#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tap s ASN 2 N 0.00 6.18 -0.14 2.98 3.84 -1.26 -4.95 114.94 121.59 1tap s ASN 2 Ca 0.00 -1.91 -0.29 0.00 0.21 0.00 0.00 52.86 50.87 1tap s ASN 2 Cb 0.00 -2.58 -0.01 0.00 -0.55 0.00 0.00 41.25 38.11 1tap s ASN 2 CO 0.00 -1.84 1.17 -0.60 -2.79 0.00 0.00 177.10 173.04 1tap s ARG 3 N 5.17 4.29 0.00 0.43 6.06 -1.25 -4.91 118.95 128.74 1tap s ARG 3 Ca 0.57 1.57 0.00 0.00 -2.50 0.00 0.00 55.73 55.38 1tap s ARG 3 Cb 0.01 -3.66 0.00 0.00 0.06 0.00 0.00 34.95 31.36 1tap s ARG 3 CO 0.05 -0.58 0.43 1.28 -2.50 0.00 0.00 175.30 173.98 1tap n LEU 4 N 6.00 0.43 -0.00 -0.88 4.77 -1.26 -0.19 117.00 125.86 1tap n LEU 4 Ca 0.12 -0.21 0.03 0.00 -0.03 0.00 0.00 56.01 55.92 1tap n LEU 4 Cb 0.46 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1tap n LEU 4 CO 0.54 0.11 -0.24 0.00 -1.33 0.00 0.00 177.39 176.47 1tap s ILE 6 N -1.87 0.46 -0.51 0.00 1.01 0.73 0.30 121.20 121.31 1tap s ILE 6 Ca 0.00 -1.64 -0.22 0.00 0.00 0.00 0.00 60.65 58.79 1tap s ILE 6 Cb 0.04 -1.34 0.04 0.00 0.01 0.00 0.00 42.46 41.21 1tap s ILE 6 CO 0.23 -0.87 0.81 -0.75 0.00 0.00 0.00 174.94 174.35 1tap s LYS 7 N 1.22 3.29 -1.39 2.79 2.20 -1.25 -3.80 119.74 122.80 1tap s LYS 7 Ca 0.15 -0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 55.23 1tap s LYS 7 Cb -0.21 -4.03 -0.01 0.00 -1.51 0.00 0.00 37.83 32.07 1tap s LYS 7 CO -0.11 -1.30 2.32 -0.35 -0.36 0.00 0.00 175.35 175.55 1tap n PRO 8 N 6.89 2.83 -2.20 4.03 -0.04 -1.26 -4.13 135.00 141.12 1tap n PRO 8 Ca -0.00 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1tap n PRO 8 Cb 0.47 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 1tap n PRO 8 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1tap n ARG 9 N 5.69 0.00 -0.34 0.54 3.00 -1.26 -4.96 116.66 119.33 1tap n ARG 9 Ca 0.56 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 58.49 1tap n ARG 9 Cb 0.35 -2.98 0.17 0.00 0.00 0.00 0.00 32.46 30.00 1tap n ARG 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1tap n ASP 10 N 1.74 1.99 -4.06 6.15 8.00 -1.26 -5.02 116.55 124.08 1tap n ASP 10 Ca 0.00 -3.42 -0.30 0.00 0.71 0.00 0.00 54.79 51.78 1tap n ASP 10 Cb 0.49 -0.47 -0.16 0.00 -0.02 0.00 0.00 41.12 40.96 1tap n ASP 10 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1tap s TRP 11 N -2.93 2.26 -1.25 1.24 -0.11 -1.26 -5.03 118.94 111.85 1tap s TRP 11 Ca 0.34 -1.21 -0.07 0.00 1.22 0.00 0.00 56.10 56.37 1tap s TRP 11 Cb 0.32 -1.62 0.19 0.00 -1.50 0.00 0.00 33.47 30.85 1tap s TRP 11 CO -0.02 -0.63 1.91 -0.89 -4.62 0.00 0.00 176.95 172.71 1tap n ILE 12 N 4.50 4.75 -1.90 5.86 2.08 -1.26 -4.89 119.36 128.50 1tap n ILE 12 Ca -0.18 -4.68 -0.42 0.00 0.56 0.00 0.00 62.75 58.02 1tap n ILE 12 Cb 0.51 -2.23 -0.01 0.00 -0.75 0.00 0.00 39.64 37.16 1tap n ILE 12 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1tap n ASP 13 N 2.89 4.00 -0.01 4.38 2.03 -1.26 -4.35 116.55 124.23 1tap n ASP 13 Ca 0.42 -2.84 0.09 0.00 0.52 0.00 0.00 54.79 52.98 1tap n ASP 13 Cb 0.33 -1.64 -0.14 0.00 -0.72 0.00 0.00 41.12 38.95 1tap n ASP 13 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1tap n GLU 14 N 6.80 0.59 -0.66 -0.67 0.28 -1.26 -4.98 120.64 120.74 1tap n GLU 14 Ca 0.51 -0.15 -0.31 0.00 -0.16 0.00 0.00 57.16 57.04 1tap n GLU 14 Cb 0.41 -1.42 0.18 0.00 1.43 0.00 0.00 31.44 32.04 1tap n GLU 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1tap s ASP 16 N -2.12 2.61 0.63 0.00 1.01 -1.26 -4.82 116.67 112.73 1tap s ASP 16 Ca 0.60 -1.43 -0.18 0.00 0.71 0.00 0.00 52.55 52.26 1tap s ASP 16 Cb -0.19 -0.01 -0.03 0.00 1.01 0.00 0.00 42.92 43.70 1tap s ASP 16 CO 0.65 -0.65 0.97 -1.54 0.21 0.00 0.00 175.17 174.82 1tap n SER 17 N -0.81 0.72 0.00 0.27 3.41 -1.26 -2.31 113.62 113.63 1tap n SER 17 Ca -0.04 0.77 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 1tap n SER 17 Cb 0.66 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1tap n SER 17 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tap n ASN 18 N -1.03 0.00 -2.04 4.04 5.15 -1.26 -4.83 115.26 115.29 1tap n ASN 18 Ca 0.14 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.01 1tap n ASN 18 Cb 0.48 -0.03 -0.16 0.00 -0.53 0.00 0.00 39.78 39.54 1tap n ASN 18 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1tap n GLU 19 N -0.66 1.83 0.00 1.20 4.07 -0.98 -4.92 120.64 121.19 1tap n GLU 19 Ca 0.00 -0.91 0.00 0.00 -0.06 0.00 0.00 57.16 56.19 1tap n GLU 19 Cb 0.00 -1.95 0.00 0.00 -0.06 0.00 0.00 31.44 29.43 1tap n GLU 19 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1tap n GLY 20 N 2.53 1.13 1.37 8.31 0.00 -1.26 -4.74 105.19 112.53 1tap n GLY 20 Ca 0.39 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1tap n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tap n GLY 21 N 0.00 -4.63 3.84 -0.02 0.00 -1.26 -4.69 105.19 98.42 1tap n GLY 21 Ca 0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1tap n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tap s GLU 22 N -1.89 4.08 0.01 1.61 2.12 -1.26 -4.78 118.70 118.59 1tap s GLU 22 Ca 0.00 0.93 -0.29 0.00 0.36 0.00 0.00 54.97 55.97 1tap s GLU 22 Cb 0.00 -2.24 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 1tap s GLU 22 CO 0.00 -0.04 0.92 0.50 -0.54 0.00 0.00 175.26 176.09 1tap s ARG 23 N -3.40 4.55 0.35 4.30 3.52 -1.26 -2.00 118.95 125.02 1tap s ARG 23 Ca 0.59 1.31 0.09 0.00 -0.13 0.00 0.00 55.73 57.58 1tap s ARG 23 Cb -0.10 -3.44 -0.06 0.00 -1.56 0.00 0.00 34.95 29.79 1tap s ARG 23 CO 0.20 0.03 -0.02 0.00 -0.81 0.00 0.00 175.30 174.70 1tap s ALA 24 N 0.77 3.14 -0.19 6.12 0.00 -0.30 -4.95 121.76 126.34 1tap s ALA 24 Ca 0.48 -2.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 1tap s ALA 24 Cb -0.21 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1tap s ALA 24 CO 0.26 0.04 -0.14 0.71 0.00 0.00 0.00 175.76 176.63 1tap s TYR 25 N -2.58 2.83 0.11 0.00 1.51 -1.12 -2.32 117.35 115.79 1tap s TYR 25 Ca 0.34 -1.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.09 1tap s TYR 25 Cb 0.02 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 1tap s TYR 25 CO 0.18 -0.68 0.09 1.19 -1.11 0.00 0.00 175.55 175.23 1tap n PHE 26 N 4.60 -0.27 -3.64 2.71 3.01 -1.26 -4.21 117.46 118.40 1tap n PHE 26 Ca -0.20 -0.93 -0.07 0.00 1.01 0.00 0.00 57.45 57.27 1tap n PHE 26 Cb 0.51 0.10 -0.07 0.00 -0.01 0.00 0.00 39.48 40.00 1tap n PHE 26 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1tap s ARG 27 N -2.45 0.70 0.41 -1.08 1.04 0.15 -0.89 118.95 116.83 1tap s ARG 27 Ca 0.13 1.25 0.03 0.00 -1.04 0.00 0.00 55.73 56.10 1tap s ARG 27 Cb 0.01 0.20 -0.03 0.00 -2.04 0.00 0.00 34.95 33.08 1tap s ARG 27 CO 0.09 -0.15 0.09 0.54 -0.04 0.00 0.00 175.30 175.83 1tap s ASN 28 N 1.74 2.93 0.00 -2.89 2.20 -1.18 -4.43 114.94 113.31 1tap s ASN 28 Ca -0.10 -1.60 0.00 0.00 -0.94 0.00 0.00 52.86 50.22 1tap s ASN 28 Cb -0.06 0.36 0.00 0.00 -2.00 0.00 0.00 41.25 39.56 1tap s ASN 28 CO -0.20 -0.84 1.13 0.61 -2.94 0.00 0.00 177.10 174.86 1tap n GLY 29 N -0.92 1.78 0.00 0.45 0.00 -1.26 -4.12 105.19 101.12 1tap n GLY 29 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1tap n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tap n LYS 30 N 1.07 0.00 0.00 1.61 5.02 -1.26 -5.00 118.16 119.60 1tap n LYS 30 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1tap n LYS 30 Cb 0.39 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 1tap n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tap n GLY 31 N 2.92 0.31 0.00 0.72 0.00 -1.26 -5.14 105.19 102.73 1tap n GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1tap n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tap n GLY 32 N 0.00 1.82 3.73 -0.02 0.00 -1.26 -5.02 105.19 104.44 1tap n GLY 32 Ca 0.00 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1tap n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tap s ASP 34 N 0.26 3.91 0.55 0.00 -1.08 -0.06 -4.94 116.67 115.31 1tap s ASP 34 Ca 0.45 -3.31 -0.20 0.00 -0.52 0.00 0.00 52.55 48.97 1tap s ASP 34 Cb -0.22 -1.30 -0.05 0.00 -1.46 0.00 0.00 42.92 39.89 1tap s ASP 34 CO 0.27 -0.16 1.18 -0.44 0.52 0.00 0.00 175.17 176.53 1tap s SER 35 N -0.60 5.58 0.12 -0.34 0.01 -1.26 -4.25 113.70 112.96 1tap s SER 35 Ca 0.23 2.32 -0.17 0.00 1.31 0.00 0.00 55.95 59.65 1tap s SER 35 Cb -0.11 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 63.56 1tap s SER 35 CO -0.11 -1.33 0.42 0.72 0.41 0.00 0.00 173.24 173.35 1tap s PHE 36 N -1.63 -0.23 -0.11 2.43 -0.12 -0.98 -4.98 117.98 112.37 1tap s PHE 36 Ca 0.73 -0.07 -0.30 0.00 -0.05 0.00 0.00 56.93 57.24 1tap s PHE 36 Cb -0.28 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 1tap s PHE 36 CO 0.32 -0.71 1.36 -1.58 -0.05 0.00 0.00 175.22 174.56 1tap s TRP 37 N -3.75 2.69 -0.68 3.49 0.52 -1.26 -1.15 118.94 118.80 1tap s TRP 37 Ca 0.02 0.82 -0.26 0.00 0.02 0.00 0.00 56.10 56.71 1tap s TRP 37 Cb 0.02 -3.61 -0.02 0.00 -1.15 0.00 0.00 33.47 28.71 1tap s TRP 37 CO -0.12 -2.24 1.84 0.42 0.02 0.00 0.00 176.95 176.87 1tap s ILE 38 N 3.33 3.40 0.61 2.03 1.01 -0.85 -4.70 121.20 126.03 1tap s ILE 38 Ca 0.60 0.10 -0.19 0.00 0.00 0.00 0.00 60.65 61.15 1tap s ILE 38 Cb -0.26 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1tap s ILE 38 CO 0.20 -0.98 1.32 0.00 0.00 0.00 0.00 174.94 175.48 1tap h PRO 40 N 0.89 0.52 -0.83 0.00 0.11 -1.92 0.22 132.00 130.99 1tap h PRO 40 Ca -0.51 -0.03 0.20 0.00 0.11 0.00 0.00 66.00 65.77 1tap h PRO 40 Cb 1.32 -0.12 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 1tap h PRO 40 CO 0.55 0.34 0.20 1.49 -0.21 0.00 0.00 178.00 180.37 1tap h GLU 41 N 0.53 0.23 -1.87 1.05 4.57 -1.97 -2.56 114.58 114.56 1tap h GLU 41 Ca 0.45 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.49 1tap h GLU 41 Cb 0.68 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 1tap h GLU 41 CO -0.39 0.15 0.09 -0.25 -1.18 0.00 0.00 179.01 177.42 1tap n ASP 42 N -5.20 5.69 -4.57 1.04 9.92 0.78 -4.70 116.55 119.50 1tap n ASP 42 Ca 0.18 -2.63 -0.29 0.00 -0.53 0.00 0.00 54.79 51.53 1tap n ASP 42 Cb 0.59 -1.15 -0.05 0.00 -0.64 0.00 0.00 41.12 39.87 1tap n ASP 42 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1tap s HIS 43 N -0.45 1.98 -0.52 1.24 3.76 -0.97 -4.72 115.29 115.61 1tap s HIS 43 Ca 0.18 0.36 0.16 0.00 -0.15 0.00 0.00 55.06 55.60 1tap s HIS 43 Cb 0.12 -4.07 0.67 0.00 1.11 0.00 0.00 32.58 30.40 1tap s HIS 43 CO -0.01 -1.38 1.58 -2.37 -0.85 0.00 0.00 174.74 171.71 1tap n THR 44 N 7.72 2.23 -3.53 1.30 5.66 -1.26 -4.90 114.28 121.50 1tap n THR 44 Ca 0.44 -1.46 -0.20 0.00 -3.05 0.00 0.00 64.05 59.77 1tap n THR 44 Cb 0.47 -0.10 0.08 0.00 -1.55 0.00 0.00 70.33 69.23 1tap n THR 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tap n GLY 45 N 0.41 -0.43 3.24 1.09 0.00 -1.26 -4.96 105.19 103.27 1tap n GLY 45 Ca 0.24 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 1tap n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tap s ALA 46 N -3.36 3.48 -0.63 4.61 0.00 -1.26 -4.87 121.76 119.73 1tap s ALA 46 Ca 0.24 -2.56 0.25 0.00 0.00 0.00 0.00 51.96 49.88 1tap s ALA 46 Cb -0.11 -2.97 0.47 0.00 0.00 0.00 0.00 23.12 20.51 1tap s ALA 46 CO 0.74 -1.95 1.47 0.22 0.00 0.00 0.00 175.76 176.24 1tap h ASP 47 N 8.56 0.00 -3.21 0.00 3.58 -1.96 -3.51 116.42 119.88 1tap h ASP 47 Ca -0.23 -0.11 0.12 0.00 0.42 0.00 0.00 57.03 57.23 1tap h ASP 47 Cb 1.08 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.06 1tap h ASP 47 CO 0.91 0.06 -0.87 0.00 -2.88 0.00 0.00 179.24 176.46 1tap n TYR 48 N -2.28 -3.20 -2.38 0.28 0.18 -1.26 -4.91 117.16 103.60 1tap n TYR 48 Ca 0.04 1.75 -0.40 0.00 1.88 0.00 0.00 57.90 61.17 1tap n TYR 48 Cb 0.45 -2.78 -0.03 0.00 -0.38 0.00 0.00 39.34 36.60 1tap n TYR 48 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1tap s TYR 49 N -4.84 3.36 -0.59 -3.48 1.51 -1.01 -4.99 117.35 107.31 1tap s TYR 49 Ca 0.00 1.62 0.08 0.00 -1.01 0.00 0.00 57.07 57.76 1tap s TYR 49 Cb 0.00 -3.37 -0.04 0.00 -0.11 0.00 0.00 41.96 38.44 1tap s TYR 49 CO 0.00 -0.94 0.47 -1.13 -1.11 0.00 0.00 175.55 172.83 1tap n SER 50 N 0.80 0.77 -4.06 2.29 3.41 -1.26 -2.81 113.62 112.75 1tap n SER 50 Ca 0.01 -0.89 -0.11 0.00 -0.26 0.00 0.00 58.87 57.62 1tap n SER 50 Cb 0.45 0.71 -0.11 0.00 -0.26 0.00 0.00 64.21 65.00 1tap n SER 50 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1tap s SER 51 N -1.46 0.72 0.05 4.04 1.04 -1.26 -4.89 113.70 111.93 1tap s SER 51 Ca 0.05 -0.66 -0.32 0.00 0.48 0.00 0.00 55.95 55.50 1tap s SER 51 Cb 0.06 0.08 -0.18 0.00 0.10 0.00 0.00 66.02 66.08 1tap s SER 51 CO 0.26 -0.31 1.43 0.22 0.98 0.00 0.00 173.24 175.82 1tap h TYR 52 N 4.14 -0.96 -0.80 5.02 5.03 -1.97 -3.12 116.97 124.30 1tap h TYR 52 Ca -0.35 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 60.99 1tap h TYR 52 Cb 1.19 0.32 -0.05 0.00 1.55 0.00 0.00 36.73 39.74 1tap h TYR 52 CO 0.63 -0.58 0.52 -0.09 -1.32 0.00 0.00 178.16 177.32 1tap h ARG 53 N -1.15 0.90 0.04 1.82 2.43 -1.98 0.08 114.38 116.51 1tap h ARG 53 Ca -0.11 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1tap h ARG 53 Cb 0.81 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 1tap h ARG 53 CO 0.17 0.60 -0.37 -0.44 -1.51 0.00 0.00 179.97 178.42 1tap h ASP 54 N 0.93 -1.11 -0.99 -3.80 5.19 -1.98 0.16 116.42 114.82 1tap h ASP 54 Ca 0.33 0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.93 1tap h ASP 54 Cb 0.13 0.43 -0.06 0.00 0.18 0.00 0.00 39.33 40.02 1tap h ASP 54 CO -0.11 -0.43 0.64 0.00 -3.12 0.00 0.00 179.24 176.22 1tap h PHE 56 N 1.20 -1.03 -0.17 0.00 3.57 -0.13 -2.31 116.94 118.08 1tap h PHE 56 Ca 0.41 -0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.69 1tap h PHE 56 Cb 0.08 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1tap h PHE 56 CO -0.00 -0.64 -0.67 -2.95 -2.23 0.00 0.00 178.31 171.81 1tap h ASN 57 N -1.20 0.76 -0.06 0.41 7.08 -0.65 0.14 115.58 122.07 1tap h ASN 57 Ca -0.11 -0.46 0.00 0.00 -3.08 0.00 0.00 56.30 52.64 1tap h ASN 57 Cb 0.86 -0.22 0.00 0.00 -2.08 0.00 0.00 38.32 36.87 1tap h ASN 57 CO 0.19 1.23 0.00 0.00 -2.08 0.00 0.00 177.43 176.76 1tap n ALA 58 N -2.56 2.58 0.00 4.14 0.00 0.25 -4.11 120.51 120.82 1tap n ALA 58 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1tap n ALA 58 Cb 0.68 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1tap n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50