#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 4.13 0.11 2.89 0.02 -1.26 -4.93 135.00 135.96 1ld6 s PRO 2 Ca 0.00 2.55 -0.26 0.00 0.02 0.00 0.00 61.00 63.30 1ld6 s PRO 2 Cb 0.00 -2.99 -0.08 0.00 0.02 0.00 0.00 34.50 31.45 1ld6 s PRO 2 CO 0.00 -0.53 1.44 0.22 -0.33 0.00 0.00 177.00 177.80 1ld6 h ASP 3 N 3.48 -1.55 -0.79 2.53 1.82 -2.02 0.05 116.42 119.95 1ld6 h ASP 3 Ca -0.50 0.21 0.23 0.00 -0.39 0.00 0.00 57.03 56.58 1ld6 h ASP 3 Cb 1.23 0.64 -0.03 0.00 0.68 0.00 0.00 39.33 41.85 1ld6 h ASP 3 CO 0.68 -0.30 0.57 2.19 -1.61 0.00 0.00 179.24 180.77 1ld6 h PHE 4 N -0.27 0.00 0.00 0.28 -5.15 -1.98 0.34 116.94 110.15 1ld6 h PHE 4 Ca 0.07 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.84 1ld6 h PHE 4 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.63 1ld6 h PHE 4 CO -0.75 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 175.56 1ld6 n LEU 6 N -2.79 0.39 -4.63 0.00 4.77 0.12 -4.30 117.00 110.57 1ld6 n LEU 6 Ca -0.02 0.47 -0.43 0.00 -0.03 0.00 0.00 56.01 56.00 1ld6 n LEU 6 Cb 0.09 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1ld6 n LEU 6 CO 0.18 -0.06 1.27 -1.61 -1.33 0.00 0.00 177.39 175.84 1ld6 s GLU 7 N -3.05 3.81 0.38 3.23 0.41 0.59 -4.82 118.70 119.24 1ld6 s GLU 7 Ca 0.12 1.44 -0.19 0.00 -0.41 0.00 0.00 54.97 55.93 1ld6 s GLU 7 Cb 0.16 -3.98 -0.10 0.00 -1.78 0.00 0.00 34.13 28.43 1ld6 s GLU 7 CO 0.58 -1.27 0.86 -1.25 -0.49 0.00 0.00 175.26 173.69 1ld6 s PRO 8 N 4.53 4.16 0.07 0.39 0.04 -1.26 -4.80 135.00 138.13 1ld6 s PRO 8 Ca 0.65 0.94 -0.10 0.00 0.04 0.00 0.00 61.00 62.53 1ld6 s PRO 8 Cb -0.21 -2.33 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 1ld6 s PRO 8 CO 0.27 0.07 0.40 -1.25 0.04 0.00 0.00 177.00 176.53 1ld6 s PRO 9 N -3.01 3.77 0.14 0.56 0.04 -1.26 -4.88 135.00 130.36 1ld6 s PRO 9 Ca 0.58 0.19 -0.19 0.00 0.04 0.00 0.00 61.00 61.61 1ld6 s PRO 9 Cb -0.10 -3.01 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 1ld6 s PRO 9 CO 0.15 0.57 0.63 1.52 0.04 0.00 0.00 177.00 179.92 1ld6 s TYR 10 N -1.38 3.73 -0.29 0.56 1.13 -1.25 -4.98 117.35 114.88 1ld6 s TYR 10 Ca 0.32 1.30 0.02 0.00 -1.41 0.00 0.00 57.07 57.30 1ld6 s TYR 10 Cb -0.14 -2.54 0.06 0.00 -1.10 0.00 0.00 41.96 38.25 1ld6 s TYR 10 CO 0.18 0.47 -0.05 0.00 -2.51 0.00 0.00 175.55 173.64 1ld6 s ALA 11 N -1.31 2.70 0.00 9.51 0.00 -1.26 -3.01 121.76 128.39 1ld6 s ALA 11 Ca 0.36 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1ld6 s ALA 11 Cb -0.18 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.18 1ld6 s ALA 11 CO 0.21 -1.30 0.00 0.41 0.00 0.00 0.00 175.76 175.07 1ld6 n GLY 12 N 4.46 3.82 3.21 0.00 0.00 -1.24 -4.98 105.19 110.46 1ld6 n GLY 12 Ca -0.11 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.72 -1.78 -3.65 4.61 0.00 -1.26 -4.97 120.51 112.75 1ld6 n ALA 13 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 1ld6 n ALA 13 Cb 0.00 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 16.99 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 -3.37 1.02 -0.13 0.00 3.52 -1.26 -4.40 118.95 114.33 1ld6 s ARG 15 Ca 0.08 -0.92 -0.30 0.00 -0.13 0.00 0.00 55.73 54.46 1ld6 s ARG 15 Cb -0.02 -0.03 0.11 0.00 -1.56 0.00 0.00 34.95 33.46 1ld6 s ARG 15 CO -0.03 -1.28 0.91 0.00 -0.81 0.00 0.00 175.30 174.10 1ld6 s ALA 16 N 1.02 -1.89 -0.43 6.12 0.00 -1.25 -5.03 121.76 120.30 1ld6 s ALA 16 Ca 0.28 1.52 -0.02 0.00 0.00 0.00 0.00 51.96 53.74 1ld6 s ALA 16 Cb -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1ld6 s ALA 16 CO -0.05 -0.32 0.38 0.00 0.00 0.00 0.00 175.76 175.77 1ld6 n ALA 17 N 0.79 -1.55 -1.40 0.00 0.00 -1.26 -4.25 120.51 112.83 1ld6 n ALA 17 Ca -0.13 0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 1ld6 n ALA 17 Cb 0.58 -2.26 0.07 0.00 0.00 0.00 0.00 19.45 17.84 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 -3.13 2.44 -0.44 0.00 0.00 -1.26 -4.26 121.76 115.12 1ld6 s ALA 18 Ca 0.15 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 1ld6 s ALA 18 Cb -0.02 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1ld6 s ALA 18 CO 0.33 -1.50 0.39 0.00 0.00 0.00 0.00 175.76 174.98 1ld6 n ALA 19 N -3.23 -2.02 -2.51 0.00 0.00 -1.26 -4.95 120.51 106.55 1ld6 n ALA 19 Ca 0.09 -0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.30 1ld6 n ALA 19 Cb 0.53 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 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 -3.06 1.82 0.13 0.00 1.81 -1.26 -4.99 118.95 113.40 1ld6 s ARG 20 Ca 0.08 -1.93 0.06 0.00 -1.72 0.00 0.00 55.73 52.23 1ld6 s ARG 20 Cb -0.01 0.37 -0.04 0.00 -0.45 0.00 0.00 34.95 34.82 1ld6 s ARG 20 CO 0.55 -0.71 -0.14 0.71 -0.68 0.00 0.00 175.30 175.04 1ld6 s TYR 21 N -3.28 1.44 0.02 -0.53 1.51 -0.52 -2.39 117.35 113.59 1ld6 s TYR 21 Ca 0.37 -0.56 -0.08 0.00 -1.01 0.00 0.00 57.07 55.79 1ld6 s TYR 21 Cb 0.01 -0.75 0.00 0.00 -0.11 0.00 0.00 41.96 41.12 1ld6 s TYR 21 CO 0.25 0.17 0.17 -0.59 -1.11 0.00 0.00 175.55 174.43 1ld6 s PHE 22 N -2.22 0.06 0.14 2.71 -0.71 -0.61 -1.03 117.98 116.32 1ld6 s PHE 22 Ca 0.10 -0.22 -0.25 0.00 -1.04 0.00 0.00 56.93 55.53 1ld6 s PHE 22 Cb -0.04 -0.05 -0.08 0.00 -1.21 0.00 0.00 43.02 41.64 1ld6 s PHE 22 CO 0.03 -0.36 0.75 -0.47 -1.34 0.00 0.00 175.22 173.83 1ld6 s TYR 23 N -2.04 3.88 -0.68 3.49 5.04 -1.26 -0.97 117.35 124.80 1ld6 s TYR 23 Ca -0.09 1.58 -0.02 0.00 -2.44 0.00 0.00 57.07 56.09 1ld6 s TYR 23 Cb -0.04 -2.74 0.17 0.00 0.35 0.00 0.00 41.96 39.70 1ld6 s TYR 23 CO -0.01 0.50 0.51 1.21 -1.34 0.00 0.00 175.55 176.41 1ld6 s ASN 24 N -1.03 5.35 0.59 4.32 3.84 0.14 -4.83 114.94 123.33 1ld6 s ASN 24 Ca 0.35 -3.07 0.29 0.00 0.21 0.00 0.00 52.86 50.64 1ld6 s ASN 24 Cb -0.22 -1.86 1.54 0.00 -0.55 0.00 0.00 41.25 40.16 1ld6 s ASN 24 CO 0.25 -0.32 1.96 0.00 -2.79 0.00 0.00 177.10 176.20 1ld6 h ALA 25 N 6.76 2.02 0.00 1.71 0.00 -1.82 0.78 119.26 128.71 1ld6 h ALA 25 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ld6 h ALA 25 Cb 0.92 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ld6 h ALA 25 CO 0.74 -0.57 0.00 1.63 0.00 0.00 0.00 179.25 181.05 1ld6 n LYS 26 N -3.69 0.52 0.00 0.00 5.02 -1.26 -3.77 118.16 114.97 1ld6 n LYS 26 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1ld6 n LYS 26 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.24 0.11 -0.25 7.82 0.00 0.22 -5.01 120.51 122.15 1ld6 n ALA 27 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1ld6 n ALA 27 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 0.88 3.64 0.00 0.00 0.18 -4.93 105.19 104.95 1ld6 n GLY 28 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.45 0.38 0.99 1.02 -1.23 -4.84 118.68 117.46 1ld6 s LEU 29 Ca 0.00 -1.52 0.07 0.00 0.02 0.00 0.00 54.13 52.71 1ld6 s LEU 29 Cb 0.00 -0.67 -0.01 0.00 0.02 0.00 0.00 46.19 45.53 1ld6 s LEU 29 CO 0.00 -0.69 0.45 0.00 0.02 0.00 0.00 176.35 176.13 1ld6 s GLN 31 N -4.19 0.81 0.39 0.00 -0.21 -0.15 -4.89 119.66 111.42 1ld6 s GLN 31 Ca 0.48 -0.70 -0.23 0.00 0.02 0.00 0.00 55.36 54.94 1ld6 s GLN 31 Cb -0.07 0.34 -0.10 0.00 1.00 0.00 0.00 33.01 34.17 1ld6 s GLN 31 CO 0.30 -0.26 0.95 -0.08 -2.12 0.00 0.00 175.29 174.09 1ld6 s THR 32 N -3.06 4.29 -0.11 -0.19 -1.32 -1.26 -1.58 115.64 112.41 1ld6 s THR 32 Ca -0.01 1.60 -0.29 0.00 -1.21 0.00 0.00 61.69 61.78 1ld6 s THR 32 Cb 0.01 -3.75 -0.05 0.00 -1.51 0.00 0.00 72.50 67.20 1ld6 s THR 32 CO -0.07 -0.14 1.78 -0.36 -2.21 0.00 0.00 174.62 173.63 1ld6 s PHE 33 N -1.95 1.76 0.22 9.09 0.08 -1.01 -4.96 117.98 121.21 1ld6 s PHE 33 Ca 0.58 0.21 -0.04 0.00 0.12 0.00 0.00 56.93 57.80 1ld6 s PHE 33 Cb -0.13 -4.01 0.05 0.00 -0.57 0.00 0.00 43.02 38.36 1ld6 s PHE 33 CO 0.18 -3.96 0.23 0.00 -0.10 0.00 0.00 175.22 171.57 1ld6 n ALA 34 N 8.26 -0.53 -1.52 5.36 0.00 -1.26 -4.79 120.51 126.03 1ld6 n ALA 34 Ca 0.20 -0.33 -0.52 0.00 0.00 0.00 0.00 53.44 52.79 1ld6 n ALA 34 Cb 0.43 -0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 1ld6 n ALA 34 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ld6 n TYR 35 N -2.74 0.78 -1.82 0.00 4.19 -1.26 -0.98 117.16 115.33 1ld6 n TYR 35 Ca 0.03 0.84 0.00 0.00 3.31 0.00 0.00 57.90 62.08 1ld6 n TYR 35 Cb 0.12 -2.17 0.00 0.00 0.49 0.00 0.00 39.34 37.78 1ld6 n TYR 35 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ld6 n GLY 36 N 1.89 -0.29 3.68 2.98 0.00 -1.26 -4.10 105.19 108.09 1ld6 n GLY 36 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.52 1.02 -0.11 4.61 0.00 -0.15 -3.52 121.76 122.09 1ld6 s ALA 37 Ca 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 51.96 51.46 1ld6 s ALA 37 Cb 0.00 -3.14 0.05 0.00 0.00 0.00 0.00 23.12 20.03 1ld6 s ALA 37 CO 0.00 -2.78 0.54 0.00 0.00 0.00 0.00 175.76 173.52 1ld6 s ALA 39 N -0.57 0.76 -0.21 0.00 0.00 -1.26 -3.95 121.76 116.52 1ld6 s ALA 39 Ca -0.07 -0.75 0.13 0.00 0.00 0.00 0.00 51.96 51.27 1ld6 s ALA 39 Cb -0.03 -2.97 0.44 0.00 0.00 0.00 0.00 23.12 20.57 1ld6 s ALA 39 CO 0.05 -3.30 1.20 0.00 0.00 0.00 0.00 175.76 173.71 1ld6 n ALA 40 N -4.53 3.85 0.00 0.00 0.00 -1.25 -4.86 120.51 113.72 1ld6 n ALA 40 Ca 0.10 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.24 1ld6 n ALA 40 Cb 0.59 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1ld6 n ALA 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ld6 n LYS 41 N -0.75 0.00 0.03 0.00 3.00 -1.26 -4.40 118.16 114.79 1ld6 n LYS 41 Ca 0.24 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.33 1ld6 n LYS 41 Cb 0.84 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.73 1ld6 n LYS 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ld6 h ARG 42 N 0.00 0.32 -4.58 1.64 -0.00 -1.95 -3.41 114.38 106.40 1ld6 h ARG 42 Ca 0.00 -0.55 -0.64 0.00 -0.50 0.00 0.00 59.98 58.29 1ld6 h ARG 42 Cb 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 29.97 30.16 1ld6 h ARG 42 CO 0.00 1.26 2.47 -1.71 0.00 0.00 0.00 179.97 182.00 1ld6 n ASN 43 N -3.56 3.40 -3.25 7.04 2.85 -1.26 -4.70 115.26 115.78 1ld6 n ASN 43 Ca -0.29 -2.77 -0.04 0.00 -0.11 0.00 0.00 54.58 51.37 1ld6 n ASN 43 Cb 1.05 -1.47 -0.03 0.00 1.24 0.00 0.00 39.78 40.57 1ld6 n ASN 43 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1ld6 s ASN 44 N 4.38 -0.63 -0.17 1.20 2.47 -1.26 -3.95 114.94 116.98 1ld6 s ASN 44 Ca 0.54 -0.73 -0.06 0.00 0.42 0.00 0.00 52.86 53.04 1ld6 s ASN 44 Cb 0.11 1.52 -0.04 0.00 -1.45 0.00 0.00 41.25 41.40 1ld6 s ASN 44 CO 0.04 -0.24 0.03 -0.36 -3.72 0.00 0.00 177.10 172.84 1ld6 s PHE 45 N 2.04 3.18 -0.55 0.43 0.08 -0.20 -4.97 117.98 117.99 1ld6 s PHE 45 Ca 0.14 -0.05 0.15 0.00 0.12 0.00 0.00 56.93 57.30 1ld6 s PHE 45 Cb -0.09 -2.03 0.77 0.00 -0.57 0.00 0.00 43.02 41.09 1ld6 s PHE 45 CO -0.13 0.10 1.47 1.17 -0.10 0.00 0.00 175.22 177.73 1ld6 n LYS 46 N 3.49 0.10 -3.74 0.44 4.81 -1.26 -1.44 118.16 120.55 1ld6 n LYS 46 Ca -0.17 0.52 -0.13 0.00 -0.87 0.00 0.00 58.31 57.66 1ld6 n LYS 46 Cb 0.52 -1.77 -0.09 0.00 0.02 0.00 0.00 35.03 33.71 1ld6 n LYS 46 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1ld6 s SER 47 N -3.69 -0.30 0.39 3.14 1.04 -1.26 -4.75 113.70 108.28 1ld6 s SER 47 Ca 0.01 0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.91 1ld6 s SER 47 Cb 0.06 0.52 0.79 0.00 0.10 0.00 0.00 66.02 67.49 1ld6 s SER 47 CO 0.19 -0.31 2.04 0.00 0.98 0.00 0.00 173.24 176.14 1ld6 h ALA 48 N 4.59 1.65 -0.92 5.32 0.00 -1.94 0.15 119.26 128.11 1ld6 h ALA 48 Ca -0.28 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1ld6 h ALA 48 Cb 1.18 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1ld6 h ALA 48 CO 0.34 0.32 0.60 0.93 0.00 0.00 0.00 179.25 181.44 1ld6 h GLU 49 N 0.62 1.22 -0.16 0.00 3.07 -1.97 0.25 114.58 117.61 1ld6 h GLU 49 Ca 0.17 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 1ld6 h GLU 49 Cb -0.05 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 27.58 1ld6 h GLU 49 CO -0.03 0.81 0.03 0.22 -1.40 0.00 0.00 179.01 178.64 1ld6 h ASP 50 N 1.25 0.26 0.29 1.42 3.58 -1.17 0.19 116.42 122.24 1ld6 h ASP 50 Ca 0.34 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1ld6 h ASP 50 Cb -0.13 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.85 1ld6 h ASP 50 CO -0.07 0.45 -0.14 0.00 -2.88 0.00 0.00 179.24 176.60 1ld6 h LEU 52 N -0.43 0.40 -0.49 0.00 3.38 -0.51 1.01 115.31 118.67 1ld6 h LEU 52 Ca -0.04 0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ld6 h LEU 52 Cb 0.33 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1ld6 h LEU 52 CO 0.07 0.26 0.30 -0.09 0.09 0.00 0.00 178.44 179.07 1ld6 h ARG 53 N 0.55 0.59 0.00 1.13 1.12 -0.80 0.69 114.38 117.66 1ld6 h ARG 53 Ca 0.27 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.10 1ld6 h ARG 53 Cb 0.21 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 1ld6 h ARG 53 CO -0.20 0.39 -0.04 1.15 -3.11 0.00 0.00 179.97 178.16 1ld6 h THR 54 N 0.61 0.00 0.00 0.20 2.02 -0.76 -3.41 112.91 111.56 1ld6 h THR 54 Ca 0.19 -0.71 -0.24 0.00 0.77 0.00 0.00 66.41 66.42 1ld6 h THR 54 Cb -0.02 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.36 1ld6 h THR 54 CO -0.07 0.00 -1.33 0.00 0.37 0.00 0.00 175.52 174.49 1ld6 n GLY 56 N 1.44 -2.23 3.69 0.00 0.00 0.23 -4.69 105.19 103.64 1ld6 n GLY 56 Ca -0.08 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1ld6 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ld6 n GLY 57 N 1.22 1.83 0.00 -0.02 0.00 -0.83 -4.90 105.19 102.49 1ld6 n GLY 57 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1ld6 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32