#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 6.21 0.04 2.98 4.22 -1.26 -5.04 114.94 122.09 1tap s ASN 2 Ca 0.00 -1.05 -0.30 0.00 -2.14 0.00 0.00 52.86 49.37 1tap s ASN 2 Cb 0.00 -2.33 -0.07 0.00 1.28 0.00 0.00 41.25 40.13 1tap s ASN 2 CO 0.00 -1.08 1.57 -0.60 -2.04 0.00 0.00 177.10 174.95 1tap s ARG 3 N 2.97 4.22 0.43 3.55 3.52 -1.26 -4.88 118.95 127.50 1tap s ARG 3 Ca 0.16 2.21 0.19 0.00 -0.13 0.00 0.00 55.73 58.16 1tap s ARG 3 Cb -0.20 -3.60 1.13 0.00 -1.56 0.00 0.00 34.95 30.73 1tap s ARG 3 CO 0.10 -0.68 1.84 -0.07 -0.81 0.00 0.00 175.30 175.68 1tap h LEU 4 N 8.52 0.37 -0.10 -0.88 3.38 -2.00 0.14 115.31 124.74 1tap h LEU 4 Ca -0.41 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1tap h LEU 4 Cb 1.19 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1tap h LEU 4 CO 0.92 0.13 0.07 0.00 0.09 0.00 0.00 178.44 179.66 1tap s ILE 6 N -2.91 0.61 -1.03 0.00 1.01 0.50 -0.43 121.20 118.96 1tap s ILE 6 Ca -0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.42 1tap s ILE 6 Cb 0.00 -0.70 0.14 0.00 0.01 0.00 0.00 42.46 41.92 1tap s ILE 6 CO 0.01 0.29 1.25 -0.75 0.00 0.00 0.00 174.94 175.74 1tap s LYS 7 N 1.67 3.78 -1.01 2.79 2.20 -1.26 -4.55 119.74 123.35 1tap s LYS 7 Ca 0.02 -2.04 -0.16 0.00 -0.36 0.00 0.00 55.97 53.43 1tap s LYS 7 Cb -0.13 -4.99 -0.09 0.00 -1.51 0.00 0.00 37.83 31.12 1tap s LYS 7 CO -0.05 -1.79 2.10 -0.35 -0.36 0.00 0.00 175.35 174.91 1tap n PRO 8 N 6.32 2.07 -0.21 4.03 -0.04 -1.26 -3.37 135.00 142.53 1tap n PRO 8 Ca 0.29 -1.94 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 1tap n PRO 8 Cb 0.47 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 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 5.95 0.00 -1.48 0.54 0.63 -1.26 -5.13 116.66 115.91 1tap n ARG 9 Ca 0.51 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 1tap n ARG 9 Cb 0.33 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.24 1tap n ARG 9 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1tap n ASP 10 N 0.00 -1.98 -4.73 6.15 -0.08 -1.22 -4.97 116.55 109.73 1tap n ASP 10 Ca 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.87 1tap n ASP 10 Cb 0.28 -0.99 -0.04 0.00 2.34 0.00 0.00 41.12 42.71 1tap n ASP 10 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1tap s TRP 11 N -0.05 3.73 -1.01 -0.67 -0.11 -1.26 -4.98 118.94 114.59 1tap s TRP 11 Ca 0.00 1.63 -0.04 0.00 1.22 0.00 0.00 56.10 58.91 1tap s TRP 11 Cb 0.00 -2.98 0.17 0.00 -1.50 0.00 0.00 33.47 29.17 1tap s TRP 11 CO 0.00 0.17 2.32 -0.89 -4.62 0.00 0.00 176.95 173.93 1tap n ILE 12 N 3.13 4.83 -1.42 5.86 2.08 -1.26 -4.92 119.36 127.66 1tap n ILE 12 Ca 0.01 -4.38 -0.39 0.00 0.56 0.00 0.00 62.75 58.55 1tap n ILE 12 Cb 0.50 -1.76 -0.02 0.00 -0.75 0.00 0.00 39.64 37.60 1tap n ILE 12 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1tap n ASP 13 N 0.91 8.19 -0.04 4.38 5.75 -1.26 -4.14 116.55 130.33 1tap n ASP 13 Ca 0.55 -2.65 -0.04 0.00 -0.01 0.00 0.00 54.79 52.64 1tap n ASP 13 Cb 0.32 -1.55 -0.01 0.00 -1.03 0.00 0.00 41.12 38.84 1tap n ASP 13 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1tap n GLU 14 N 3.68 0.23 -0.31 0.11 -0.58 -1.26 -4.96 120.64 117.55 1tap n GLU 14 Ca 0.74 0.17 -0.12 0.00 -0.42 0.00 0.00 57.16 57.54 1tap n GLU 14 Cb 0.25 -1.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.10 1tap n GLU 14 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1tap n ASP 16 N 0.64 0.25 -4.59 0.00 2.03 -1.26 -4.50 116.55 109.12 1tap n ASP 16 Ca 0.05 -1.22 -0.44 0.00 0.52 0.00 0.00 54.79 53.71 1tap n ASP 16 Cb -0.01 -0.14 -0.01 0.00 -0.72 0.00 0.00 41.12 40.25 1tap n ASP 16 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1tap n SER 17 N -3.00 1.28 0.00 1.67 3.41 -1.26 -1.47 113.62 114.25 1tap n SER 17 Ca 0.03 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 1tap n SER 17 Cb 0.12 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.76 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 -1.41 4.04 5.15 -1.26 -4.44 115.26 118.38 1tap n ASN 18 Ca 0.09 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.01 1tap n ASN 18 Cb 0.34 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.70 1tap n ASN 18 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1tap n GLU 19 N 0.00 1.92 0.00 1.20 4.71 -1.18 -4.29 120.64 123.00 1tap n GLU 19 Ca 0.00 -1.34 0.01 0.00 -0.01 0.00 0.00 57.16 55.82 1tap n GLU 19 Cb 0.00 -1.62 -0.01 0.00 -1.01 0.00 0.00 31.44 28.80 1tap n GLU 19 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1tap n GLY 20 N -0.06 0.21 7.00 0.62 0.00 -0.54 -4.24 105.19 108.17 1tap n GLY 20 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.80 2.09 3.99 -0.02 0.00 -1.26 -0.43 105.19 110.36 1tap n GLY 21 Ca 0.01 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 1tap n GLY 21 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tap s GLU 22 N 0.00 2.49 -0.16 1.61 -1.05 -1.26 -4.73 118.70 115.60 1tap s GLU 22 Ca 0.00 -1.55 -0.07 0.00 -0.15 0.00 0.00 54.97 53.20 1tap s GLU 22 Cb 0.00 -2.57 -0.04 0.00 -0.44 0.00 0.00 34.13 31.08 1tap s GLU 22 CO 0.00 -0.55 0.08 1.03 0.95 0.00 0.00 175.26 176.77 1tap s ARG 23 N -4.44 3.78 0.32 -4.83 0.52 -1.26 -2.32 118.95 110.72 1tap s ARG 23 Ca 0.54 -0.30 0.01 0.00 -0.52 0.00 0.00 55.73 55.46 1tap s ARG 23 Cb -0.06 -3.18 0.01 0.00 0.52 0.00 0.00 34.95 32.23 1tap s ARG 23 CO 0.33 0.43 0.05 0.00 0.02 0.00 0.00 175.30 176.12 1tap n ALA 24 N 3.07 0.31 -3.66 2.13 0.00 -0.30 -4.76 120.51 117.29 1tap n ALA 24 Ca -0.17 -1.40 -0.10 0.00 0.00 0.00 0.00 53.44 51.76 1tap n ALA 24 Cb 0.53 0.73 -0.11 0.00 0.00 0.00 0.00 19.45 20.60 1tap n ALA 24 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1tap s TYR 25 N -2.05 -0.64 0.09 0.00 1.51 -1.24 -2.50 117.35 112.52 1tap s TYR 25 Ca 0.03 1.29 0.02 0.00 -1.01 0.00 0.00 57.07 57.41 1tap s TYR 25 Cb -0.00 0.18 -0.04 0.00 -0.11 0.00 0.00 41.96 41.98 1tap s TYR 25 CO 0.02 -0.42 -0.07 -0.06 -1.11 0.00 0.00 175.55 173.92 1tap s PHE 26 N 2.42 0.87 0.53 2.71 0.08 -1.16 -4.59 117.98 118.84 1tap s PHE 26 Ca -0.01 -0.89 -0.22 0.00 0.12 0.00 0.00 56.93 55.92 1tap s PHE 26 Cb -0.12 -0.51 -0.05 0.00 -0.57 0.00 0.00 43.02 41.77 1tap s PHE 26 CO -0.11 -0.15 1.39 -2.13 -0.10 0.00 0.00 175.22 174.11 1tap n ARG 27 N 0.05 1.81 -4.42 0.44 0.00 0.43 -0.21 116.66 114.76 1tap n ARG 27 Ca -0.13 0.66 -0.26 0.00 -0.00 0.00 0.00 57.85 58.12 1tap n ARG 27 Cb 0.60 -2.60 -0.11 0.00 0.00 0.00 0.00 32.46 30.35 1tap n ARG 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1tap s ASN 28 N -0.83 3.52 -0.40 6.15 2.20 -1.08 -4.43 114.94 120.07 1tap s ASN 28 Ca 0.70 -0.88 -0.05 0.00 -0.94 0.00 0.00 52.86 51.70 1tap s ASN 28 Cb -0.42 -0.30 -0.04 0.00 -2.00 0.00 0.00 41.25 38.50 1tap s ASN 28 CO 0.50 0.10 3.01 0.61 -2.94 0.00 0.00 177.10 178.39 1tap n GLY 29 N 0.09 4.00 0.00 0.45 0.00 -1.26 -4.27 105.19 104.20 1tap n GLY 29 Ca -0.11 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 1.45 0.00 0.00 1.61 4.76 -1.26 -5.06 118.16 119.66 1tap n LYS 30 Ca 0.49 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 1tap n LYS 30 Cb 0.63 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 1tap n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1tap n GLY 31 N 4.75 0.44 0.00 0.72 0.00 -1.26 -5.13 105.19 104.71 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 4.87 3.60 -0.02 0.00 -1.26 -5.01 105.19 107.37 1tap n GLY 32 Ca 0.00 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 1tap n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tap n ASP 34 N 0.10 0.43 -3.82 0.00 9.92 0.71 -4.69 116.55 119.19 1tap n ASP 34 Ca -0.11 -1.65 -0.09 0.00 -0.53 0.00 0.00 54.79 52.40 1tap n ASP 34 Cb 0.55 -0.92 -0.05 0.00 -0.64 0.00 0.00 41.12 40.06 1tap n ASP 34 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1tap s SER 35 N -5.66 -0.16 -0.21 -2.24 0.15 -1.26 -3.01 113.70 101.30 1tap s SER 35 Ca 0.73 -0.62 -0.30 0.00 0.70 0.00 0.00 55.95 56.46 1tap s SER 35 Cb -0.02 0.54 0.16 0.00 -1.71 0.00 0.00 66.02 64.98 1tap s SER 35 CO 0.51 -1.02 1.16 0.72 1.20 0.00 0.00 173.24 175.80 1tap s PHE 36 N -3.91 -0.22 0.29 3.44 -0.12 -1.04 -5.00 117.98 111.42 1tap s PHE 36 Ca 0.12 0.37 -0.29 0.00 -0.05 0.00 0.00 56.93 57.08 1tap s PHE 36 Cb 0.00 0.47 -0.10 0.00 -0.63 0.00 0.00 43.02 42.77 1tap s PHE 36 CO -0.01 -0.21 1.21 -1.58 -0.05 0.00 0.00 175.22 174.58 1tap s TRP 37 N -1.12 3.33 -0.58 3.49 0.52 -1.26 -1.15 118.94 122.18 1tap s TRP 37 Ca 0.03 1.53 0.24 0.00 0.02 0.00 0.00 56.10 57.93 1tap s TRP 37 Cb -0.01 -3.48 0.55 0.00 -1.15 0.00 0.00 33.47 29.39 1tap s TRP 37 CO -0.03 -1.23 1.68 0.82 0.02 0.00 0.00 176.95 178.21 1tap h ILE 38 N 3.16 0.00 -0.90 2.03 2.04 -0.79 -3.43 117.51 119.62 1tap h ILE 38 Ca -0.47 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1tap h ILE 38 Cb 1.22 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1tap h ILE 38 CO 0.68 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 178.60 1tap h PRO 40 N 0.31 0.11 -0.84 0.00 0.13 -1.74 -2.87 132.00 127.10 1tap h PRO 40 Ca 0.00 -0.02 0.10 0.00 -0.87 0.00 0.00 66.00 65.21 1tap h PRO 40 Cb 0.06 -0.02 -0.12 0.00 0.13 0.00 0.00 31.00 31.05 1tap h PRO 40 CO 0.00 0.27 -0.50 1.49 -0.23 0.00 0.00 178.00 179.03 1tap h GLU 41 N 0.10 -0.09 -1.65 0.86 4.57 -1.92 -3.29 114.58 113.17 1tap h GLU 41 Ca 0.02 0.01 -0.64 0.00 -1.18 0.00 0.00 59.36 57.57 1tap h GLU 41 Cb 0.33 0.02 -0.38 0.00 -0.16 0.00 0.00 28.75 28.57 1tap h GLU 41 CO 0.02 -0.06 -0.22 -3.47 -1.18 0.00 0.00 179.01 174.10 1tap n ASP 42 N -5.36 5.51 -0.08 1.04 2.03 -1.08 -4.84 116.55 113.78 1tap n ASP 42 Ca 0.03 -3.75 0.19 0.00 0.52 0.00 0.00 54.79 51.78 1tap n ASP 42 Cb 0.32 -0.63 0.62 0.00 -0.72 0.00 0.00 41.12 40.71 1tap n ASP 42 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1tap h HIS 43 N 2.69 0.19 -5.80 -0.67 3.86 -1.70 -3.45 115.15 110.27 1tap h HIS 43 Ca 0.38 0.01 -0.43 0.00 -1.16 0.00 0.00 60.37 59.16 1tap h HIS 43 Cb 0.67 -0.06 0.03 0.00 1.06 0.00 0.00 27.41 29.11 1tap h HIS 43 CO 0.92 0.07 -0.69 -2.37 0.86 0.00 0.00 177.93 176.72 1tap n THR 44 N -4.41 -2.22 -3.98 2.45 5.66 -1.26 0.17 114.28 110.69 1tap n THR 44 Ca 0.12 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.81 1tap n THR 44 Cb 0.60 -3.20 0.02 0.00 -1.55 0.00 0.00 70.33 66.19 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 -1.72 -0.49 3.12 1.09 0.00 -1.26 -4.82 105.19 101.10 1tap n GLY 45 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1tap n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tap n ALA 46 N -4.63 4.66 -0.15 4.61 0.00 0.12 -4.55 120.51 120.58 1tap n ALA 46 Ca 0.05 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.53 1tap n ALA 46 Cb 0.52 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.52 1tap n ALA 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1tap n ASP 47 N 6.58 0.00 0.00 0.00 2.03 -1.26 -4.95 116.55 118.96 1tap n ASP 47 Ca 0.48 0.67 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1tap n ASP 47 Cb 0.41 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1tap n ASP 47 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1tap n TYR 48 N -1.78 0.00 -4.41 -0.67 4.01 -1.26 -4.62 117.16 108.43 1tap n TYR 48 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 1tap n TYR 48 Cb 0.00 0.06 -0.11 0.00 -0.31 0.00 0.00 39.34 38.98 1tap n TYR 48 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1tap s TYR 49 N 0.00 3.07 -0.28 -0.72 2.02 -1.26 -5.03 117.35 115.14 1tap s TYR 49 Ca 0.00 -0.06 0.16 0.00 -0.37 0.00 0.00 57.07 56.80 1tap s TYR 49 Cb 0.00 -1.87 -0.22 0.00 -0.40 0.00 0.00 41.96 39.48 1tap s TYR 49 CO 0.00 0.21 0.46 -1.13 -1.57 0.00 0.00 175.55 173.52 1tap n SER 50 N 2.85 1.13 -4.36 2.29 3.41 -1.26 -3.65 113.62 114.03 1tap n SER 50 Ca -0.18 -0.32 -0.23 0.00 -0.26 0.00 0.00 58.87 57.88 1tap n SER 50 Cb 0.53 1.46 -0.10 0.00 -0.26 0.00 0.00 64.21 65.84 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 -3.31 2.55 0.03 4.04 1.04 -1.26 -4.89 113.70 111.89 1tap s SER 51 Ca -0.01 -1.49 -0.25 0.00 0.48 0.00 0.00 55.95 54.68 1tap s SER 51 Cb 0.11 0.14 -0.17 0.00 0.10 0.00 0.00 66.02 66.19 1tap s SER 51 CO 0.65 -0.73 1.44 0.22 0.98 0.00 0.00 173.24 175.80 1tap h TYR 52 N 1.98 -0.14 -0.62 5.02 5.03 -1.95 -2.97 116.97 123.32 1tap h TYR 52 Ca -0.39 -0.00 0.13 0.00 2.58 0.00 0.00 58.73 61.05 1tap h TYR 52 Cb 1.26 0.05 -0.04 0.00 1.55 0.00 0.00 36.73 39.55 1tap h TYR 52 CO 0.91 0.13 0.43 -0.09 -1.32 0.00 0.00 178.16 178.21 1tap h ARG 53 N -0.41 0.27 0.58 1.82 2.43 -1.98 -0.14 114.38 116.95 1tap h ARG 53 Ca -0.02 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1tap h ARG 53 Cb 0.34 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1tap h ARG 53 CO 0.03 0.18 -0.43 -0.44 -1.51 0.00 0.00 179.97 177.80 1tap h ASP 54 N 0.28 -1.13 -0.65 -3.80 3.32 -1.93 0.41 116.42 112.92 1tap h ASP 54 Ca 0.30 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.50 1tap h ASP 54 Cb 0.79 0.35 -0.06 0.00 0.22 0.00 0.00 39.33 40.62 1tap h ASP 54 CO -0.07 -0.62 0.33 0.00 -1.72 0.00 0.00 179.24 177.16 1tap h PHE 56 N 0.59 -0.87 0.00 0.00 3.57 -0.86 -1.31 116.94 118.05 1tap h PHE 56 Ca 0.31 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.73 1tap h PHE 56 Cb 0.28 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1tap h PHE 56 CO -0.11 -0.29 -0.53 -2.95 -2.23 0.00 0.00 178.31 172.21 1tap h ASN 57 N -0.31 0.00 1.11 0.41 7.08 -0.48 0.53 115.58 123.93 1tap h ASN 57 Ca 0.02 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.22 1tap h ASN 57 Cb 0.36 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.60 1tap h ASN 57 CO -0.24 0.53 -0.07 0.00 -2.08 0.00 0.00 177.43 175.56 1tap h ALA 58 N 1.47 1.00 0.00 4.14 0.00 -0.51 -3.39 119.26 121.98 1tap h ALA 58 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tap h ALA 58 Cb 1.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1tap h ALA 58 CO 0.07 0.09 -0.05 0.00 0.00 0.00 0.00 179.25 179.36