2khd h ASP 71 Cb 1.22 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2khd h ASP 71 CO 0.57 0.93 0.00 0.59 -1.72 0.00 0.00 179.24 179.61 2khd n ASN 72 N -4.30 4.06 -4.74 6.45 3.02 -1.26 -1.20 115.26 117.28 2khd n ASN 72 Ca 0.08 -2.44 -0.40 0.00 -0.03 0.00 0.00 54.58 51.79 2khd n ASN 72 Cb 0.15 -0.55 0.02 0.00 -0.61 0.00 0.00 39.78 38.79 2khd n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2khd n ALA 73 N 0.75 1.77 0.73 5.41 0.00 -0.73 -4.78 120.51 123.66 2khd n ALA 73 Ca 0.21 0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.96 2khd n ALA 73 Cb 0.79 -2.35 0.06 0.00 0.00 0.00 0.00 19.45 17.95 2khd n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2khd n THR 74 N -0.39 0.00 -4.09 0.00 -2.24 -1.25 -3.70 114.28 102.60 2khd n THR 74 Ca 0.07 -0.46 -0.08 0.00 -2.27 0.00 0.00 64.05 61.30 2khd n THR 74 Cb 0.42 1.33 -0.10 0.00 -2.10 0.00 0.00 70.33 69.87 2khd n THR 74 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2khd s GLU 75 N -1.56 0.61 -0.06 -0.78 2.02 -1.26 -1.36 118.70 116.32 2khd s GLU 75 Ca 0.19 -1.15 0.04 0.00 0.02 0.00 0.00 54.97 54.07 2khd s GLU 75 Cb 0.14 0.09 -0.00 0.00 0.10 0.00 0.00 34.13 34.46 2khd s GLU 75 CO 0.26 -0.08 -0.18 -1.17 0.02 0.00 0.00 175.26 174.11 2khd s LEU 76 N -2.71 1.91 -0.21 1.80 2.96 -0.36 -4.93 118.68 117.15 2khd s LEU 76 Ca 0.04 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2khd s LEU 76 Cb 0.04 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.66 2khd s LEU 76 CO -0.07 0.14 -0.05 -1.00 -1.32 0.00 0.00 176.35 174.05 2khd s HIS 77 N 0.17 2.95 0.10 5.38 3.76 -1.26 -2.70 115.29 123.68 2khd s HIS 77 Ca -0.08 -0.90 -0.09 0.00 -0.15 0.00 0.00 55.06 53.84 2khd s HIS 77 Cb -0.14 -2.08 -0.00 0.00 1.11 0.00 0.00 32.58 31.47 2khd s HIS 77 CO 0.04 -0.51 0.20 0.00 -0.85 0.00 0.00 174.74 173.62 2khd s ALA 78 N 1.35 -0.20 0.01 -1.40 0.00 -1.00 -2.36 121.76 118.15 2khd s ALA 78 Ca 0.04 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.41 2khd s ALA 78 Cb -0.14 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 2khd s ALA 78 CO -0.03 -0.53 -0.18 1.03 0.00 0.00 0.00 175.76 176.06 2khd s ARG 79 N -3.87 1.34 0.07 0.00 0.52 -0.17 0.06 118.95 116.90 2khd s ARG 79 Ca 0.07 -0.72 0.06 0.00 -0.52 0.00 0.00 55.73 54.62 2khd s ARG 79 Cb 0.05 -1.34 -0.03 0.00 0.52 0.00 0.00 34.95 34.15 2khd s ARG 79 CO -0.10 0.36 -0.16 -0.06 0.02 0.00 0.00 175.30 175.36 2khd s PHE 80 N -0.56 1.41 -0.29 -0.53 0.40 -0.57 -1.18 117.98 116.65 2khd s PHE 80 Ca 0.06 -0.42 -0.09 0.00 -0.60 0.00 0.00 56.93 55.89 2khd s PHE 80 Cb -0.07 -0.80 -0.02 0.00 0.51 0.00 0.00 43.02 42.64 2khd s PHE 80 CO 0.00 0.09 0.13 0.21 0.70 0.00 0.00 175.22 176.36 2khd s LYS 81 N -1.59 3.46 -0.03 0.44 2.20 -0.79 -1.74 119.74 121.70 2khd s LYS 81 Ca 0.02 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 55.03 2khd s LYS 81 Cb -0.09 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 2khd s LYS 81 CO 0.02 -0.34 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.50 2khd s PHE 82 N 1.62 2.79 0.30 4.03 0.08 0.13 -4.55 117.98 122.38 2khd s PHE 82 Ca 0.05 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 57.04 2khd s PHE 82 Cb -0.16 -1.62 0.49 0.00 -0.57 0.00 0.00 43.02 41.15 2khd s PHE 82 CO 0.06 0.28 1.77 1.49 -0.10 0.00 0.00 175.22 178.72 2khd h GLU 83 N 5.00 0.45 -4.74 0.44 4.22 -1.94 -3.40 114.58 114.62 2khd h GLU 83 Ca -0.48 -0.15 -0.25 0.00 0.08 0.00 0.00 59.36 58.56 2khd h GLU 83 Cb 1.16 -0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.23 2khd h GLU 83 CO 0.51 0.63 -0.69 0.14 -2.18 0.00 0.00 179.01 177.43 2khd s VAL 84 N -4.60 0.74 -0.18 0.32 -7.23 -1.26 -4.87 120.40 103.32 2khd s VAL 84 Ca -0.07 -1.96 0.27 0.00 -1.81 0.00 0.00 61.98 58.41 2khd s VAL 84 Cb 0.14 -1.83 0.34 0.00 0.56 0.00 0.00 36.38 35.59 2khd s VAL 84 CO 0.78 -0.74 1.76 0.28 -0.31 0.00 0.00 175.10 176.87 2khd h SER 85 N 2.87 0.00 -0.82 4.85 0.02 -1.87 -3.18 113.55 115.42 2khd h SER 85 Ca -0.36 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2khd h SER 85 Cb 1.18 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 2khd h SER 85 CO 0.64 0.04 0.41 0.00 -1.14 0.00 0.00 176.83 176.78 2khd h ALA 86 N 1.96 1.17 -0.12 3.77 0.00 -1.97 -1.84 119.26 122.23 2khd h ALA 86 Ca -0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2khd h ALA 86 Cb 0.82 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2khd h ALA 86 CO 0.01 0.64 -0.35 0.93 0.00 0.00 0.00 179.25 180.47 2khd h GLU 87 N 1.17 0.23 -0.01 0.00 4.39 -1.98 -1.65 114.58 116.73 2khd h GLU 87 Ca 0.29 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 2khd h GLU 87 Cb 0.09 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2khd h GLU 87 CO -0.04 0.56 0.00 -0.22 -1.16 0.00 0.00 179.01 178.15 2khd h LYS 88 N 0.20 0.02 -0.40 2.33 3.11 -1.45 0.61 116.57 120.99 2khd h LYS 88 Ca 0.02 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.83 2khd h LYS 88 Cb 0.72 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.93 2khd h LYS 88 CO 0.05 0.23 0.14 -0.07 -2.81 0.00 0.00 179.45 177.00 2khd h LEU 89 N -0.20 0.57 -0.37 5.20 3.38 -1.34 0.24 115.31 122.80 2khd h LEU 89 Ca 0.00 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2khd h LEU 89 Cb 0.22 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2khd h LEU 89 CO -0.00 0.60 -0.01 0.40 0.09 0.00 0.00 178.44 179.52 2khd h ILE 90 N 0.50 1.26 -0.46 1.22 2.04 -1.21 -1.61 117.51 119.25 2khd h ILE 90 Ca 0.13 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 2khd h ILE 90 Cb 0.23 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2khd h ILE 90 CO -0.01 0.34 0.25 0.15 0.00 0.00 0.00 178.15 178.89 2khd h PHE 91 N 0.47 0.63 -0.34 1.37 3.57 0.41 0.31 116.94 123.36 2khd h PHE 91 Ca 0.10 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2khd h PHE 91 Cb 0.49 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2khd h PHE 91 CO 0.04 0.47 0.17 1.49 -2.23 0.00 0.00 178.31 178.25 2khd h GLU 92 N 0.61 0.49 -0.51 1.11 4.81 -0.84 0.96 114.58 121.20 2khd h GLU 92 Ca 0.16 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2khd h GLU 92 Cb 0.05 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2khd h GLU 92 CO -0.03 0.43 0.18 -0.07 -0.73 0.00 0.00 179.01 178.79 2khd h LEU 93 N 0.42 0.72 -0.62 1.64 3.38 -1.03 -0.76 115.31 119.06 2khd h LEU 93 Ca 0.12 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2khd h LEU 93 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2khd h LEU 93 CO -0.02 0.72 0.11 0.11 0.09 0.00 0.00 178.44 179.46 2khd h LYS 94 N 0.69 1.02 -0.39 1.13 1.57 -0.71 -2.40 116.57 117.48 2khd h LYS 94 Ca 0.17 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 2khd h LYS 94 Cb 0.24 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2khd h LYS 94 CO -0.01 0.95 -0.05 1.79 -0.57 0.00 0.00 179.45 181.56 2khd h THR 95 N 0.94 1.23 -0.60 -0.16 1.35 -0.54 -1.25 112.91 113.88 2khd h THR 95 Ca 0.19 -0.99 -0.04 0.00 -0.55 0.00 0.00 66.41 65.02 2khd h THR 95 Cb 0.41 0.99 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 2khd h THR 95 CO 0.01 0.34 0.23 0.03 -0.25 0.00 0.00 175.52 175.87 2khd h ARG 96 N 0.61 0.91 -0.46 4.72 2.47 -0.78 -0.24 114.38 121.61 2khd h ARG 96 Ca 0.12 -0.17 -0.11 0.00 -1.26 0.00 0.00 59.98 58.55 2khd h ARG 96 Cb 0.46 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 2khd h ARG 96 CO 0.02 0.79 -0.17 0.00 0.56 0.00 0.00 179.97 181.17 2khd h ALA 97 N 1.08 0.84 -0.33 0.04 0.00 -1.08 -0.16 119.26 119.66 2khd h ALA 97 Ca 0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2khd h ALA 97 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2khd h ALA 97 CO -0.01 0.64 0.13 1.25 0.00 0.00 0.00 179.25 181.26 2khd h LEU 98 N 0.78 0.46 -0.75 0.00 7.12 -0.77 0.20 115.31 122.35 2khd h LEU 98 Ca 0.11 -0.17 -0.11 0.00 0.13 0.00 0.00 57.88 57.84 2khd h LEU 98 Cb 0.70 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.70 2khd h LEU 98 CO 0.05 0.51 -0.18 0.00 -0.13 0.00 0.00 178.44 178.69 2khd h ALA 99 N 0.97 0.93 -0.00 1.25 0.00 -0.90 -2.09 119.26 119.42 2khd h ALA 99 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2khd h ALA 99 Cb 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2khd h ALA 99 CO -0.01 0.62 -0.02 0.54 0.00 0.00 0.00 179.25 180.37 2khd n ARG 100 N -4.13 0.44 -3.48 0.00 1.74 -0.08 -4.95 116.66 106.19 2khd n ARG 100 Ca 0.01 -0.03 -0.27 0.00 -0.77 0.00 0.00 57.85 56.78 2khd n ARG 100 Cb 0.41 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.37 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 -1.25 -3.36 -4.75 0.55 4.77 0.68 -4.84 117.00 108.79 2khd n LEU 101 Ca 0.14 -0.33 -0.38 0.00 -0.03 0.00 0.00 56.01 55.41 2khd n LEU 101 Cb 0.25 -1.98 0.03 0.00 -2.33 0.00 0.00 43.42 39.39 2khd n LEU 101 CO 0.24 -0.27 0.94 -1.61 -1.33 0.00 0.00 177.39 175.35 2khd s GLU 102 N -3.33 3.26 -0.60 3.23 0.41 -1.14 -4.94 118.70 115.60 2khd s GLU 102 Ca 0.21 2.09 -0.21 0.00 -0.41 0.00 0.00 54.97 56.65 2khd s GLU 102 Cb -0.03 -2.26 0.07 0.00 -1.78 0.00 0.00 34.13 30.13 2khd s GLU 102 CO 0.86 -1.05 0.83 -1.01 -0.49 0.00 0.00 175.26 174.41 2khd s HIS 103 N -1.38 2.84 -0.80 1.61 3.76 -1.26 -4.82 115.29 115.24 2khd s HIS 103 Ca 0.70 -0.56 0.22 0.00 -0.15 0.00 0.00 55.06 55.27 2khd s HIS 103 Cb -0.37 -4.05 -0.17 0.00 1.11 0.00 0.00 32.58 29.10 2khd s HIS 103 CO 0.43 -1.40 0.87 -2.39 -0.85 0.00 0.00 174.74 171.41 2khd n HIS 104 N 7.05 0.03 -0.97 1.40 1.44 -1.26 -5.08 115.22 117.83 2khd n HIS 104 Ca -0.05 0.01 0.09 0.00 -2.01 0.00 0.00 57.72 55.76 2khd n HIS 104 Cb 0.45 -0.14 -0.02 0.00 0.12 0.00 0.00 29.99 30.39 2khd n HIS 104 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2khd n HIS 105 N -1.68 -2.74 -3.04 -1.40 8.25 -1.26 -4.91 115.22 108.44 2khd n HIS 105 Ca 0.03 0.86 -0.00 0.00 -0.26 0.00 0.00 57.72 58.34 2khd n HIS 105 Cb 0.38 -1.58 0.00 0.00 1.12 0.00 0.00 29.99 29.91 2khd n HIS 105 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2khd n HIS 106 N -2.35 -1.34 -4.67 4.41 -0.00 -1.26 -4.97 115.22 105.04 2khd n HIS 106 Ca 0.00 0.59 -0.32 0.00 -0.00 0.00 0.00 57.72 57.99 2khd n HIS 106 Cb 0.32 -2.00 -0.17 0.00 -0.00 0.00 0.00 29.99 28.14 2khd n HIS 106 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2khd s HIS 107 N -1.22 2.66 0.00 1.57 2.46 -1.26 -5.28 115.29 114.22 2khd s HIS 107 Ca 0.00 -1.34 0.00 0.00 0.47 0.00 0.00 55.06 54.19 2khd s HIS 107 Cb -0.00 -1.81 0.00 0.00 -0.13 0.00 0.00 32.58 30.64 2khd s HIS 107 CO 0.27 -0.61 0.00 1.58 -2.47 0.00 0.00 174.74 173.50