#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oa5 n PRO 2 N 0.00 2.44 0.40 2.89 -0.02 -1.25 -4.73 135.00 134.74 1oa5 n PRO 2 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.30 1oa5 n PRO 2 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.39 1oa5 n PRO 2 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1oa5 h ASP 3 N 0.00 -0.85 0.00 2.55 2.03 -2.00 -3.01 116.42 115.15 1oa5 h ASP 3 Ca 0.00 0.02 -0.03 0.00 -0.73 0.00 0.00 57.03 56.28 1oa5 h ASP 3 Cb 0.00 0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.71 1oa5 h ASP 3 CO 0.00 -0.58 0.31 2.22 -1.03 0.00 0.00 179.24 180.17 1oa5 n PHE 4 N -5.50 0.00 -1.39 4.15 1.16 -1.26 -2.14 117.46 112.48 1oa5 n PHE 4 Ca -0.14 -0.27 0.00 0.00 -1.87 0.00 0.00 57.45 55.17 1oa5 n PHE 4 Cb 0.41 -0.60 0.00 0.00 -1.61 0.00 0.00 39.48 37.67 1oa5 n PHE 4 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1oa5 n LEU 6 N 0.00 1.43 -4.67 0.00 4.77 -0.91 -4.52 117.00 113.10 1oa5 n LEU 6 Ca 0.00 0.21 -0.47 0.00 -0.03 0.00 0.00 56.01 55.71 1oa5 n LEU 6 Cb 0.44 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1oa5 n LEU 6 CO 0.00 0.42 1.27 -1.84 -1.33 0.00 0.00 177.39 175.90 1oa5 n GLU 7 N -3.78 2.07 -1.27 3.23 0.28 -1.26 -4.94 120.64 114.97 1oa5 n GLU 7 Ca -0.36 0.75 -0.32 0.00 -0.16 0.00 0.00 57.16 57.07 1oa5 n GLU 7 Cb 0.77 -2.53 0.10 0.00 1.43 0.00 0.00 31.44 31.20 1oa5 n GLU 7 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1oa5 s PRO 8 N 1.89 2.14 0.07 3.44 0.04 -1.26 -4.67 135.00 136.65 1oa5 s PRO 8 Ca 0.84 1.32 -0.37 0.00 0.04 0.00 0.00 61.00 62.83 1oa5 s PRO 8 Cb -0.71 -1.87 -0.18 0.00 0.04 0.00 0.00 34.50 31.77 1oa5 s PRO 8 CO 0.43 -1.75 1.06 -2.30 0.04 0.00 0.00 177.00 174.48 1oa5 n PRO 9 N -3.37 0.40 -3.91 0.56 -0.02 -1.26 -4.95 135.00 122.46 1oa5 n PRO 9 Ca 0.10 0.14 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 1oa5 n PRO 9 Cb 0.52 -1.60 -0.16 0.00 -0.02 0.00 0.00 33.50 32.24 1oa5 n PRO 9 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1oa5 s TYR 10 N -0.07 2.29 0.04 6.00 5.04 -1.26 -4.98 117.35 124.40 1oa5 s TYR 10 Ca 0.83 -1.75 -0.16 0.00 -2.44 0.00 0.00 57.07 53.56 1oa5 s TYR 10 Cb -1.10 -1.63 -0.31 0.00 0.35 0.00 0.00 41.96 39.27 1oa5 s TYR 10 CO 0.54 -0.78 1.06 1.15 -1.34 0.00 0.00 175.55 176.19 1oa5 h THR 11 N 6.63 1.29 0.00 4.34 2.02 -1.91 -3.43 112.91 121.85 1oa5 h THR 11 Ca -0.16 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.48 1oa5 h THR 11 Cb 1.07 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 70.30 1oa5 h THR 11 CO 0.42 0.77 0.00 0.61 0.37 0.00 0.00 175.52 177.68 1oa5 n GLY 12 N 1.49 0.56 0.28 2.16 0.00 -1.26 0.44 105.19 108.85 1oa5 n GLY 12 Ca -0.15 -1.81 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 1oa5 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oa5 h PRO 13 N 0.00 0.92 -7.24 1.61 0.13 -1.91 -3.42 132.00 122.09 1oa5 h PRO 13 Ca 0.00 -0.07 -0.49 0.00 -0.87 0.00 0.00 66.00 64.57 1oa5 h PRO 13 Cb 0.00 -0.20 0.19 0.00 0.13 0.00 0.00 31.00 31.12 1oa5 h PRO 13 CO 0.00 0.63 0.17 0.00 -0.23 0.00 0.00 178.00 178.56 1oa5 n LYS 15 N -4.39 1.25 -3.21 0.00 4.76 -1.21 -4.14 118.16 111.22 1oa5 n LYS 15 Ca 0.09 -3.44 -0.38 0.00 -2.87 0.00 0.00 58.31 51.71 1oa5 n LYS 15 Cb 0.53 -1.56 -0.06 0.00 -1.84 0.00 0.00 35.03 32.10 1oa5 n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1oa5 s ALA 16 N -2.82 3.54 -0.13 7.82 0.00 0.97 -4.91 121.76 126.24 1oa5 s ALA 16 Ca 0.35 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 1oa5 s ALA 16 Cb 0.40 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 1oa5 s ALA 16 CO -0.04 0.38 1.11 0.54 0.00 0.00 0.00 175.76 177.75 1oa5 n ARG 17 N 1.47 0.36 -3.24 0.00 3.00 -1.26 -4.52 116.66 112.48 1oa5 n ARG 17 Ca -0.08 -0.50 -0.46 0.00 -0.01 0.00 0.00 57.85 56.80 1oa5 n ARG 17 Cb 0.51 -1.91 -0.01 0.00 0.00 0.00 0.00 32.46 31.04 1oa5 n ARG 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1oa5 s ILE 18 N 4.04 5.56 0.07 0.55 1.01 -1.23 -5.02 121.20 126.19 1oa5 s ILE 18 Ca 0.08 -2.67 -0.30 0.00 0.00 0.00 0.00 60.65 57.75 1oa5 s ILE 18 Cb 0.03 -4.60 -0.06 0.00 0.01 0.00 0.00 42.46 37.84 1oa5 s ILE 18 CO -0.00 -1.20 1.15 -0.63 0.00 0.00 0.00 174.94 174.25 1oa5 s ILE 19 N 0.19 4.13 0.09 2.92 -1.09 -1.26 -1.03 121.20 125.14 1oa5 s ILE 19 Ca 0.26 1.58 0.02 0.00 -2.23 0.00 0.00 60.65 60.28 1oa5 s ILE 19 Cb -0.09 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.78 1oa5 s ILE 19 CO -0.08 0.15 0.08 0.54 -1.23 0.00 0.00 174.94 174.41 1oa5 n ARG 20 N 3.63 0.12 -4.59 2.79 5.12 -0.85 -4.91 116.66 117.97 1oa5 n ARG 20 Ca 0.07 -0.86 -0.30 0.00 -1.93 0.00 0.00 57.85 54.83 1oa5 n ARG 20 Cb 0.47 0.73 -0.12 0.00 -1.16 0.00 0.00 32.46 32.37 1oa5 n ARG 20 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1oa5 s TYR 21 N -2.69 2.55 0.35 -1.55 1.51 -1.03 -1.31 117.35 115.18 1oa5 s TYR 21 Ca 0.10 -0.26 0.07 0.00 -1.01 0.00 0.00 57.07 55.98 1oa5 s TYR 21 Cb 0.00 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 1oa5 s TYR 21 CO 0.07 0.28 0.26 -0.59 -1.11 0.00 0.00 175.55 174.47 1oa5 s PHE 22 N -0.97 1.80 -0.29 2.71 -0.71 0.17 -0.23 117.98 120.47 1oa5 s PHE 22 Ca 0.15 -1.63 -0.08 0.00 -1.04 0.00 0.00 56.93 54.33 1oa5 s PHE 22 Cb -0.10 -0.80 -0.01 0.00 -1.21 0.00 0.00 43.02 40.90 1oa5 s PHE 22 CO 0.06 -0.80 0.11 -0.47 -1.34 0.00 0.00 175.22 172.79 1oa5 s TYR 23 N -3.36 3.15 -1.06 3.49 5.04 -1.26 -1.18 117.35 122.17 1oa5 s TYR 23 Ca 0.38 -0.67 -0.18 0.00 -2.44 0.00 0.00 57.07 54.16 1oa5 s TYR 23 Cb 0.02 -2.30 0.12 0.00 0.35 0.00 0.00 41.96 40.15 1oa5 s TYR 23 CO 0.26 -0.47 1.34 1.21 -1.34 0.00 0.00 175.55 176.55 1oa5 s ASN 24 N 1.58 6.73 0.22 4.32 3.84 -0.10 -4.82 114.94 126.71 1oa5 s ASN 24 Ca 0.04 -2.19 0.20 0.00 0.21 0.00 0.00 52.86 51.13 1oa5 s ASN 24 Cb -0.17 -2.46 0.91 0.00 -0.55 0.00 0.00 41.25 38.98 1oa5 s ASN 24 CO 0.04 -1.10 1.61 0.00 -2.79 0.00 0.00 177.10 174.87 1oa5 n ALA 25 N 7.06 1.44 0.28 1.71 0.00 -1.26 -1.10 120.51 128.65 1oa5 n ALA 25 Ca 0.32 0.09 0.17 0.00 0.00 0.00 0.00 53.44 54.02 1oa5 n ALA 25 Cb 0.48 -1.32 0.74 0.00 0.00 0.00 0.00 19.45 19.35 1oa5 n ALA 25 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1oa5 h LYS 26 N 0.00 0.00 0.00 0.00 3.11 -1.92 -3.27 116.57 114.49 1oa5 h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1oa5 h LYS 26 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 1oa5 h LYS 26 CO 0.00 0.03 -0.46 0.00 -2.81 0.00 0.00 179.45 176.21 1oa5 n ALA 27 N -2.11 1.25 -0.93 5.00 0.00 -0.94 -5.04 120.51 117.73 1oa5 n ALA 27 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1oa5 n ALA 27 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1oa5 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oa5 n GLY 28 N 1.31 1.17 3.30 0.00 0.00 -0.26 -5.09 105.19 105.62 1oa5 n GLY 28 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1oa5 n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oa5 s LEU 29 N -0.19 0.53 0.69 0.99 2.96 -1.05 -5.02 118.68 117.59 1oa5 s LEU 29 Ca 0.00 0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.90 1oa5 s LEU 29 Cb 0.00 1.58 0.00 0.00 0.50 0.00 0.00 46.19 48.27 1oa5 s LEU 29 CO 0.00 -0.56 1.06 0.00 -1.32 0.00 0.00 176.35 175.53 1oa5 s GLN 31 N -5.08 1.65 0.48 0.00 -0.21 -0.33 -4.72 119.66 111.45 1oa5 s GLN 31 Ca 0.58 -1.13 -0.03 0.00 0.02 0.00 0.00 55.36 54.80 1oa5 s GLN 31 Cb -0.13 0.53 -0.02 0.00 1.00 0.00 0.00 33.01 34.39 1oa5 s GLN 31 CO 0.55 -0.72 0.75 0.95 -2.12 0.00 0.00 175.29 174.69 1oa5 s THR 32 N -3.97 4.49 0.30 -0.19 -4.23 -1.26 -0.65 115.64 110.13 1oa5 s THR 32 Ca 0.17 -0.10 -0.15 0.00 -1.18 0.00 0.00 61.69 60.44 1oa5 s THR 32 Cb -0.03 -3.70 0.06 0.00 1.34 0.00 0.00 72.50 70.17 1oa5 s THR 32 CO 0.08 -0.61 0.75 2.22 -0.54 0.00 0.00 174.62 176.52 1oa5 n PHE 33 N -2.21 -1.96 -4.51 3.99 -1.74 -0.43 -4.78 117.46 105.82 1oa5 n PHE 33 Ca 0.01 -1.50 -0.33 0.00 -0.56 0.00 0.00 57.45 55.06 1oa5 n PHE 33 Cb 0.56 0.75 -0.16 0.00 1.52 0.00 0.00 39.48 42.15 1oa5 n PHE 33 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1oa5 s VAL 34 N -2.18 2.46 -0.22 1.97 1.01 -1.26 -2.02 120.40 120.16 1oa5 s VAL 34 Ca 0.16 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 1oa5 s VAL 34 Cb -0.04 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1oa5 s VAL 34 CO 0.09 0.52 0.12 -0.47 0.00 0.00 0.00 175.10 175.36 1oa5 s TYR 35 N 0.88 3.30 0.28 5.22 5.04 -0.20 -4.43 117.35 127.45 1oa5 s TYR 35 Ca -0.04 0.15 -0.03 0.00 -2.44 0.00 0.00 57.07 54.71 1oa5 s TYR 35 Cb -0.15 -2.19 0.39 0.00 0.35 0.00 0.00 41.96 40.35 1oa5 s TYR 35 CO -0.02 0.10 1.93 0.78 -1.34 0.00 0.00 175.55 177.00 1oa5 h GLY 36 N 7.18 1.34 0.00 8.97 0.00 -0.17 -3.27 103.07 117.12 1oa5 h GLY 36 Ca -0.38 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1oa5 h GLY 36 CO 0.68 0.42 0.00 0.61 0.00 0.00 0.00 176.54 178.26 1oa5 n GLY 37 N -1.39 0.92 3.33 4.60 0.00 -1.25 -0.02 105.19 111.38 1oa5 n GLY 37 Ca 0.12 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1oa5 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oa5 n ARG 39 N -0.13 -5.54 -0.73 0.00 1.74 -1.26 -4.37 116.66 106.37 1oa5 n ARG 39 Ca -0.10 0.77 -0.13 0.00 -0.77 0.00 0.00 57.85 57.62 1oa5 n ARG 39 Cb 0.59 -5.60 0.09 0.00 -1.02 0.00 0.00 32.46 26.52 1oa5 n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oa5 n ALA 40 N -4.09 -0.84 -3.25 7.54 0.00 -1.26 -4.62 120.51 113.98 1oa5 n ALA 40 Ca -0.27 -0.73 -0.01 0.00 0.00 0.00 0.00 53.44 52.43 1oa5 n ALA 40 Cb 0.67 -0.04 -0.00 0.00 0.00 0.00 0.00 19.45 20.07 1oa5 n ALA 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1oa5 n LYS 41 N -2.37 0.38 -0.03 0.00 4.76 -1.26 -5.06 118.16 114.58 1oa5 n LYS 41 Ca 0.07 -0.19 -0.17 0.00 -2.87 0.00 0.00 58.31 55.15 1oa5 n LYS 41 Cb 0.25 0.13 -0.07 0.00 -1.84 0.00 0.00 35.03 33.50 1oa5 n LYS 41 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1oa5 h ARG 42 N 0.00 0.75 -4.26 1.97 3.08 -1.95 -3.33 114.38 110.65 1oa5 h ARG 42 Ca -0.01 -0.59 -0.29 0.00 0.07 0.00 0.00 59.98 59.15 1oa5 h ARG 42 Cb 0.07 0.11 0.05 0.00 0.08 0.00 0.00 29.97 30.28 1oa5 h ARG 42 CO 0.02 1.20 1.47 -1.71 -1.07 0.00 0.00 179.97 179.88 1oa5 n ASN 43 N -4.02 1.25 -3.76 7.04 2.85 -1.26 -4.69 115.26 112.66 1oa5 n ASN 43 Ca -0.07 -2.26 -0.13 0.00 -0.11 0.00 0.00 54.58 52.01 1oa5 n ASN 43 Cb 0.69 -0.65 -0.14 0.00 1.24 0.00 0.00 39.78 40.93 1oa5 n ASN 43 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1oa5 s ASN 44 N 5.37 -0.15 0.30 1.20 3.84 -1.25 -4.59 114.94 119.65 1oa5 s ASN 44 Ca 0.32 0.35 -0.00 0.00 0.21 0.00 0.00 52.86 53.73 1oa5 s ASN 44 Cb 0.07 0.26 -0.02 0.00 -0.55 0.00 0.00 41.25 41.02 1oa5 s ASN 44 CO 0.11 -0.13 0.35 -0.36 -2.79 0.00 0.00 177.10 174.28 1oa5 s PHE 45 N 0.93 1.21 -0.04 0.43 0.08 0.68 -4.98 117.98 116.29 1oa5 s PHE 45 Ca -0.07 -1.36 0.11 0.00 0.12 0.00 0.00 56.93 55.73 1oa5 s PHE 45 Cb -0.09 -0.33 -0.16 0.00 -0.57 0.00 0.00 43.02 41.87 1oa5 s PHE 45 CO -0.05 -0.95 0.24 0.36 -0.10 0.00 0.00 175.22 174.73 1oa5 n LYS 46 N -0.50 0.48 -4.11 0.44 2.85 -1.26 -2.48 118.16 113.58 1oa5 n LYS 46 Ca 0.03 -0.09 -0.08 0.00 -1.05 0.00 0.00 58.31 57.12 1oa5 n LYS 46 Cb 0.63 -1.24 -0.10 0.00 -0.65 0.00 0.00 35.03 33.67 1oa5 n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1oa5 s SER 47 N -3.15 0.50 0.19 -5.58 1.04 -1.26 -4.51 113.70 100.93 1oa5 s SER 47 Ca -0.03 -1.04 -0.08 0.00 0.48 0.00 0.00 55.95 55.27 1oa5 s SER 47 Cb 0.07 0.21 0.10 0.00 0.10 0.00 0.00 66.02 66.50 1oa5 s SER 47 CO 0.44 -0.62 1.66 0.00 0.98 0.00 0.00 173.24 175.70 1oa5 h ALA 48 N 3.08 0.86 -0.66 5.32 0.00 -1.95 -1.84 119.26 124.08 1oa5 h ALA 48 Ca -0.34 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 1oa5 h ALA 48 Cb 1.15 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1oa5 h ALA 48 CO 0.65 0.66 0.08 0.93 0.00 0.00 0.00 179.25 181.57 1oa5 h GLU 49 N 0.95 1.11 0.24 0.00 3.07 -1.98 -1.00 114.58 116.97 1oa5 h GLU 49 Ca 0.17 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1oa5 h GLU 49 Cb 0.56 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1oa5 h GLU 49 CO 0.03 1.03 -0.25 -0.44 -1.40 0.00 0.00 179.01 177.98 1oa5 h ASP 50 N 1.03 -0.67 -0.60 1.42 5.19 -1.82 0.31 116.42 121.28 1oa5 h ASP 50 Ca 0.20 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 1oa5 h ASP 50 Cb 0.48 0.23 -0.03 0.00 0.18 0.00 0.00 39.33 40.19 1oa5 h ASP 50 CO 0.02 -0.36 0.30 0.00 -3.12 0.00 0.00 179.24 176.08 1oa5 h MET 52 N 0.82 0.40 0.00 0.00 2.86 -0.90 0.29 114.93 118.40 1oa5 h MET 52 Ca 0.21 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1oa5 h MET 52 Cb 0.09 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1oa5 h MET 52 CO -0.03 0.64 -0.31 -0.09 1.06 0.00 0.00 176.91 178.19 1oa5 h ARG 53 N 0.12 0.00 0.00 1.72 1.12 -0.32 2.83 114.38 119.84 1oa5 h ARG 53 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 1oa5 h ARG 53 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1oa5 h ARG 53 CO 0.02 0.31 -0.63 2.41 -3.11 0.00 0.00 179.97 178.97 1oa5 n THR 54 N -3.41 0.97 -0.05 0.20 -1.04 -0.19 -4.41 114.28 106.35 1oa5 n THR 54 Ca 0.00 0.27 -0.17 0.00 -2.04 0.00 0.00 64.05 62.12 1oa5 n THR 54 Cb 0.50 -2.06 -0.13 0.00 -1.82 0.00 0.00 70.33 66.82 1oa5 n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oa5 n GLY 56 N 1.60 -2.94 4.95 0.00 0.00 0.79 0.28 105.19 109.87 1oa5 n GLY 56 Ca -0.15 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1oa5 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oa5 n GLY 57 N -0.50 0.39 0.00 -0.02 0.00 0.94 -1.06 105.19 104.94 1oa5 n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1oa5 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32