#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aal n PRO 2 N 0.00 2.58 0.26 -0.14 -0.02 -1.26 -4.88 135.00 131.54 1aal n PRO 2 Ca 0.00 0.91 0.12 0.00 -2.02 0.00 0.00 63.50 62.50 1aal n PRO 2 Cb 0.00 -2.62 0.73 0.00 -0.02 0.00 0.00 33.50 31.59 1aal n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1aal h ASP 3 N 3.23 0.00 0.26 2.55 3.32 -2.02 -1.21 116.42 122.55 1aal h ASP 3 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1aal h ASP 3 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1aal h ASP 3 CO 0.67 0.10 0.00 2.19 -1.72 0.00 0.00 179.24 180.47 1aal h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.99 -1.39 116.94 112.96 1aal h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1aal h PHE 4 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.40 1aal h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1aal n LEU 6 N -2.50 1.04 -4.81 0.00 4.77 -0.52 -4.35 117.00 110.63 1aal n LEU 6 Ca 0.01 -0.27 -0.34 0.00 -0.03 0.00 0.00 56.01 55.37 1aal n LEU 6 Cb 0.20 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1aal n LEU 6 CO 0.20 0.20 0.67 -1.61 -1.33 0.00 0.00 177.39 175.51 1aal s GLU 7 N -2.58 4.23 0.79 3.23 0.41 -1.04 -4.91 118.70 118.82 1aal s GLU 7 Ca 0.22 1.24 -0.11 0.00 -0.41 0.00 0.00 54.97 55.90 1aal s GLU 7 Cb 0.19 -2.32 0.07 0.00 -1.78 0.00 0.00 34.13 30.28 1aal s GLU 7 CO 0.56 -0.04 1.10 -2.14 -0.49 0.00 0.00 175.26 174.25 1aal s PRO 8 N -2.90 2.09 0.44 0.39 0.02 -1.26 -4.94 135.00 128.84 1aal s PRO 8 Ca 0.60 1.25 -0.23 0.00 0.02 0.00 0.00 61.00 62.64 1aal s PRO 8 Cb -0.13 -1.87 -0.08 0.00 0.02 0.00 0.00 34.50 32.43 1aal s PRO 8 CO 0.18 -1.78 1.09 -1.25 -0.33 0.00 0.00 177.00 174.90 1aal s PRO 9 N -4.80 3.93 -0.21 5.54 0.04 -1.26 -4.95 135.00 133.29 1aal s PRO 9 Ca 0.63 1.57 0.01 0.00 0.04 0.00 0.00 61.00 63.25 1aal s PRO 9 Cb -0.18 -2.39 0.04 0.00 0.04 0.00 0.00 34.50 32.01 1aal s PRO 9 CO 0.55 -0.35 -0.12 -0.47 0.04 0.00 0.00 177.00 176.65 1aal s TYR 10 N -1.69 2.69 0.16 0.56 5.04 -1.26 -4.99 117.35 117.86 1aal s TYR 10 Ca 0.62 -1.80 -0.12 0.00 -2.44 0.00 0.00 57.07 53.33 1aal s TYR 10 Cb -0.23 -1.75 0.03 0.00 0.35 0.00 0.00 41.96 40.36 1aal s TYR 10 CO 0.28 -0.79 1.62 1.15 -1.34 0.00 0.00 175.55 176.47 1aal h THR 11 N 6.44 1.26 0.00 4.34 2.02 -1.96 -3.44 112.91 121.57 1aal h THR 11 Ca -0.28 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 65.87 1aal h THR 11 Cb 1.09 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1aal h THR 11 CO 0.49 0.37 0.00 0.61 0.37 0.00 0.00 175.52 177.36 1aal n GLY 12 N -0.45 -3.01 0.13 2.16 0.00 -1.26 -1.14 105.19 101.61 1aal n GLY 12 Ca 0.01 -1.76 0.03 0.00 0.00 0.00 0.00 46.02 44.31 1aal n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aal h PRO 13 N 0.00 0.00 -7.33 1.61 0.13 -1.93 -3.44 132.00 121.05 1aal h PRO 13 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1aal h PRO 13 Cb 0.00 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.27 1aal h PRO 13 CO 0.00 0.32 0.27 0.00 -0.23 0.00 0.00 178.00 178.36 1aal n LYS 15 N -3.80 2.81 -1.23 0.00 4.76 -1.22 -4.34 118.16 115.13 1aal n LYS 15 Ca 0.08 -2.34 -0.30 0.00 -2.87 0.00 0.00 58.31 52.87 1aal n LYS 15 Cb 0.54 -1.41 0.12 0.00 -1.84 0.00 0.00 35.03 32.45 1aal n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aal s ALA 16 N -1.00 1.74 -0.49 7.82 0.00 -0.45 -5.01 121.76 124.37 1aal s ALA 16 Ca 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.32 1aal s ALA 16 Cb 0.18 -3.21 0.13 0.00 0.00 0.00 0.00 23.12 20.23 1aal s ALA 16 CO 0.24 -2.19 0.26 1.03 0.00 0.00 0.00 175.76 175.10 1aal s ARG 17 N -4.93 2.08 -0.08 0.00 0.52 -1.26 -4.01 118.95 111.26 1aal s ARG 17 Ca 0.63 -2.24 0.04 0.00 -0.52 0.00 0.00 55.73 53.64 1aal s ARG 17 Cb -0.18 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.79 1aal s ARG 17 CO 0.57 -1.09 -0.21 0.42 0.02 0.00 0.00 175.30 175.00 1aal s ILE 18 N 0.39 1.83 -0.11 1.52 1.01 -0.73 -4.96 121.20 120.14 1aal s ILE 18 Ca 0.13 -0.89 -0.22 0.00 0.00 0.00 0.00 60.65 59.67 1aal s ILE 18 Cb -0.22 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1aal s ILE 18 CO -0.04 0.51 0.66 -0.63 0.00 0.00 0.00 174.94 175.44 1aal s ILE 19 N 0.32 5.05 0.31 2.92 1.01 -1.26 -0.74 121.20 128.82 1aal s ILE 19 Ca -0.15 1.32 0.03 0.00 0.00 0.00 0.00 60.65 61.85 1aal s ILE 19 Cb -0.17 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1aal s ILE 19 CO 0.07 0.22 0.08 -0.13 0.00 0.00 0.00 174.94 175.17 1aal s ARG 20 N 1.12 1.61 0.13 2.79 1.81 -0.37 -4.93 118.95 121.11 1aal s ARG 20 Ca 0.34 -1.90 0.08 0.00 -1.72 0.00 0.00 55.73 52.53 1aal s ARG 20 Cb -0.17 -0.63 -0.04 0.00 -0.45 0.00 0.00 34.95 33.66 1aal s ARG 20 CO 0.15 -0.26 -0.10 0.71 -0.68 0.00 0.00 175.30 175.11 1aal s TYR 21 N -3.44 2.70 0.11 -0.53 1.51 -0.07 -0.89 117.35 116.74 1aal s TYR 21 Ca 0.35 -0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 56.22 1aal s TYR 21 Cb 0.08 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 1aal s TYR 21 CO 0.15 0.45 0.03 -0.59 -1.11 0.00 0.00 175.55 174.48 1aal s PHE 22 N -1.35 0.80 -0.21 2.71 -0.71 0.14 -0.53 117.98 118.83 1aal s PHE 22 Ca 0.22 -1.18 -0.17 0.00 -1.04 0.00 0.00 56.93 54.77 1aal s PHE 22 Cb -0.10 -0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 41.20 1aal s PHE 22 CO 0.14 -0.46 0.44 -0.47 -1.34 0.00 0.00 175.22 173.53 1aal s TYR 23 N -3.98 3.36 -0.78 3.49 5.04 -1.26 -1.02 117.35 122.18 1aal s TYR 23 Ca 0.20 0.65 -0.18 0.00 -2.44 0.00 0.00 57.07 55.30 1aal s TYR 23 Cb 0.07 -2.58 0.14 0.00 0.35 0.00 0.00 41.96 39.94 1aal s TYR 23 CO -0.01 -0.07 0.89 1.21 -1.34 0.00 0.00 175.55 176.23 1aal s ASN 24 N 1.15 6.50 0.56 4.32 3.84 -0.18 -4.82 114.94 126.31 1aal s ASN 24 Ca 0.20 -1.98 0.34 0.00 0.21 0.00 0.00 52.86 51.64 1aal s ASN 24 Cb -0.15 -2.32 1.54 0.00 -0.55 0.00 0.00 41.25 39.77 1aal s ASN 24 CO 0.09 -0.97 2.06 0.00 -2.79 0.00 0.00 177.10 175.49 1aal h ALA 25 N 8.70 1.03 0.35 1.71 0.00 -1.83 0.21 119.26 129.43 1aal h ALA 25 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1aal h ALA 25 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1aal h ALA 25 CO 1.01 0.05 -0.17 0.87 0.00 0.00 0.00 179.25 181.01 1aal h LYS 26 N 0.00 -0.46 0.00 0.00 6.56 -1.94 -3.23 116.57 117.50 1aal h LYS 26 Ca -0.00 0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.61 1aal h LYS 26 Cb 0.42 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1aal h LYS 26 CO 0.00 -0.21 -0.05 0.00 -2.06 0.00 0.00 179.45 177.13 1aal h ALA 27 N -0.91 1.06 -1.52 3.86 0.00 -1.92 -3.46 119.26 116.36 1aal h ALA 27 Ca -0.05 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1aal h ALA 27 Cb 0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1aal h ALA 27 CO 0.08 0.06 -0.25 0.41 0.00 0.00 0.00 179.25 179.55 1aal n GLY 28 N -0.34 0.01 3.09 0.00 0.00 0.71 -5.02 105.19 103.64 1aal n GLY 28 Ca -0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 1aal n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aal s LEU 29 N -2.83 2.41 0.18 0.99 1.43 -1.10 -4.99 118.68 114.77 1aal s LEU 29 Ca 0.02 -0.94 -0.28 0.00 -1.03 0.00 0.00 54.13 51.91 1aal s LEU 29 Cb -0.01 0.24 -0.08 0.00 0.03 0.00 0.00 46.19 46.37 1aal s LEU 29 CO 0.03 -0.58 0.87 -0.69 0.23 0.00 0.00 176.35 176.21 1aal s VAL 30 N -3.72 4.28 0.23 -1.59 1.01 -1.26 -1.01 120.40 118.34 1aal s VAL 30 Ca 0.05 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.95 1aal s VAL 30 Cb 0.06 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1aal s VAL 30 CO -0.09 0.48 0.12 -1.10 0.00 0.00 0.00 175.10 174.51 1aal s GLN 31 N -0.94 1.33 0.20 2.72 -0.21 -0.19 -4.91 119.66 117.66 1aal s GLN 31 Ca 0.40 -1.72 0.06 0.00 0.02 0.00 0.00 55.36 54.12 1aal s GLN 31 Cb -0.24 0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.76 1aal s GLN 31 CO 0.29 -0.37 0.14 0.95 -2.12 0.00 0.00 175.29 174.18 1aal s THR 32 N -3.94 4.35 0.20 -0.19 -4.23 -1.26 -0.68 115.64 109.89 1aal s THR 32 Ca 0.38 -1.27 -0.13 0.00 -1.18 0.00 0.00 61.69 59.49 1aal s THR 32 Cb 0.07 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1aal s THR 32 CO 0.14 -0.21 0.43 0.72 -0.54 0.00 0.00 174.62 175.15 1aal s PHE 33 N -1.91 0.22 -0.29 3.99 -0.71 -0.07 -4.89 117.98 114.31 1aal s PHE 33 Ca 0.31 -0.57 -0.16 0.00 -1.04 0.00 0.00 56.93 55.47 1aal s PHE 33 Cb -0.09 0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 1aal s PHE 33 CO 0.23 -0.88 0.41 0.08 -1.34 0.00 0.00 175.22 173.73 1aal s VAL 34 N -3.95 5.13 -0.16 -2.49 1.01 -1.26 -1.24 120.40 117.44 1aal s VAL 34 Ca 0.16 0.52 -0.11 0.00 0.00 0.00 0.00 61.98 62.55 1aal s VAL 34 Cb 0.01 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1aal s VAL 34 CO 0.02 0.06 0.22 -0.47 0.00 0.00 0.00 175.10 174.93 1aal s TYR 35 N 2.15 3.47 -1.32 5.22 5.04 0.08 -4.47 117.35 127.53 1aal s TYR 35 Ca 0.16 0.51 0.29 0.00 -2.44 0.00 0.00 57.07 55.59 1aal s TYR 35 Cb -0.16 -2.21 1.31 0.00 0.35 0.00 0.00 41.96 41.25 1aal s TYR 35 CO 0.11 0.35 1.93 0.41 -1.34 0.00 0.00 175.55 177.01 1aal n GLY 36 N 3.16 -1.27 0.00 8.97 0.00 -0.29 -1.78 105.19 113.98 1aal n GLY 36 Ca -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1aal n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aal n GLY 37 N 1.36 2.04 3.10 -0.02 0.00 -1.26 -1.34 105.19 109.07 1aal n GLY 37 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 1aal n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aal n ARG 39 N 0.48 -5.70 -2.28 0.00 1.74 -1.26 -4.23 116.66 105.40 1aal n ARG 39 Ca -0.17 0.71 -0.37 0.00 -0.77 0.00 0.00 57.85 57.25 1aal n ARG 39 Cb 0.60 -5.32 -0.01 0.00 -1.02 0.00 0.00 32.46 26.70 1aal n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aal s ALA 40 N -3.30 3.01 0.73 7.54 0.00 -1.26 -4.81 121.76 123.67 1aal s ALA 40 Ca 0.07 0.93 -0.03 0.00 0.00 0.00 0.00 51.96 52.93 1aal s ALA 40 Cb -0.03 -3.38 0.12 0.00 0.00 0.00 0.00 23.12 19.83 1aal s ALA 40 CO 0.61 -0.62 1.01 0.15 0.00 0.00 0.00 175.76 176.91 1aal s LYS 41 N -2.63 1.69 0.29 0.00 1.02 -1.26 -5.01 119.74 113.84 1aal s LYS 41 Ca 0.62 -0.95 0.13 0.00 0.02 0.00 0.00 55.97 55.80 1aal s LYS 41 Cb -0.29 -2.29 0.36 0.00 -0.52 0.00 0.00 37.83 35.10 1aal s LYS 41 CO 0.35 -1.46 1.59 0.00 -0.92 0.00 0.00 175.35 174.91 1aal h ARG 42 N -0.59 0.00 -3.54 1.68 3.08 -1.96 -3.34 114.38 109.71 1aal h ARG 42 Ca -0.38 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 58.95 1aal h ARG 42 Cb 1.27 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.26 1aal h ARG 42 CO 0.43 0.57 2.94 -1.71 -1.07 0.00 0.00 179.97 181.13 1aal n ASN 43 N -3.58 5.56 -3.40 7.04 5.15 -1.26 -4.76 115.26 120.02 1aal n ASN 43 Ca -0.00 -2.88 -0.04 0.00 -0.60 0.00 0.00 54.58 51.05 1aal n ASN 43 Cb 0.64 -1.57 -0.06 0.00 -0.53 0.00 0.00 39.78 38.26 1aal n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1aal s ASN 44 N 2.13 -0.48 0.13 1.20 3.84 -1.26 -4.63 114.94 115.88 1aal s ASN 44 Ca 0.50 0.74 0.07 0.00 0.21 0.00 0.00 52.86 54.39 1aal s ASN 44 Cb 0.14 1.60 -0.04 0.00 -0.55 0.00 0.00 41.25 42.40 1aal s ASN 44 CO -0.06 -0.26 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.46 1aal s PHE 45 N 2.69 1.59 -0.56 0.43 0.40 0.31 -4.95 117.98 117.89 1aal s PHE 45 Ca 0.09 -0.50 0.24 0.00 -0.60 0.00 0.00 56.93 56.17 1aal s PHE 45 Cb -0.14 -0.83 0.47 0.00 0.51 0.00 0.00 43.02 43.03 1aal s PHE 45 CO -0.17 0.21 1.54 0.87 0.70 0.00 0.00 175.22 178.38 1aal h LYS 46 N 3.53 0.00 -3.98 0.44 1.57 -1.94 -0.15 116.57 116.04 1aal h LYS 46 Ca -0.42 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.26 1aal h LYS 46 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.36 1aal h LYS 46 CO 0.49 0.00 -0.48 -1.54 -0.57 0.00 0.00 179.45 177.35 1aal s SER 47 N -5.12 0.24 0.38 0.86 1.04 -1.26 -4.84 113.70 105.00 1aal s SER 47 Ca 0.07 -0.80 0.10 0.00 0.48 0.00 0.00 55.95 55.80 1aal s SER 47 Cb 0.10 0.30 0.74 0.00 0.10 0.00 0.00 66.02 67.26 1aal s SER 47 CO 0.67 -0.70 1.87 0.00 0.98 0.00 0.00 173.24 176.06 1aal h ALA 48 N 2.87 1.44 -0.38 5.32 0.00 -1.96 -2.72 119.26 123.83 1aal h ALA 48 Ca -0.34 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 1aal h ALA 48 Cb 1.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1aal h ALA 48 CO 0.59 0.40 -0.13 0.93 0.00 0.00 0.00 179.25 181.04 1aal h GLU 49 N 0.16 0.68 -0.07 0.00 3.07 -1.99 -1.33 114.58 115.10 1aal h GLU 49 Ca 0.03 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.66 1aal h GLU 49 Cb 0.49 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1aal h GLU 49 CO 0.03 0.78 0.02 -0.44 -1.40 0.00 0.00 179.01 178.00 1aal h ASP 50 N 0.61 0.10 -0.11 1.42 3.32 -1.91 0.18 116.42 120.04 1aal h ASP 50 Ca 0.11 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 56.95 1aal h ASP 50 Cb 0.57 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1aal h ASP 50 CO 0.04 0.31 -0.06 0.00 -1.72 0.00 0.00 179.24 177.81 1aal h ALA 51 N 0.80 0.04 -0.49 3.45 0.00 -1.23 -1.25 119.26 120.58 1aal h ALA 51 Ca 0.02 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1aal h ALA 51 Cb 0.25 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1aal h ALA 51 CO 0.00 -0.52 0.17 1.98 0.00 0.00 0.00 179.25 180.89 1aal h MET 52 N -0.05 0.75 -0.76 0.00 1.85 -1.19 0.35 114.93 115.88 1aal h MET 52 Ca 0.06 -0.15 0.02 0.00 -0.61 0.00 0.00 59.70 59.02 1aal h MET 52 Cb 0.14 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.02 1aal h MET 52 CO -0.14 0.69 0.49 -0.09 -0.40 0.00 0.00 176.91 177.46 1aal h ARG 53 N 0.66 0.95 0.03 0.39 2.43 -0.40 0.11 114.38 118.55 1aal h ARG 53 Ca 0.16 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 1aal h ARG 53 Cb 0.24 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1aal h ARG 53 CO -0.01 0.63 -0.45 1.15 -1.51 0.00 0.00 179.97 179.78 1aal h THR 54 N 0.98 1.53 -0.00 0.20 2.02 -1.10 -3.38 112.91 113.15 1aal h THR 54 Ca 0.29 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.32 1aal h THR 54 Cb -0.05 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1aal h THR 54 CO -0.09 0.60 -0.76 0.00 0.37 0.00 0.00 175.52 175.64 1aal n GLY 56 N 1.40 -1.38 0.00 0.00 0.00 0.37 -4.94 105.19 100.64 1aal n GLY 56 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1aal n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aal n GLY 57 N 1.39 -1.88 0.00 -0.02 0.00 -1.26 -5.06 105.19 98.36 1aal n GLY 57 Ca 0.04 -0.63 0.09 0.00 0.00 0.00 0.00 46.02 45.53 1aal n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32