#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ld6 n PRO 2 N 0.00 0.71 0.01 -0.14 -0.02 -1.26 -4.87 135.00 129.44 1ld6 n PRO 2 Ca 0.00 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.65 1ld6 n PRO 2 Cb 0.00 -2.37 -0.09 0.00 -0.02 0.00 0.00 33.50 31.03 1ld6 n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1ld6 h ASP 3 N -0.00 -1.49 -0.15 2.55 5.19 -1.99 0.11 116.42 120.64 1ld6 h ASP 3 Ca -0.49 0.17 0.04 0.00 -0.62 0.00 0.00 57.03 56.14 1ld6 h ASP 3 Cb 1.33 0.58 -0.01 0.00 0.18 0.00 0.00 39.33 41.41 1ld6 h ASP 3 CO 0.49 -0.44 0.28 2.19 -3.12 0.00 0.00 179.24 178.64 1ld6 h PHE 4 N -0.54 0.00 0.00 4.55 -5.15 -1.97 0.28 116.94 114.11 1ld6 h PHE 4 Ca 0.02 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.79 1ld6 h PHE 4 Cb 0.61 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.78 1ld6 h PHE 4 CO -0.54 0.00 -0.00 0.00 -2.00 0.00 0.00 178.31 175.77 1ld6 h LEU 6 N 0.00 0.00 -8.97 0.00 3.38 -0.44 -3.36 115.31 105.91 1ld6 h LEU 6 Ca -0.00 -0.03 -0.57 0.00 0.09 0.00 0.00 57.88 57.37 1ld6 h LEU 6 Cb 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1ld6 h LEU 6 CO 0.00 0.02 1.07 -0.70 0.09 0.00 0.00 178.44 178.92 1ld6 s GLU 7 N -3.17 3.79 0.46 1.13 2.56 0.14 -4.84 118.70 118.77 1ld6 s GLU 7 Ca 0.08 1.43 -0.10 0.00 0.00 0.00 0.00 54.97 56.38 1ld6 s GLU 7 Cb 0.10 -3.99 -0.06 0.00 2.00 0.00 0.00 34.13 32.19 1ld6 s GLU 7 CO 0.66 -1.29 0.82 -1.25 -0.56 0.00 0.00 175.26 173.64 1ld6 s PRO 8 N 4.57 3.71 0.81 4.30 0.04 -1.26 -4.81 135.00 142.36 1ld6 s PRO 8 Ca 0.65 0.46 -0.08 0.00 0.04 0.00 0.00 61.00 62.08 1ld6 s PRO 8 Cb -0.21 -2.33 0.14 0.00 0.04 0.00 0.00 34.50 32.14 1ld6 s PRO 8 CO 0.28 -0.16 1.13 -1.25 0.04 0.00 0.00 177.00 177.04 1ld6 s PRO 9 N -4.25 1.39 -0.04 0.56 0.04 -1.26 -5.00 135.00 126.44 1ld6 s PRO 9 Ca 0.51 -0.65 -0.24 0.00 0.04 0.00 0.00 61.00 60.66 1ld6 s PRO 9 Cb -0.10 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.38 1ld6 s PRO 9 CO 0.37 -1.78 0.53 1.52 0.04 0.00 0.00 177.00 177.69 1ld6 s TYR 10 N -3.46 -0.47 -0.30 0.56 1.13 -1.26 -5.08 117.35 108.48 1ld6 s TYR 10 Ca 0.68 0.80 0.01 0.00 -1.41 0.00 0.00 57.07 57.15 1ld6 s TYR 10 Cb -0.06 0.28 0.07 0.00 -1.10 0.00 0.00 41.96 41.15 1ld6 s TYR 10 CO 0.48 -0.51 -0.02 0.00 -2.51 0.00 0.00 175.55 172.98 1ld6 s ALA 11 N -1.21 2.75 0.00 9.51 0.00 -1.26 0.11 121.76 131.66 1ld6 s ALA 11 Ca -0.12 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 49.91 1ld6 s ALA 11 Cb -0.02 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1ld6 s ALA 11 CO 0.07 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 174.90 1ld6 n GLY 12 N 4.48 3.22 3.43 0.00 0.00 0.19 -4.80 105.19 111.71 1ld6 n GLY 12 Ca -0.10 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 3.18 -3.79 4.61 0.00 -1.26 -4.69 120.51 115.56 1ld6 n ALA 13 Ca 0.00 -3.52 -0.09 0.00 0.00 0.00 0.00 53.44 49.83 1ld6 n ALA 13 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 19.45 15.91 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 -2.28 0.49 0.34 0.00 3.52 -1.26 -4.25 118.95 115.51 1ld6 s ARG 15 Ca 0.16 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.30 1ld6 s ARG 15 Cb -0.05 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.39 1ld6 s ARG 15 CO 0.12 -0.88 0.00 0.00 -0.81 0.00 0.00 175.30 173.73 1ld6 n ALA 16 N 5.40 -2.15 -2.68 6.12 0.00 -1.26 -4.96 120.51 120.98 1ld6 n ALA 16 Ca 0.01 0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.83 1ld6 n ALA 16 Cb 0.51 -1.35 0.11 0.00 0.00 0.00 0.00 19.45 18.73 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 0.37 1.61 -0.97 0.00 0.00 -1.26 -5.00 120.51 115.26 1ld6 n ALA 17 Ca 0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 53.44 52.26 1ld6 n ALA 17 Cb 0.00 -0.92 0.11 0.00 0.00 0.00 0.00 19.45 18.64 1ld6 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ld6 n ALA 18 N -0.95 -1.54 -1.24 0.00 0.00 -1.26 -4.17 120.51 111.34 1ld6 n ALA 18 Ca -0.10 -0.67 -0.08 0.00 0.00 0.00 0.00 53.44 52.59 1ld6 n ALA 18 Cb 0.84 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 20.21 1ld6 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ld6 n ALA 19 N -3.84 -0.13 -2.40 0.00 0.00 -1.26 -4.97 120.51 107.91 1ld6 n ALA 19 Ca -0.08 0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1ld6 n ALA 19 Cb 0.25 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.45 1.16 0.16 0.00 0.52 -1.26 -4.70 118.95 112.38 1ld6 s ARG 20 Ca 0.00 -1.45 -0.01 0.00 -0.52 0.00 0.00 55.73 53.75 1ld6 s ARG 20 Cb 0.00 0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.74 1ld6 s ARG 20 CO 0.00 -0.39 0.08 0.71 0.02 0.00 0.00 175.30 175.72 1ld6 s TYR 21 N -4.08 1.00 -0.05 -0.53 1.51 -0.52 -2.85 117.35 111.84 1ld6 s TYR 21 Ca 0.29 -1.28 -0.13 0.00 -1.01 0.00 0.00 57.07 54.94 1ld6 s TYR 21 Cb 0.05 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.40 1ld6 s TYR 21 CO 0.07 -0.55 0.31 -0.59 -1.11 0.00 0.00 175.55 173.68 1ld6 s PHE 22 N -4.07 -0.23 0.00 2.71 -0.12 -0.11 -2.34 117.98 113.83 1ld6 s PHE 22 Ca 0.30 0.45 -0.26 0.00 -0.05 0.00 0.00 56.93 57.37 1ld6 s PHE 22 Cb 0.07 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 1ld6 s PHE 22 CO 0.06 -0.31 0.81 -0.47 -0.05 0.00 0.00 175.22 175.25 1ld6 s TYR 23 N -0.83 3.67 -0.57 3.49 5.04 -1.26 0.22 117.35 127.11 1ld6 s TYR 23 Ca -0.09 1.48 -0.13 0.00 -2.44 0.00 0.00 57.07 55.88 1ld6 s TYR 23 Cb -0.04 -2.90 0.14 0.00 0.35 0.00 0.00 41.96 39.51 1ld6 s TYR 23 CO 0.03 0.15 0.50 1.21 -1.34 0.00 0.00 175.55 176.09 1ld6 s ASN 24 N 0.46 6.12 0.46 4.32 3.84 0.13 -4.67 114.94 125.60 1ld6 s ASN 24 Ca 0.42 -2.00 0.20 0.00 0.21 0.00 0.00 52.86 51.68 1ld6 s ASN 24 Cb -0.20 -2.15 1.17 0.00 -0.55 0.00 0.00 41.25 39.53 1ld6 s ASN 24 CO 0.23 -0.75 1.92 0.00 -2.79 0.00 0.00 177.10 175.70 1ld6 h ALA 25 N 8.53 2.29 -0.04 1.71 0.00 -1.84 0.71 119.26 130.61 1ld6 h ALA 25 Ca -0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ld6 h ALA 25 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ld6 h ALA 25 CO 0.94 -0.50 0.00 1.63 0.00 0.00 0.00 179.25 181.32 1ld6 n LYS 26 N -4.44 1.24 0.00 0.00 5.02 -1.26 -3.78 118.16 114.94 1ld6 n LYS 26 Ca 0.15 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1ld6 n LYS 26 Cb 0.62 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.46 0.28 -0.23 7.82 0.00 0.16 -5.02 120.51 123.06 1ld6 n ALA 27 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1ld6 n ALA 27 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 0.06 0.85 3.49 0.00 0.00 0.20 -4.92 105.19 104.85 1ld6 n GLY 28 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 2.21 0.46 0.99 1.02 -1.24 -4.56 118.68 117.56 1ld6 s LEU 29 Ca 0.00 -1.43 0.04 0.00 0.02 0.00 0.00 54.13 52.76 1ld6 s LEU 29 Cb 0.00 -0.39 0.01 0.00 0.02 0.00 0.00 46.19 45.83 1ld6 s LEU 29 CO 0.00 -0.66 0.65 0.00 0.02 0.00 0.00 176.35 176.36 1ld6 s GLN 31 N -4.51 0.67 0.14 0.00 0.74 0.13 -4.87 119.66 111.96 1ld6 s GLN 31 Ca 0.53 -0.46 -0.30 0.00 0.05 0.00 0.00 55.36 55.19 1ld6 s GLN 31 Cb -0.10 0.28 -0.07 0.00 1.10 0.00 0.00 33.01 34.23 1ld6 s GLN 31 CO 0.36 -0.19 1.07 0.99 -0.55 0.00 0.00 175.29 176.97 1ld6 s THR 32 N -2.03 4.09 1.09 -0.34 2.01 -1.26 -0.94 115.64 118.26 1ld6 s THR 32 Ca -0.09 1.72 -0.12 0.00 0.31 0.00 0.00 61.69 63.51 1ld6 s THR 32 Cb -0.03 -4.10 0.25 0.00 0.01 0.00 0.00 72.50 68.62 1ld6 s THR 32 CO -0.01 0.26 1.06 -0.36 -0.69 0.00 0.00 174.62 174.88 1ld6 s PHE 33 N 0.05 1.43 0.00 4.92 0.08 -1.13 -4.97 117.98 118.36 1ld6 s PHE 33 Ca 0.50 1.36 0.00 0.00 0.12 0.00 0.00 56.93 58.91 1ld6 s PHE 33 Cb -0.28 -3.16 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 1ld6 s PHE 33 CO 0.33 -3.57 0.00 0.00 -0.10 0.00 0.00 175.22 171.87 1ld6 n ALA 34 N -4.73 0.00 -1.67 5.36 0.00 -1.26 -4.58 120.51 113.63 1ld6 n ALA 34 Ca 0.05 0.00 -0.65 0.00 0.00 0.00 0.00 53.44 52.85 1ld6 n ALA 34 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 1.53 -0.25 0.00 4.19 -1.26 -0.39 117.16 120.99 1ld6 n TYR 35 Ca 0.00 1.11 0.00 0.00 3.31 0.00 0.00 57.90 62.32 1ld6 n TYR 35 Cb 0.00 -2.15 0.00 0.00 0.49 0.00 0.00 39.34 37.68 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 3.49 0.00 3.58 2.98 0.00 -1.26 -4.81 105.19 109.18 1ld6 n GLY 36 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.71 2.61 0.29 4.61 0.00 0.48 0.53 121.76 129.57 1ld6 s ALA 37 Ca 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.79 1ld6 s ALA 37 Cb 0.00 -4.11 -0.09 0.00 0.00 0.00 0.00 23.12 18.92 1ld6 s ALA 37 CO 0.00 -3.07 0.84 0.00 0.00 0.00 0.00 175.76 173.53 1ld6 s ALA 39 N -1.64 3.45 0.55 0.00 0.00 -1.26 -4.26 121.76 118.60 1ld6 s ALA 39 Ca 0.48 1.05 -0.04 0.00 0.00 0.00 0.00 51.96 53.45 1ld6 s ALA 39 Cb -0.16 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1ld6 s ALA 39 CO 0.21 -0.39 0.84 0.00 0.00 0.00 0.00 175.76 176.43 1ld6 s ALA 40 N -0.86 3.41 0.00 0.00 0.00 -1.24 -5.04 121.76 118.03 1ld6 s ALA 40 Ca 0.48 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1ld6 s ALA 40 Cb -0.35 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1ld6 s ALA 40 CO 0.44 -0.68 0.86 1.63 0.00 0.00 0.00 175.76 178.01 1ld6 n LYS 41 N -2.45 0.00 0.06 0.00 5.02 -1.26 -4.26 118.16 115.26 1ld6 n LYS 41 Ca 0.04 0.41 -0.21 0.00 -2.02 0.00 0.00 58.31 56.53 1ld6 n LYS 41 Cb 0.57 -1.38 -0.15 0.00 -0.02 0.00 0.00 35.03 34.05 1ld6 n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ld6 h ARG 42 N 0.00 0.33 -4.22 1.97 2.47 -1.96 -3.40 114.38 109.57 1ld6 h ARG 42 Ca 0.00 -0.57 -0.68 0.00 -1.26 0.00 0.00 59.98 57.47 1ld6 h ARG 42 Cb 0.00 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1ld6 h ARG 42 CO 0.00 1.23 2.75 -1.71 0.56 0.00 0.00 179.97 182.80 1ld6 n ASN 43 N -3.53 3.24 -3.25 7.04 2.85 -1.26 -4.67 115.26 115.68 1ld6 n ASN 43 Ca -0.24 -2.77 -0.05 0.00 -0.11 0.00 0.00 54.58 51.42 1ld6 n ASN 43 Cb 1.06 -1.41 -0.03 0.00 1.24 0.00 0.00 39.78 40.64 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 4.04 -0.58 -0.13 1.20 2.47 -1.26 -3.60 114.94 117.08 1ld6 s ASN 44 Ca 0.52 -0.82 -0.04 0.00 0.42 0.00 0.00 52.86 52.94 1ld6 s ASN 44 Cb 0.14 1.49 -0.03 0.00 -1.45 0.00 0.00 41.25 41.40 1ld6 s ASN 44 CO 0.01 -0.24 0.01 -0.36 -3.72 0.00 0.00 177.10 172.81 1ld6 s PHE 45 N 1.96 3.17 -0.41 0.43 0.08 -0.99 -4.98 117.98 117.24 1ld6 s PHE 45 Ca 0.15 0.04 0.18 0.00 0.12 0.00 0.00 56.93 57.42 1ld6 s PHE 45 Cb -0.09 -1.92 0.92 0.00 -0.57 0.00 0.00 43.02 41.36 1ld6 s PHE 45 CO -0.12 0.26 1.54 1.63 -0.10 0.00 0.00 175.22 178.43 1ld6 n LYS 46 N 2.90 0.12 -3.62 0.44 5.02 -1.26 -1.44 118.16 120.32 1ld6 n LYS 46 Ca -0.18 0.57 -0.16 0.00 -2.02 0.00 0.00 58.31 56.53 1ld6 n LYS 46 Cb 0.53 -1.85 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 1ld6 n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ld6 s SER 47 N -3.84 -0.45 0.29 4.39 1.04 -1.26 -4.53 113.70 109.33 1ld6 s SER 47 Ca -0.01 0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.81 1ld6 s SER 47 Cb 0.06 0.45 0.45 0.00 0.10 0.00 0.00 66.02 67.07 1ld6 s SER 47 CO 0.19 -0.57 1.92 0.00 0.98 0.00 0.00 173.24 175.76 1ld6 h ALA 48 N 3.26 1.43 -0.78 5.32 0.00 -1.93 0.35 119.26 126.92 1ld6 h ALA 48 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ld6 h ALA 48 Cb 1.17 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1ld6 h ALA 48 CO 0.40 0.46 0.50 1.49 0.00 0.00 0.00 179.25 182.10 1ld6 h GLU 49 N 1.13 1.04 -0.39 0.00 4.81 -1.97 0.30 114.58 119.50 1ld6 h GLU 49 Ca 0.38 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.45 1ld6 h GLU 49 Cb 0.06 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1ld6 h GLU 49 CO -0.12 0.70 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.34 1ld6 h ASP 50 N 1.06 0.74 0.80 1.04 3.32 -0.93 0.35 116.42 122.81 1ld6 h ASP 50 Ca 0.28 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1ld6 h ASP 50 Cb -0.09 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.27 1ld6 h ASP 50 CO -0.06 0.92 -0.39 0.00 -1.72 0.00 0.00 179.24 178.00 1ld6 h LEU 52 N -1.27 0.58 0.12 0.00 3.38 -0.50 1.55 115.31 119.17 1ld6 h LEU 52 Ca -0.11 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ld6 h LEU 52 Cb 0.83 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1ld6 h LEU 52 CO 0.18 0.26 -0.09 0.03 0.09 0.00 0.00 178.44 178.91 1ld6 h ARG 53 N 0.67 -0.21 0.00 1.13 2.47 -0.85 0.65 114.38 118.23 1ld6 h ARG 53 Ca 0.46 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 59.20 1ld6 h ARG 53 Cb 0.62 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1ld6 h ARG 53 CO -0.34 -0.14 -0.00 1.15 0.56 0.00 0.00 179.97 181.19 1ld6 h THR 54 N -0.22 0.01 -0.09 2.04 2.02 -0.62 -3.39 112.91 112.67 1ld6 h THR 54 Ca -0.00 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.13 1ld6 h THR 54 Cb 0.20 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1ld6 h THR 54 CO -0.01 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.81 1ld6 n GLY 56 N 0.19 -0.07 3.86 0.00 0.00 0.23 -4.33 105.19 105.07 1ld6 n GLY 56 Ca -0.07 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 0.27 3.55 -0.02 0.00 -1.26 -4.90 105.19 102.84 1ld6 n GLY 57 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1ld6 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32