#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hko s GLU 2 N 0.00 0.74 -0.08 0.00 2.12 -1.26 -5.19 118.70 115.02 1hko s GLU 2 Ca 0.00 -0.43 -0.32 0.00 0.36 0.00 0.00 54.97 54.58 1hko s GLU 2 Cb 0.00 0.24 0.13 0.00 0.26 0.00 0.00 34.13 34.75 1hko s GLU 2 CO 0.00 -0.34 1.40 -2.00 -0.54 0.00 0.00 175.26 173.78 1hko s GLU 3 N -2.54 0.07 -0.03 4.30 2.12 -1.26 -5.19 118.70 116.18 1hko s GLU 3 Ca 0.17 -0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.15 1hko s GLU 3 Cb 0.01 0.02 0.12 0.00 0.26 0.00 0.00 34.13 34.55 1hko s GLU 3 CO -0.00 -0.03 1.31 -1.12 -0.54 0.00 0.00 175.26 174.88 1hko s SER 4 N -3.37 -0.04 0.14 -1.70 0.01 -1.26 -5.19 113.70 102.29 1hko s SER 4 Ca 0.22 -0.12 -0.07 0.00 1.31 0.00 0.00 55.95 57.28 1hko s SER 4 Cb 0.05 0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.39 1hko s SER 4 CO -0.05 -0.25 0.21 -0.55 0.41 0.00 0.00 173.24 173.01 1hko s SER 5 N -3.12 0.12 0.25 2.44 0.15 -1.26 -5.18 113.70 107.11 1hko s SER 5 Ca 0.17 -0.90 -0.22 0.00 0.70 0.00 0.00 55.95 55.70 1hko s SER 5 Cb 0.05 0.38 0.03 0.00 -1.71 0.00 0.00 66.02 64.77 1hko s SER 5 CO -0.04 -0.82 0.69 -0.54 1.20 0.00 0.00 173.24 173.73 1hko s LYS 6 N -3.96 1.65 -0.37 5.44 1.02 -1.26 -5.02 119.74 117.23 1hko s LYS 6 Ca 0.16 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 1hko s LYS 6 Cb 0.05 0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 37.95 1hko s LYS 6 CO -0.02 -0.75 0.34 0.00 -0.92 0.00 0.00 175.35 174.00 1hko n ALA 7 N -0.44 -1.73 -0.22 5.17 0.00 -1.26 -4.86 120.51 117.17 1hko n ALA 7 Ca -0.07 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1hko n ALA 7 Cb 0.61 -1.43 0.02 0.00 0.00 0.00 0.00 19.45 18.65 1hko n ALA 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1hko n VAL 8 N -1.67 -0.30 0.00 0.00 3.14 -1.20 -4.64 118.33 113.68 1hko n VAL 8 Ca -0.01 1.31 0.00 0.00 -2.96 0.00 0.00 64.34 62.68 1hko n VAL 8 Cb 0.52 -1.73 0.00 0.00 -1.06 0.00 0.00 33.84 31.57 1hko n VAL 8 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1hko n LYS 9 N -4.82 0.00 -3.88 1.45 4.81 -0.89 -4.70 118.16 110.13 1hko n LYS 9 Ca 0.06 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.32 1hko n LYS 9 Cb 0.22 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.11 1hko n LYS 9 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1hko s TYR 10 N 0.00 0.27 0.33 5.64 -0.85 -1.26 0.22 117.35 121.70 1hko s TYR 10 Ca 0.00 0.03 0.04 0.00 -0.52 0.00 0.00 57.07 56.62 1hko s TYR 10 Cb 0.00 -0.41 -0.04 0.00 0.38 0.00 0.00 41.96 41.89 1hko s TYR 10 CO 0.00 -0.14 0.16 0.71 -1.52 0.00 0.00 175.55 174.76 1hko s TYR 11 N 1.17 1.66 0.17 -3.49 2.02 0.71 -4.86 117.35 114.73 1hko s TYR 11 Ca -0.08 -1.37 0.05 0.00 -0.37 0.00 0.00 57.07 55.30 1hko s TYR 11 Cb -0.13 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.48 1hko s TYR 11 CO -0.02 -0.50 0.16 0.95 -1.57 0.00 0.00 175.55 174.56 1hko s THR 12 N -3.51 4.56 0.36 -0.71 -4.23 -1.26 -0.15 115.64 110.70 1hko s THR 12 Ca 0.34 -1.08 0.15 0.00 -1.18 0.00 0.00 61.69 59.91 1hko s THR 12 Cb 0.04 -3.34 0.36 0.00 1.34 0.00 0.00 72.50 70.90 1hko s THR 12 CO 0.18 -0.14 1.75 -0.07 -0.54 0.00 0.00 174.62 175.80 1hko h LEU 13 N 2.28 0.54 0.31 4.79 3.38 -1.91 0.13 115.31 124.83 1hko h LEU 13 Ca -0.48 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1hko h LEU 13 Cb 1.20 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1hko h LEU 13 CO 0.63 0.08 -0.15 -0.33 0.09 0.00 0.00 178.44 178.76 1hko h GLU 14 N 0.46 -0.41 -1.00 1.13 3.07 -1.95 0.67 114.58 116.56 1hko h GLU 14 Ca 0.63 0.03 0.20 0.00 -0.50 0.00 0.00 59.36 59.72 1hko h GLU 14 Cb 1.43 0.09 -0.11 0.00 -0.84 0.00 0.00 28.75 29.32 1hko h GLU 14 CO -0.38 -0.17 0.61 1.49 -1.40 0.00 0.00 179.01 179.16 1hko h GLU 15 N -0.59 0.68 0.02 2.33 4.57 -1.20 0.74 114.58 121.14 1hko h GLU 15 Ca -0.04 -0.04 -0.21 0.00 -1.18 0.00 0.00 59.36 57.88 1hko h GLU 15 Cb 0.43 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1hko h GLU 15 CO 0.07 0.45 -0.95 0.82 -1.18 0.00 0.00 179.01 178.22 1hko h ILE 16 N 0.70 1.51 -0.63 2.32 2.04 -0.87 -2.87 117.51 119.70 1hko h ILE 16 Ca 0.59 -2.74 -0.09 0.00 1.00 0.00 0.00 64.86 63.61 1hko h ILE 16 Cb 0.99 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 39.62 1hko h ILE 16 CO -0.38 0.80 0.02 -0.61 0.00 0.00 0.00 178.15 177.98 1hko h GLN 17 N 0.11 1.09 -0.06 2.37 4.15 0.49 -2.35 115.11 120.91 1hko h GLN 17 Ca -0.06 -0.34 -0.07 0.00 0.77 0.00 0.00 58.65 58.95 1hko h GLN 17 Cb 1.61 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 29.18 1hko h GLN 17 CO 0.15 1.05 -0.30 0.87 -1.93 0.00 0.00 178.83 178.67 1hko h LYS 18 N 1.00 0.11 -5.15 1.69 1.79 0.23 -3.35 116.57 112.90 1hko h LYS 18 Ca 0.18 -0.04 -0.70 0.00 -2.18 0.00 0.00 60.65 57.91 1hko h LYS 18 Cb 0.54 -0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 31.03 1hko h LYS 18 CO 0.03 0.41 1.36 -1.01 -1.08 0.00 0.00 179.45 179.15 1hko s HIS 19 N -4.36 3.17 -0.06 -1.35 3.76 -0.89 -4.57 115.29 110.99 1hko s HIS 19 Ca -0.04 -1.70 0.11 0.00 -0.15 0.00 0.00 55.06 53.28 1hko s HIS 19 Cb 0.15 -4.42 0.20 0.00 1.11 0.00 0.00 32.58 29.62 1hko s HIS 19 CO 0.73 -1.55 1.09 -1.71 -0.85 0.00 0.00 174.74 172.46 1hko n ASN 20 N 6.69 1.06 -4.96 1.40 4.05 -1.26 -1.58 115.26 120.67 1hko n ASN 20 Ca 0.35 -2.54 -0.21 0.00 0.45 0.00 0.00 54.58 52.62 1hko n ASN 20 Cb 0.46 -0.32 -0.02 0.00 1.23 0.00 0.00 39.78 41.13 1hko n ASN 20 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1hko s ASN 21 N -1.97 6.27 0.00 1.20 -0.87 -1.26 -4.86 114.94 113.45 1hko s ASN 21 Ca 0.19 0.05 0.02 0.00 -1.57 0.00 0.00 52.86 51.55 1hko s ASN 21 Cb 0.18 -1.83 0.14 0.00 -0.02 0.00 0.00 41.25 39.72 1hko s ASN 21 CO -0.02 -0.06 0.88 -1.54 -2.57 0.00 0.00 177.10 173.79 1hko n SER 22 N -1.37 0.00 -0.02 -1.22 3.41 -1.26 0.21 113.62 113.36 1hko n SER 22 Ca -0.09 -1.49 0.01 0.00 -0.26 0.00 0.00 58.87 57.04 1hko n SER 22 Cb 0.57 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1hko n SER 22 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1hko n LYS 23 N -0.55 3.58 -0.63 4.33 5.02 -1.26 -4.68 118.16 123.97 1hko n LYS 23 Ca 0.02 -0.24 -0.01 0.00 -2.02 0.00 0.00 58.31 56.06 1hko n LYS 23 Cb 0.01 -0.75 -0.01 0.00 -0.02 0.00 0.00 35.03 34.26 1hko n LYS 23 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hko n SER 24 N -0.58 -0.08 -4.47 4.39 2.88 -0.68 -5.01 113.62 110.07 1hko n SER 24 Ca 0.01 -1.45 -0.43 0.00 -1.33 0.00 0.00 58.87 55.67 1hko n SER 24 Cb 0.03 -0.02 -0.13 0.00 -0.75 0.00 0.00 64.21 63.34 1hko n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1hko n THR 25 N 0.03 -0.00 -4.76 2.46 -1.04 0.57 -4.39 114.28 107.14 1hko n THR 25 Ca -0.04 -0.12 -0.31 0.00 -2.04 0.00 0.00 64.05 61.54 1hko n THR 25 Cb 0.62 -0.85 -0.13 0.00 -1.82 0.00 0.00 70.33 68.15 1hko n THR 25 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1hko s TRP 26 N 8.99 2.59 0.25 -1.42 0.52 -0.61 0.13 118.94 129.39 1hko s TRP 26 Ca 1.28 -0.23 -0.13 0.00 0.02 0.00 0.00 56.10 57.04 1hko s TRP 26 Cb -1.13 -1.52 -0.00 0.00 -1.15 0.00 0.00 33.47 29.67 1hko s TRP 26 CO 0.48 0.22 0.49 -0.48 0.02 0.00 0.00 176.95 177.68 1hko s LEU 27 N -1.19 0.32 -0.10 2.99 -0.00 -0.92 0.08 118.68 119.87 1hko s LEU 27 Ca 0.14 -0.95 0.01 0.00 -0.00 0.00 0.00 54.13 53.33 1hko s LEU 27 Cb -0.11 1.80 -0.02 0.00 -0.00 0.00 0.00 46.19 47.86 1hko s LEU 27 CO 0.04 -1.16 -0.11 -0.63 -0.00 0.00 0.00 176.35 174.49 1hko s ILE 28 N -3.95 3.33 -0.13 1.48 -1.09 -0.71 -1.52 121.20 118.61 1hko s ILE 28 Ca 0.22 -0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1hko s ILE 28 Cb -0.01 -2.37 0.03 0.00 -1.58 0.00 0.00 42.46 38.53 1hko s ILE 28 CO 0.09 0.56 -0.04 -0.22 -1.23 0.00 0.00 174.94 174.10 1hko s LEU 29 N -0.23 1.18 0.00 2.97 0.20 0.15 0.08 118.68 123.02 1hko s LEU 29 Ca 0.02 -0.40 0.00 0.00 0.69 0.00 0.00 54.13 54.44 1hko s LEU 29 Cb -0.13 -0.76 0.00 0.00 -0.43 0.00 0.00 46.19 44.87 1hko s LEU 29 CO 0.03 -0.17 0.00 1.57 -0.29 0.00 0.00 176.35 177.49 1hko n HIS 30 N 4.98 0.00 -0.11 5.38 -0.00 -1.26 -0.72 115.22 123.49 1hko n HIS 30 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 1hko n HIS 30 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.48 1hko n HIS 30 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.34 178.82 1hko n TYR 31 N 0.00 0.00 -4.41 1.57 0.18 -1.26 -3.07 117.16 110.18 1hko n TYR 31 Ca 0.00 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.51 1hko n TYR 31 Cb 0.00 0.05 -0.09 0.00 -0.38 0.00 0.00 39.34 38.92 1hko n TYR 31 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1hko s LYS 32 N 0.00 2.10 -0.07 -3.48 1.02 0.10 -1.85 119.74 117.56 1hko s LYS 32 Ca 0.00 -2.02 0.03 0.00 0.02 0.00 0.00 55.97 54.00 1hko s LYS 32 Cb 0.00 -1.79 -0.02 0.00 -0.52 0.00 0.00 37.83 35.50 1hko s LYS 32 CO 0.00 -0.12 -0.16 0.08 -0.92 0.00 0.00 175.35 174.23 1hko s VAL 33 N -2.68 2.90 0.11 3.17 1.01 0.22 0.31 120.40 125.44 1hko s VAL 33 Ca 0.35 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1hko s VAL 33 Cb 0.06 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1hko s VAL 33 CO 0.19 0.57 -0.12 -0.31 0.00 0.00 0.00 175.10 175.43 1hko s TYR 34 N -0.38 1.22 -0.85 5.22 1.51 -0.58 -0.83 117.35 122.66 1hko s TYR 34 Ca 0.04 -0.59 -0.17 0.00 -1.01 0.00 0.00 57.07 55.34 1hko s TYR 34 Cb -0.12 -0.65 0.16 0.00 -0.11 0.00 0.00 41.96 41.23 1hko s TYR 34 CO 0.02 0.07 0.95 0.34 -1.11 0.00 0.00 175.55 175.82 1hko s ASP 35 N -2.38 6.63 0.57 2.29 -1.08 -1.02 -2.16 116.67 119.52 1hko s ASP 35 Ca 0.06 -2.20 0.27 0.00 -0.52 0.00 0.00 52.55 50.16 1hko s ASP 35 Cb -0.04 -2.32 1.58 0.00 -1.46 0.00 0.00 42.92 40.68 1hko s ASP 35 CO 0.02 -0.90 2.08 -0.07 0.52 0.00 0.00 175.17 176.82 1hko h LEU 36 N 9.43 0.00 -1.55 -1.34 3.38 0.72 -1.67 115.31 124.29 1hko h LEU 36 Ca 0.09 0.00 0.45 0.00 0.09 0.00 0.00 57.88 58.51 1hko h LEU 36 Cb 1.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 1hko h LEU 36 CO 0.98 0.00 1.32 0.41 0.09 0.00 0.00 178.44 181.24 1hko n THR 37 N -3.94 0.00 -0.08 0.22 -1.04 -1.07 0.18 114.28 108.55 1hko n THR 37 Ca 0.03 1.36 -0.16 0.00 -2.04 0.00 0.00 64.05 63.24 1hko n THR 37 Cb 0.36 -2.34 -0.12 0.00 -1.82 0.00 0.00 70.33 66.41 1hko n THR 37 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1hko h LYS 38 N 0.00 0.00 0.00 -2.82 3.64 -1.63 -3.29 116.57 112.47 1hko h LYS 38 Ca 0.74 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.12 1hko h LYS 38 Cb 3.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 35.18 1hko h LYS 38 CO -0.01 0.97 0.00 0.34 -2.27 0.00 0.00 179.45 178.48 1hko n PHE 39 N -4.56 0.00 -0.15 1.91 -0.00 0.49 -3.51 117.46 111.65 1hko n PHE 39 Ca -0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.16 1hko n PHE 39 Cb 0.53 -0.34 -0.08 0.00 -0.00 0.00 0.00 39.48 39.59 1hko n PHE 39 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1hko h LEU 40 N 0.00 -1.75 0.18 -2.13 -0.00 0.12 -2.30 115.31 109.44 1hko h LEU 40 Ca 0.00 0.24 -0.01 0.00 -0.00 0.00 0.00 57.88 58.11 1hko h LEU 40 Cb 0.16 0.73 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1hko h LEU 40 CO 0.00 -0.39 -0.09 -0.33 -0.00 0.00 0.00 178.44 177.64 1hko h GLU 41 N -0.35 -0.24 0.00 1.13 5.08 -1.80 -3.06 114.58 115.33 1hko h GLU 41 Ca 0.10 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1hko h GLU 41 Cb 0.59 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1hko h GLU 41 CO -0.61 0.09 0.00 -1.91 -1.00 0.00 0.00 179.01 175.58 1hko n GLU 42 N -5.04 -0.54 -0.06 2.33 4.07 -0.87 -4.73 120.64 115.80 1hko n GLU 42 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1hko n GLU 42 Cb 0.23 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.61 1hko n GLU 42 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1hko n HIS 43 N -2.37 0.00 1.51 4.31 -0.00 -1.26 -4.40 115.22 113.01 1hko n HIS 43 Ca 0.00 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.26 1hko n HIS 43 Cb 0.00 -1.17 0.45 0.00 -0.12 0.00 0.00 29.99 29.15 1hko n HIS 43 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1hko n PRO 44 N 0.48 0.75 -0.07 1.57 -0.04 -1.26 -3.35 135.00 133.08 1hko n PRO 44 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 1hko n PRO 44 Cb 0.00 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.09 1hko n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hko n GLY 45 N 0.41 -0.26 0.00 0.55 0.00 -1.26 -5.15 105.19 99.48 1hko n GLY 45 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1hko n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hko n GLY 46 N 2.04 -0.06 0.09 -0.02 0.00 -1.21 -4.94 105.19 101.09 1hko n GLY 46 Ca -0.29 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.22 1hko n GLY 46 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hko h GLU 47 N 0.00 0.00 -0.86 1.61 5.08 -1.77 -3.37 114.58 115.27 1hko h GLU 47 Ca 0.00 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.57 1hko h GLU 47 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 1hko h GLU 47 CO 0.00 0.91 -0.00 1.49 -1.00 0.00 0.00 179.01 180.40 1hko h GLU 48 N -1.00 0.07 -1.86 2.33 4.81 -1.94 1.33 114.58 118.32 1hko h GLU 48 Ca -0.20 -0.00 0.54 0.00 -0.13 0.00 0.00 59.36 59.57 1hko h GLU 48 Cb 1.11 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 1hko h GLU 48 CO -0.12 0.04 1.39 1.55 -0.73 0.00 0.00 179.01 181.14 1hko n VAL 49 N -5.41 0.00 -0.07 0.32 3.14 -1.26 0.31 118.33 115.36 1hko n VAL 49 Ca 0.17 1.44 -0.12 0.00 -2.96 0.00 0.00 64.34 62.87 1hko n VAL 49 Cb 0.57 -2.42 -0.06 0.00 -1.06 0.00 0.00 33.84 30.88 1hko n VAL 49 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1hko n LEU 50 N -3.82 2.02 -0.05 6.55 4.77 0.38 -4.33 117.00 122.52 1hko n LEU 50 Ca 0.42 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 56.34 1hko n LEU 50 Cb 1.95 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 42.55 1hko n LEU 50 CO 0.42 0.52 0.90 -0.09 -1.33 0.00 0.00 177.39 177.81 1hko h ARG 51 N -0.25 0.27 -0.19 3.23 1.12 0.32 0.94 114.38 119.82 1hko h ARG 51 Ca -0.33 -0.03 0.06 0.00 -1.11 0.00 0.00 59.98 58.56 1hko h ARG 51 Cb 1.39 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 31.29 1hko h ARG 51 CO -0.13 0.27 0.16 1.49 -3.11 0.00 0.00 179.97 178.64 1hko h GLU 52 N 0.20 0.00 0.00 0.20 4.22 0.47 0.06 114.58 119.74 1hko h GLU 52 Ca 0.07 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 59.29 1hko h GLU 52 Cb 0.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1hko h GLU 52 CO -0.01 0.00 -1.51 -0.56 -2.18 0.00 0.00 179.01 174.75 1hko h GLN 53 N 0.00 0.00 -6.39 1.92 3.07 -1.33 -3.47 115.11 108.91 1hko h GLN 53 Ca 0.09 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 58.22 1hko h GLN 53 Cb 0.40 0.00 0.04 0.00 0.08 0.00 0.00 27.48 28.01 1hko h GLN 53 CO -0.00 0.39 0.85 0.00 0.09 0.00 0.00 178.83 180.16 1hko n ALA 54 N -2.46 0.85 0.00 0.06 0.00 0.32 -3.35 120.51 115.93 1hko n ALA 54 Ca -0.12 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1hko n ALA 54 Cb 0.93 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1hko n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hko n GLY 55 N 3.62 1.85 0.00 0.00 0.00 0.11 -4.54 105.19 106.24 1hko n GLY 55 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1hko n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hko n GLY 56 N 0.00 -2.47 3.74 -0.02 0.00 -1.21 -3.73 105.19 101.49 1hko n GLY 56 Ca 0.00 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 1hko n GLY 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hko s ASP 57 N -0.95 6.72 -0.00 1.61 2.15 -1.26 -1.73 116.67 123.20 1hko s ASP 57 Ca 0.00 2.58 0.07 0.00 0.43 0.00 0.00 52.55 55.63 1hko s ASP 57 Cb 0.00 -2.62 -0.09 0.00 -0.30 0.00 0.00 42.92 39.91 1hko s ASP 57 CO 0.00 -0.67 0.22 0.00 -0.17 0.00 0.00 175.17 174.55 1hko n ALA 58 N 2.65 2.57 -0.31 3.66 0.00 0.11 -4.67 120.51 124.52 1hko n ALA 58 Ca 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1hko n ALA 58 Cb 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1hko n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hko h THR 59 N 0.00 0.06 -1.09 0.00 1.03 -1.78 1.00 112.91 112.12 1hko h THR 59 Ca 0.00 0.00 0.43 0.00 -0.01 0.00 0.00 66.41 66.83 1hko h THR 59 Cb 0.24 0.06 -0.17 0.00 -1.07 0.00 0.00 68.15 67.21 1hko h THR 59 CO 0.00 0.00 0.62 -1.84 -0.01 0.00 0.00 175.52 174.29 1hko n GLU 60 N -5.43 -0.05 -0.08 0.00 -0.00 -1.26 0.10 120.64 113.93 1hko n GLU 60 Ca 0.06 1.34 -0.12 0.00 -0.00 0.00 0.00 57.16 58.44 1hko n GLU 60 Cb 0.36 -2.47 -0.08 0.00 -0.00 0.00 0.00 31.44 29.25 1hko n GLU 60 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1hko h ASN 61 N 0.00 0.00 -0.16 -1.84 -0.73 0.41 -3.18 115.58 110.09 1hko h ASN 61 Ca 0.85 -0.52 0.05 0.00 1.87 0.00 0.00 56.30 58.55 1hko h ASN 61 Cb 2.39 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.97 1hko h ASN 61 CO -0.69 1.02 0.59 0.15 -0.37 0.00 0.00 177.43 178.12 1hko h PHE 62 N -1.00 0.00 0.18 0.67 3.04 0.31 0.88 116.94 121.02 1hko h PHE 62 Ca -0.11 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.51 1hko h PHE 62 Cb 0.83 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.36 1hko h PHE 62 CO 0.10 0.00 -1.61 0.93 -2.02 0.00 0.00 178.31 175.70 1hko h GLU 63 N 0.00 0.39 0.00 1.11 4.39 0.60 -2.77 114.58 118.30 1hko h GLU 63 Ca 0.08 -0.66 -0.04 0.00 0.34 0.00 0.00 59.36 59.07 1hko h GLU 63 Cb 1.25 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 30.14 1hko h GLU 63 CO -0.00 1.29 -0.18 0.22 -1.16 0.00 0.00 179.01 179.18 1hko h ASP 64 N 0.11 0.00 -0.21 1.42 3.58 0.75 0.05 116.42 122.12 1hko h ASP 64 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1hko h ASP 64 Cb 2.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.14 1hko h ASP 64 CO 0.20 0.18 0.00 0.55 -2.88 0.00 0.00 179.24 177.29 1hko n VAL 65 N -3.72 0.26 -3.02 2.25 3.14 -0.44 -5.00 118.33 111.79 1hko n VAL 65 Ca -0.02 -0.53 -0.15 0.00 -2.96 0.00 0.00 64.34 60.69 1hko n VAL 65 Cb 0.29 0.88 0.01 0.00 -1.06 0.00 0.00 33.84 33.97 1hko n VAL 65 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1hko n GLY 66 N 1.34 0.07 3.89 7.55 0.00 0.00 -4.94 105.19 113.10 1hko n GLY 66 Ca 0.17 0.43 -0.30 0.00 0.00 0.00 0.00 46.02 46.33 1hko n GLY 66 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hko s HIS 67 N -1.05 1.24 0.11 1.61 3.76 -1.08 -5.04 115.29 114.84 1hko s HIS 67 Ca 0.14 0.28 0.04 0.00 -0.15 0.00 0.00 55.06 55.37 1hko s HIS 67 Cb -0.01 -4.12 -0.04 0.00 1.11 0.00 0.00 32.58 29.52 1hko s HIS 67 CO 0.33 -2.95 0.10 -1.54 -0.85 0.00 0.00 174.74 169.83 1hko s SER 68 N -4.81 5.54 0.59 1.40 1.04 -1.26 -4.98 113.70 111.22 1hko s SER 68 Ca 0.75 -0.04 0.29 0.00 0.48 0.00 0.00 55.95 57.43 1hko s SER 68 Cb -0.03 -1.48 1.63 0.00 0.10 0.00 0.00 66.02 66.23 1hko s SER 68 CO 0.54 0.14 2.06 0.74 0.98 0.00 0.00 173.24 177.70 1hko h THR 69 N 2.40 0.44 -0.14 2.02 2.02 -1.99 0.91 112.91 118.57 1hko h THR 69 Ca -0.47 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.59 1hko h THR 69 Cb 1.17 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1hko h THR 69 CO 0.65 0.00 -0.37 -0.78 0.37 0.00 0.00 175.52 175.39 1hko h ASP 70 N 0.00 0.57 -0.28 4.18 1.82 -1.98 -1.37 116.42 119.36 1hko h ASP 70 Ca 0.11 -0.58 0.01 0.00 -0.39 0.00 0.00 57.03 56.18 1hko h ASP 70 Cb 0.62 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 1hko h ASP 70 CO -0.00 1.05 0.16 0.00 -1.61 0.00 0.00 179.24 178.84 1hko h ALA 71 N 0.54 0.35 -0.87 -0.78 0.00 -1.25 0.44 119.26 117.69 1hko h ALA 71 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hko h ALA 71 Cb 0.98 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1hko h ALA 71 CO 0.08 -0.22 0.55 0.00 0.00 0.00 0.00 179.25 179.65 1hko h ARG 72 N 0.33 1.16 -0.40 0.00 3.08 -1.33 -1.79 114.38 115.42 1hko h ARG 72 Ca 0.11 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1hko h ARG 72 Cb 0.01 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1hko h ARG 72 CO -0.06 0.79 0.01 1.49 -1.07 0.00 0.00 179.97 181.13 1hko h GLU 73 N 1.18 0.70 -1.01 0.04 4.81 -0.55 -2.68 114.58 117.08 1hko h GLU 73 Ca 0.31 -0.22 0.12 0.00 -0.13 0.00 0.00 59.36 59.45 1hko h GLU 73 Cb -0.09 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.14 1hko h GLU 73 CO -0.06 0.78 0.63 1.37 -0.73 0.00 0.00 179.01 181.00 1hko h LEU 74 N 0.53 0.93 -1.25 1.64 8.10 0.35 0.18 115.31 125.80 1hko h LEU 74 Ca 0.12 0.05 0.03 0.00 0.11 0.00 0.00 57.88 58.19 1hko h LEU 74 Cb 0.46 -0.14 -0.04 0.00 -0.44 0.00 0.00 40.66 40.50 1hko h LEU 74 CO 0.02 0.49 0.52 0.28 -4.11 0.00 0.00 178.44 175.63 1hko h SER 75 N 0.99 0.84 0.00 0.17 0.02 -1.00 0.27 113.55 114.84 1hko h SER 75 Ca 0.50 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 1hko h SER 75 Cb 0.50 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1hko h SER 75 CO -0.27 0.58 0.00 2.29 -1.14 0.00 0.00 176.83 178.30 1hko n LYS 76 N -4.45 0.04 -0.01 3.45 2.85 0.64 -0.57 118.16 120.12 1hko n LYS 76 Ca 0.10 0.54 -0.18 0.00 -1.05 0.00 0.00 58.31 57.73 1hko n LYS 76 Cb 0.10 -1.65 -0.09 0.00 -0.65 0.00 0.00 35.03 32.75 1hko n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1hko h THR 77 N 0.00 1.32 -0.32 0.58 1.03 -0.40 -3.26 112.91 111.86 1hko h THR 77 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 66.41 64.40 1hko h THR 77 Cb 0.01 2.22 0.00 0.00 -1.07 0.00 0.00 68.15 69.30 1hko h THR 77 CO 0.00 0.61 0.00 0.33 -0.01 0.00 0.00 175.52 176.45 1hko n PHE 78 N -4.05 0.88 -1.66 0.00 7.35 -0.06 -5.01 117.46 114.92 1hko n PHE 78 Ca -0.09 -0.75 -0.49 0.00 -0.76 0.00 0.00 57.45 55.36 1hko n PHE 78 Cb 0.72 -0.24 -0.05 0.00 0.35 0.00 0.00 39.48 40.27 1hko n PHE 78 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1hko n ILE 79 N -0.08 0.19 -0.04 -2.13 5.41 0.27 -2.44 119.36 120.55 1hko n ILE 79 Ca 0.19 -0.03 -0.22 0.00 1.00 0.00 0.00 62.75 63.69 1hko n ILE 79 Cb 0.77 -1.45 -0.13 0.00 -0.71 0.00 0.00 39.64 38.12 1hko n ILE 79 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1hko n ILE 80 N 3.84 1.69 0.00 1.39 -5.35 -0.01 -4.87 119.36 116.05 1hko n ILE 80 Ca 0.20 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1hko n ILE 80 Cb 0.25 -1.86 0.00 0.00 -1.74 0.00 0.00 39.64 36.29 1hko n ILE 80 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hko n GLY 81 N 1.77 1.67 3.67 3.28 0.00 -0.69 -2.09 105.19 112.79 1hko n GLY 81 Ca -0.32 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1hko n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hko s GLU 82 N 4.76 1.64 -0.08 1.61 2.02 0.59 0.72 118.70 129.95 1hko s GLU 82 Ca 0.00 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.50 1hko s GLU 82 Cb 0.00 0.51 -0.02 0.00 0.10 0.00 0.00 34.13 34.72 1hko s GLU 82 CO 0.00 -0.70 1.13 -1.17 0.02 0.00 0.00 175.26 174.53 1hko s LEU 83 N -3.00 4.26 0.00 1.80 2.96 -0.77 -0.21 118.68 123.73 1hko s LEU 83 Ca 0.19 1.70 -0.11 0.00 -0.22 0.00 0.00 54.13 55.70 1hko s LEU 83 Cb -0.02 -3.56 0.15 0.00 0.50 0.00 0.00 46.19 43.26 1hko s LEU 83 CO 0.09 -0.54 0.71 1.57 -1.32 0.00 0.00 176.35 176.86 1hko n HIS 84 N 5.17 -3.77 1.35 5.38 -0.00 0.79 -4.83 115.22 119.32 1hko n HIS 84 Ca 0.10 -0.64 0.00 0.00 0.46 0.00 0.00 57.72 57.65 1hko n HIS 84 Cb 0.47 -0.63 0.00 0.00 -0.12 0.00 0.00 29.99 29.71 1hko n HIS 84 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1hko n PRO 85 N -3.03 0.75 0.14 1.57 -0.04 -1.26 -2.74 135.00 130.39 1hko n PRO 85 Ca 0.09 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.59 1hko n PRO 85 Cb 0.34 -1.08 0.04 0.00 -0.04 0.00 0.00 33.50 32.76 1hko n PRO 85 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1hko h ASP 86 N 0.05 0.00 0.00 3.54 3.58 -1.89 -3.40 116.42 118.29 1hko h ASP 86 Ca 0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 1hko h ASP 86 Cb 0.08 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 40.99 1hko h ASP 86 CO 0.00 0.41 -0.28 0.47 -2.88 0.00 0.00 179.24 176.96 1hko n ASP 87 N -3.17 -2.14 0.00 2.28 9.92 -1.11 -4.91 116.55 117.42 1hko n ASP 87 Ca 0.01 -2.73 0.00 0.00 -0.53 0.00 0.00 54.79 51.55 1hko n ASP 87 Cb 0.70 1.42 0.00 0.00 -0.64 0.00 0.00 41.12 42.61 1hko n ASP 87 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1hko n ARG 88 N 1.31 0.00 0.00 -1.24 5.12 -1.21 -3.91 116.66 116.73 1hko n ARG 88 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1hko n ARG 88 Cb 0.68 -0.31 0.01 0.00 -1.16 0.00 0.00 32.46 31.68 1hko n ARG 88 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1hko n SER 89 N -0.54 0.01 0.15 0.55 2.88 -1.26 0.20 113.62 115.61 1hko n SER 89 Ca 0.00 0.45 -0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1hko n SER 89 Cb 0.00 -0.45 0.24 0.00 -0.75 0.00 0.00 64.21 63.25 1hko n SER 89 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1hko h LYS 90 N 0.00 0.01 0.00 -1.46 1.57 -1.96 -3.35 116.57 111.38 1hko h LYS 90 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1hko h LYS 90 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1hko h LYS 90 CO 0.00 0.53 -0.87 0.44 -0.57 0.00 0.00 179.45 178.98 1hko n ILE 91 N -3.92 0.00 -0.59 1.86 -5.35 0.95 -5.07 119.36 107.23 1hko n ILE 91 Ca -0.01 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.27 1hko n ILE 91 Cb 0.54 -0.72 -0.01 0.00 -1.74 0.00 0.00 39.64 37.71 1hko n ILE 91 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1hko n THR 92 N -2.00 0.66 -3.29 7.28 5.66 0.52 -4.90 114.28 118.21 1hko n THR 92 Ca 0.00 -0.22 -0.14 0.00 -3.05 0.00 0.00 64.05 60.64 1hko n THR 92 Cb 0.43 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.15 1hko n THR 92 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1hko s LYS 93 N -0.44 0.73 -0.06 1.09 2.47 -1.17 -4.91 119.74 117.46 1hko s LYS 93 Ca 0.27 -0.91 -0.10 0.00 -1.56 0.00 0.00 55.97 53.68 1hko s LYS 93 Cb -0.36 -0.60 -0.05 0.00 -1.46 0.00 0.00 37.83 35.35 1hko s LYS 93 CO 0.25 -1.23 0.40 -1.00 0.16 0.00 0.00 175.35 173.94 1hko h PRO 94 N 6.74 -0.33 -1.50 4.03 0.13 -1.92 -3.47 132.00 135.68 1hko h PRO 94 Ca 0.07 0.02 0.12 0.00 -0.87 0.00 0.00 66.00 65.35 1hko h PRO 94 Cb 1.07 0.07 -0.22 0.00 0.13 0.00 0.00 31.00 32.05 1hko h PRO 94 CO 0.18 -0.21 0.01 -1.54 -0.23 0.00 0.00 178.00 176.21 1hko s SER 95 N -5.17 -0.92 -0.05 1.44 1.04 -1.26 -5.16 113.70 103.62 1hko s SER 95 Ca -0.05 1.19 0.02 0.00 0.48 0.00 0.00 55.95 57.59 1hko s SER 95 Cb 0.00 2.02 -0.03 0.00 0.10 0.00 0.00 66.02 68.11 1hko s SER 95 CO 0.15 -0.18 -0.10 -1.83 0.98 0.00 0.00 173.24 172.27 1hko s GLU 96 N 2.72 2.62 -0.18 4.02 -1.05 -1.26 -5.11 118.70 120.46 1hko s GLU 96 Ca -0.03 -0.63 -0.29 0.00 -0.15 0.00 0.00 54.97 53.88 1hko s GLU 96 Cb -0.10 -2.49 0.12 0.00 -0.44 0.00 0.00 34.13 31.22 1hko s GLU 96 CO -0.18 0.64 0.96 -1.54 0.95 0.00 0.00 175.26 176.09 1hko s SER 97 N -0.84 -0.44 0.06 0.83 1.04 -1.26 -5.18 113.70 107.91 1hko s SER 97 Ca 0.12 0.61 -0.28 0.00 0.48 0.00 0.00 55.95 56.88 1hko s SER 97 Cb -0.11 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.64 1hko s SER 97 CO 0.02 -0.32 1.11 -0.51 0.98 0.00 0.00 173.24 174.51 1hko s ILE 98 N -0.69 0.00 0.00 -1.02 2.07 -1.26 -5.15 121.20 115.15 1hko s ILE 98 Ca -0.01 -0.41 0.00 0.00 -1.41 0.00 0.00 60.65 58.82 1hko s ILE 98 Cb -0.02 -1.89 0.00 0.00 0.13 0.00 0.00 42.46 40.68 1hko s ILE 98 CO 0.00 0.00 0.00 2.30 -1.91 0.00 0.00 174.94 175.33 1hko n ILE 99 N -0.45 0.00 -3.63 2.00 -5.35 -1.26 -4.90 119.36 105.78 1hko n ILE 99 Ca -0.07 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.26 1hko n ILE 99 Cb 0.62 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.44 1hko n ILE 99 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1hko s THR 100 N 0.00 0.00 -0.40 7.28 2.01 -1.26 -5.12 115.64 118.15 1hko s THR 100 Ca 0.00 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.67 1hko s THR 100 Cb 0.00 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.63 1hko s THR 100 CO 0.00 -0.02 1.20 -0.89 -0.69 0.00 0.00 174.62 174.22 1hko s THR 101 N -0.19 4.21 0.37 -0.82 2.01 -1.26 -4.99 115.64 114.98 1hko s THR 101 Ca -0.04 1.31 0.04 0.00 0.31 0.00 0.00 61.69 63.31 1hko s THR 101 Cb -0.03 -4.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 1hko s THR 101 CO 0.04 -0.75 0.14 0.27 -0.69 0.00 0.00 174.62 173.63 1hko s ILE 102 N 4.41 0.55 0.06 1.82 -5.25 -1.26 -5.05 121.20 116.48 1hko s ILE 102 Ca 0.51 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 58.17 1hko s ILE 102 Cb -0.11 -2.43 0.00 0.00 2.95 0.00 0.00 42.46 42.87 1hko s ILE 102 CO 0.26 0.00 0.00 -0.67 -1.79 0.00 0.00 174.94 172.74 1hko n ASP 103 N -1.19 -0.51 0.00 4.36 -0.08 -1.26 -5.34 116.55 112.53 1hko n ASP 103 Ca -0.03 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 1hko n ASP 103 Cb 0.65 0.75 0.00 0.00 2.34 0.00 0.00 41.12 44.86 1hko n ASP 103 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08