#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ld6 s PRO 2 N 0.00 4.24 0.15 2.89 0.02 -1.26 -4.93 135.00 136.11 1ld6 s PRO 2 Ca 0.00 2.32 -0.26 0.00 0.02 0.00 0.00 61.00 63.08 1ld6 s PRO 2 Cb 0.00 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.39 1ld6 s PRO 2 CO 0.00 -0.52 1.59 -0.44 -0.33 0.00 0.00 177.00 177.29 1ld6 h ASP 3 N 6.11 -1.25 -0.67 2.53 3.32 -2.02 -0.62 116.42 123.82 1ld6 h ASP 3 Ca -0.44 0.20 0.19 0.00 0.02 0.00 0.00 57.03 57.00 1ld6 h ASP 3 Cb 1.21 0.56 -0.03 0.00 0.22 0.00 0.00 39.33 41.29 1ld6 h ASP 3 CO 0.86 -0.36 0.60 2.19 -1.72 0.00 0.00 179.24 180.81 1ld6 h PHE 4 N -0.32 0.00 -0.02 4.55 -0.00 -1.96 0.37 116.94 119.56 1ld6 h PHE 4 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.12 1ld6 h PHE 4 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.52 1ld6 h PHE 4 CO -0.56 0.00 0.02 0.00 -0.00 0.00 0.00 178.31 177.77 1ld6 n LEU 6 N -3.63 0.61 -4.64 0.00 4.77 0.13 -4.29 117.00 109.95 1ld6 n LEU 6 Ca -0.03 0.51 -0.43 0.00 -0.03 0.00 0.00 56.01 56.04 1ld6 n LEU 6 Cb 0.10 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1ld6 n LEU 6 CO 0.25 -0.12 1.20 -0.70 -1.33 0.00 0.00 177.39 176.70 1ld6 s GLU 7 N -3.08 4.01 0.73 3.23 2.12 0.13 -4.87 118.70 120.98 1ld6 s GLU 7 Ca 0.11 1.58 -0.11 0.00 0.36 0.00 0.00 54.97 56.92 1ld6 s GLU 7 Cb 0.14 -3.90 0.03 0.00 0.26 0.00 0.00 34.13 30.67 1ld6 s GLU 7 CO 0.59 -1.01 1.07 -1.25 -0.54 0.00 0.00 175.26 174.13 1ld6 s PRO 8 N 4.08 2.61 1.01 4.30 0.04 -1.26 -4.78 135.00 140.99 1ld6 s PRO 8 Ca 0.61 1.00 -0.26 0.00 0.04 0.00 0.00 61.00 62.39 1ld6 s PRO 8 Cb -0.22 -1.95 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 1ld6 s PRO 8 CO 0.23 -1.35 -1.35 -2.30 0.04 0.00 0.00 177.00 172.27 1ld6 n PRO 9 N -3.30 -0.20 -1.87 0.56 -0.01 -1.26 -4.95 135.00 123.96 1ld6 n PRO 9 Ca 0.08 -0.06 -0.30 0.00 -0.01 0.00 0.00 63.50 63.22 1ld6 n PRO 9 Cb 0.54 -1.08 0.07 0.00 -0.01 0.00 0.00 33.50 33.01 1ld6 n PRO 9 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 175.50 175.02 1ld6 s TYR 10 N -2.03 3.15 -0.36 6.00 6.14 -1.21 -5.00 117.35 124.05 1ld6 s TYR 10 Ca 0.38 0.94 -0.00 0.00 0.64 0.00 0.00 57.07 59.03 1ld6 s TYR 10 Cb 0.08 -3.23 0.13 0.00 0.42 0.00 0.00 41.96 39.36 1ld6 s TYR 10 CO 0.65 -1.45 0.20 0.00 0.64 0.00 0.00 175.55 175.59 1ld6 s ALA 11 N -3.43 1.11 0.00 3.97 0.00 -1.26 -4.14 121.76 118.01 1ld6 s ALA 11 Ca 0.60 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1ld6 s ALA 11 Cb -0.11 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1ld6 s ALA 11 CO 0.51 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.65 1ld6 n GLY 12 N 4.14 4.27 1.63 0.00 0.00 -1.26 -5.01 105.19 108.96 1ld6 n GLY 12 Ca 0.09 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 1ld6 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ld6 n ALA 13 N -3.00 4.29 -1.69 4.61 0.00 -1.26 -4.36 120.51 119.09 1ld6 n ALA 13 Ca 0.00 -1.08 -0.32 0.00 0.00 0.00 0.00 53.44 52.04 1ld6 n ALA 13 Cb 0.00 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.25 1ld6 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ld6 s ARG 15 N -4.51 0.54 -0.18 0.00 1.70 -1.26 -0.12 118.95 115.11 1ld6 s ARG 15 Ca 0.60 0.66 -0.05 0.00 -0.47 0.00 0.00 55.73 56.47 1ld6 s ARG 15 Cb -0.14 0.25 0.02 0.00 -0.57 0.00 0.00 34.95 34.52 1ld6 s ARG 15 CO 0.44 -0.88 0.11 0.00 -1.08 0.00 0.00 175.30 173.88 1ld6 n ALA 16 N 5.41 -3.48 -2.70 7.88 0.00 -1.26 -4.89 120.51 121.47 1ld6 n ALA 16 Ca 0.02 1.20 -0.07 0.00 0.00 0.00 0.00 53.44 54.60 1ld6 n ALA 16 Cb 0.52 -2.36 0.10 0.00 0.00 0.00 0.00 19.45 17.71 1ld6 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ld6 n ALA 17 N 0.95 0.52 -2.18 0.00 0.00 -1.26 -4.96 120.51 113.57 1ld6 n ALA 17 Ca -0.18 -1.17 -0.42 0.00 0.00 0.00 0.00 53.44 51.66 1ld6 n ALA 17 Cb 0.28 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1ld6 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ld6 s ALA 18 N 0.18 3.60 0.00 0.00 0.00 -1.25 -4.63 121.76 119.66 1ld6 s ALA 18 Ca 0.19 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1ld6 s ALA 18 Cb 0.34 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1ld6 s ALA 18 CO -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 175.76 174.65 1ld6 n ALA 19 N 5.80 0.00 -2.04 0.00 0.00 -1.26 -5.05 120.51 117.97 1ld6 n ALA 19 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 1ld6 n ALA 19 Cb 0.43 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.95 1ld6 n ALA 19 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ld6 s ARG 20 N -1.88 2.23 0.22 0.00 0.52 -1.26 -4.73 118.95 114.05 1ld6 s ARG 20 Ca 0.00 -1.69 0.01 0.00 -0.52 0.00 0.00 55.73 53.53 1ld6 s ARG 20 Cb 0.00 -2.63 -0.05 0.00 0.52 0.00 0.00 34.95 32.79 1ld6 s ARG 20 CO 0.00 -0.94 0.08 0.71 0.02 0.00 0.00 175.30 175.16 1ld6 s TYR 21 N -2.71 1.37 0.05 -0.53 1.51 -0.03 -2.10 117.35 114.91 1ld6 s TYR 21 Ca 0.63 -1.18 -0.07 0.00 -1.01 0.00 0.00 57.07 55.44 1ld6 s TYR 21 Cb -0.05 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 41.01 1ld6 s TYR 21 CO 0.40 -0.36 0.14 -0.59 -1.11 0.00 0.00 175.55 174.03 1ld6 s PHE 22 N -3.81 0.17 0.14 2.71 -0.71 -0.13 -2.27 117.98 114.08 1ld6 s PHE 22 Ca 0.34 -0.50 -0.23 0.00 -1.04 0.00 0.00 56.93 55.50 1ld6 s PHE 22 Cb 0.07 -0.10 -0.08 0.00 -1.21 0.00 0.00 43.02 41.70 1ld6 s PHE 22 CO 0.11 -0.44 0.70 -0.47 -1.34 0.00 0.00 175.22 173.78 1ld6 s TYR 23 N -3.08 3.85 -0.73 3.49 5.04 -1.26 -0.87 117.35 123.79 1ld6 s TYR 23 Ca -0.01 1.49 -0.07 0.00 -2.44 0.00 0.00 57.07 56.04 1ld6 s TYR 23 Cb 0.01 -2.66 0.19 0.00 0.35 0.00 0.00 41.96 39.85 1ld6 s TYR 23 CO -0.07 0.52 0.60 1.21 -1.34 0.00 0.00 175.55 176.47 1ld6 s ASN 24 N -1.20 5.88 0.60 4.32 3.84 0.14 -4.80 114.94 123.72 1ld6 s ASN 24 Ca 0.34 -2.88 0.29 0.00 0.21 0.00 0.00 52.86 50.82 1ld6 s ASN 24 Cb -0.21 -2.00 1.51 0.00 -0.55 0.00 0.00 41.25 40.00 1ld6 s ASN 24 CO 0.23 -0.43 1.91 0.00 -2.79 0.00 0.00 177.10 176.03 1ld6 h ALA 25 N 7.21 2.04 -0.10 1.71 0.00 -1.84 0.86 119.26 129.14 1ld6 h ALA 25 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ld6 h ALA 25 Cb 0.97 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ld6 h ALA 25 CO 0.74 -0.63 0.00 1.63 0.00 0.00 0.00 179.25 180.99 1ld6 n LYS 26 N -3.62 1.88 0.00 0.00 5.02 -1.26 -4.23 118.16 115.95 1ld6 n LYS 26 Ca 0.06 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.06 1ld6 n LYS 26 Cb 0.60 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1ld6 n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ld6 n ALA 27 N 0.54 0.04 -0.34 7.82 0.00 0.24 -5.01 120.51 123.80 1ld6 n ALA 27 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1ld6 n ALA 27 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1ld6 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ld6 n GLY 28 N 0.00 0.41 3.62 0.00 0.00 0.22 -4.92 105.19 104.53 1ld6 n GLY 28 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ld6 n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ld6 s LEU 29 N 0.00 2.58 0.43 0.99 1.02 -1.25 -4.87 118.68 117.58 1ld6 s LEU 29 Ca 0.00 -1.46 0.08 0.00 0.02 0.00 0.00 54.13 52.77 1ld6 s LEU 29 Cb 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 46.19 45.48 1ld6 s LEU 29 CO 0.00 -0.60 0.49 0.00 0.02 0.00 0.00 176.35 176.26 1ld6 s GLN 31 N -4.27 0.56 0.06 0.00 2.00 -0.05 -4.90 119.66 113.06 1ld6 s GLN 31 Ca 0.52 0.32 -0.30 0.00 -2.00 0.00 0.00 55.36 53.89 1ld6 s GLN 31 Cb -0.07 0.26 -0.05 0.00 0.80 0.00 0.00 33.01 33.95 1ld6 s GLN 31 CO 0.31 -0.11 1.13 -0.08 -0.50 0.00 0.00 175.29 176.04 1ld6 s THR 32 N -0.32 4.23 0.97 -0.34 -1.32 -1.26 -0.96 115.64 116.64 1ld6 s THR 32 Ca -0.05 1.63 -0.12 0.00 -1.21 0.00 0.00 61.69 61.94 1ld6 s THR 32 Cb -0.03 -4.04 0.09 0.00 -1.51 0.00 0.00 72.50 67.00 1ld6 s THR 32 CO 0.02 0.14 0.63 0.49 -2.21 0.00 0.00 174.62 173.70 1ld6 n PHE 33 N 3.75 -0.74 -2.23 9.09 3.01 -0.89 -4.97 117.46 124.47 1ld6 n PHE 33 Ca 0.07 0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.79 1ld6 n PHE 33 Cb 0.48 -1.83 0.00 0.00 -0.01 0.00 0.00 39.48 38.12 1ld6 n PHE 33 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ld6 n ALA 34 N -3.95 0.00 -1.17 4.37 0.00 -1.07 -3.93 120.51 114.75 1ld6 n ALA 34 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.12 1ld6 n ALA 34 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 1ld6 n ALA 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ld6 n TYR 35 N 0.00 -0.59 -4.07 0.00 4.02 -1.26 -0.13 117.16 115.13 1ld6 n TYR 35 Ca 0.00 0.78 -0.34 0.00 -0.01 0.00 0.00 57.90 58.34 1ld6 n TYR 35 Cb 0.00 -1.64 -0.04 0.00 -0.02 0.00 0.00 39.34 37.64 1ld6 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ld6 n GLY 36 N 1.73 -0.44 3.14 2.72 0.00 0.82 -4.87 105.19 108.29 1ld6 n GLY 36 Ca 0.14 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.27 1ld6 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ld6 s ALA 37 N -3.10 -2.72 0.73 4.61 0.00 0.81 -4.10 121.76 118.00 1ld6 s ALA 37 Ca 0.67 0.51 -0.04 0.00 0.00 0.00 0.00 51.96 53.10 1ld6 s ALA 37 Cb -0.37 -2.75 0.11 0.00 0.00 0.00 0.00 23.12 20.10 1ld6 s ALA 37 CO 0.82 -2.20 1.02 0.00 0.00 0.00 0.00 175.76 175.40 1ld6 s ALA 39 N -3.23 3.48 0.32 0.00 0.00 -1.26 -3.30 121.76 117.76 1ld6 s ALA 39 Ca 0.65 0.84 -0.25 0.00 0.00 0.00 0.00 51.96 53.19 1ld6 s ALA 39 Cb -0.07 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 1ld6 s ALA 39 CO 0.45 -0.63 0.93 0.00 0.00 0.00 0.00 175.76 176.51 1ld6 s ALA 40 N 1.61 3.21 0.36 0.00 0.00 -1.26 -4.96 121.76 120.73 1ld6 s ALA 40 Ca 0.60 0.49 0.06 0.00 0.00 0.00 0.00 51.96 53.11 1ld6 s ALA 40 Cb -0.30 -3.16 0.69 0.00 0.00 0.00 0.00 23.12 20.36 1ld6 s ALA 40 CO 0.27 0.18 1.92 -0.22 0.00 0.00 0.00 175.76 177.91 1ld6 h LYS 41 N 3.12 0.45 0.00 0.00 1.63 -2.00 -3.38 116.57 116.40 1ld6 h LYS 41 Ca -0.47 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.25 1ld6 h LYS 41 Cb 1.19 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1ld6 h LYS 41 CO 0.65 0.47 0.00 0.54 -3.45 0.00 0.00 179.45 177.66 1ld6 n ARG 42 N -4.31 0.00 -2.76 1.90 5.12 -1.26 -4.81 116.66 110.53 1ld6 n ARG 42 Ca 0.01 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.51 1ld6 n ARG 42 Cb 0.22 -0.28 -0.04 0.00 -1.16 0.00 0.00 32.46 31.20 1ld6 n ARG 42 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1ld6 s ASN 43 N -1.00 6.29 -0.29 0.55 2.47 -1.26 -4.94 114.94 116.75 1ld6 s ASN 43 Ca 0.00 -0.44 0.01 0.00 0.42 0.00 0.00 52.86 52.85 1ld6 s ASN 43 Cb 0.00 -2.47 0.19 0.00 -1.45 0.00 0.00 41.25 37.52 1ld6 s ASN 43 CO 0.00 -1.40 0.58 0.54 -3.72 0.00 0.00 177.10 173.10 1ld6 s ASN 44 N 3.17 -1.29 -0.12 -4.21 4.22 -1.26 -4.30 114.94 111.16 1ld6 s ASN 44 Ca 0.31 0.61 -0.04 0.00 -2.14 0.00 0.00 52.86 51.60 1ld6 s ASN 44 Cb -0.12 2.03 -0.04 0.00 1.28 0.00 0.00 41.25 44.40 1ld6 s ASN 44 CO 0.17 -0.28 0.04 -0.36 -2.04 0.00 0.00 177.10 174.64 1ld6 s PHE 45 N 2.82 3.25 -0.22 1.54 0.40 -0.96 -4.95 117.98 119.86 1ld6 s PHE 45 Ca 0.17 0.19 0.23 0.00 -0.60 0.00 0.00 56.93 56.93 1ld6 s PHE 45 Cb -0.14 -1.90 1.19 0.00 0.51 0.00 0.00 43.02 42.68 1ld6 s PHE 45 CO -0.22 0.41 1.71 1.57 0.70 0.00 0.00 175.22 179.39 1ld6 h LYS 46 N 5.59 0.00 -2.84 0.44 2.10 -1.90 -0.04 116.57 119.92 1ld6 h LYS 46 Ca -0.47 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.07 1ld6 h LYS 46 Cb 1.19 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.31 1ld6 h LYS 46 CO 0.59 0.00 -0.22 -1.54 -2.00 0.00 0.00 179.45 176.29 1ld6 s SER 47 N -4.17 -0.32 0.28 7.07 1.04 -1.26 -4.67 113.70 111.68 1ld6 s SER 47 Ca -0.01 0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.78 1ld6 s SER 47 Cb 0.07 0.50 0.39 0.00 0.10 0.00 0.00 66.02 67.09 1ld6 s SER 47 CO 0.26 -0.36 1.94 0.00 0.98 0.00 0.00 173.24 176.06 1ld6 h ALA 48 N 4.32 1.38 -0.85 5.32 0.00 -1.93 0.21 119.26 127.71 1ld6 h ALA 48 Ca -0.28 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ld6 h ALA 48 Cb 1.17 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1ld6 h ALA 48 CO 0.35 0.56 0.56 0.93 0.00 0.00 0.00 179.25 181.65 1ld6 h GLU 49 N 1.20 1.13 -0.39 0.00 3.07 -1.97 0.24 114.58 117.86 1ld6 h GLU 49 Ca 0.35 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 59.08 1ld6 h GLU 49 Cb -0.08 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.56 1ld6 h GLU 49 CO -0.09 0.75 0.02 0.22 -1.40 0.00 0.00 179.01 178.51 1ld6 h ASP 50 N 1.16 0.66 0.53 1.42 3.58 -1.24 0.07 116.42 122.60 1ld6 h ASP 50 Ca 0.31 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 1ld6 h ASP 50 Cb -0.13 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 40.75 1ld6 h ASP 50 CO -0.07 0.79 -0.26 0.00 -2.88 0.00 0.00 179.24 176.82 1ld6 h LEU 52 N -0.83 0.80 0.10 0.00 3.38 -0.56 1.53 115.31 119.73 1ld6 h LEU 52 Ca -0.07 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ld6 h LEU 52 Cb 0.60 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ld6 h LEU 52 CO 0.12 0.45 -0.07 -0.09 0.09 0.00 0.00 178.44 178.93 1ld6 h ARG 53 N 0.90 -0.17 0.00 1.13 2.43 -0.82 0.68 114.38 118.53 1ld6 h ARG 53 Ca 0.44 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1ld6 h ARG 53 Cb 0.40 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1ld6 h ARG 53 CO -0.25 -0.11 -0.00 1.15 -1.51 0.00 0.00 179.97 179.24 1ld6 h THR 54 N -0.18 0.23 -0.08 0.20 2.02 -0.76 -3.40 112.91 110.95 1ld6 h THR 54 Ca -0.00 -1.17 -0.14 0.00 0.77 0.00 0.00 66.41 65.86 1ld6 h THR 54 Cb 0.16 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1ld6 h THR 54 CO -0.00 0.08 -0.50 0.00 0.37 0.00 0.00 175.52 175.47 1ld6 s GLY 56 N -3.93 2.24 0.04 0.00 0.00 0.24 -4.79 107.32 101.12 1ld6 s GLY 56 Ca -0.13 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.35 1ld6 s GLY 56 CO 0.82 1.16 0.00 0.61 0.00 0.00 0.00 173.10 175.69 1ld6 n GLY 57 N 0.12 -1.93 2.53 0.20 0.00 -1.26 -4.67 105.19 100.18 1ld6 n GLY 57 Ca 0.12 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1ld6 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32