#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hia n GLY 7 N 5.80 -0.34 1.49 0.00 0.00 -1.25 -1.20 105.19 109.69 1hia n GLY 7 Ca 0.29 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1hia n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hia n GLY 8 N -1.72 3.23 3.38 -0.02 0.00 -1.22 -4.99 105.19 103.85 1hia n GLY 8 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1hia n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1hia s GLU 9 N -0.52 1.44 -0.16 1.61 -1.05 -0.34 -4.54 118.70 115.13 1hia s GLU 9 Ca 0.00 -1.65 -0.16 0.00 -0.15 0.00 0.00 54.97 53.01 1hia s GLU 9 Cb 0.00 -1.32 -0.04 0.00 -0.44 0.00 0.00 34.13 32.33 1hia s GLU 9 CO 0.00 0.23 0.40 0.99 0.95 0.00 0.00 175.26 177.83 1hia s THR 10 N -2.83 5.22 0.50 1.83 2.01 -1.26 0.05 115.64 121.16 1hia s THR 10 Ca 0.25 0.75 -0.21 0.00 0.31 0.00 0.00 61.69 62.79 1hia s THR 10 Cb -0.02 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.69 1hia s THR 10 CO 0.09 0.31 1.13 0.00 -0.69 0.00 0.00 174.62 175.47 1hia s SER 12 N -1.62 3.06 0.40 0.00 1.04 -1.26 -4.90 113.70 110.42 1hia s SER 12 Ca 0.68 1.11 0.21 0.00 0.48 0.00 0.00 55.95 58.43 1hia s SER 12 Cb -0.25 -1.74 1.18 0.00 0.10 0.00 0.00 66.02 65.31 1hia s SER 12 CO 0.29 -2.85 1.72 0.00 0.98 0.00 0.00 173.24 173.38 1hia h ALA 13 N -1.70 2.33 -0.84 5.32 0.00 -1.97 -1.82 119.26 120.59 1hia h ALA 13 Ca -0.53 0.09 -0.59 0.00 0.00 0.00 0.00 54.91 53.88 1hia h ALA 13 Cb 1.33 0.08 -0.39 0.00 0.00 0.00 0.00 17.79 18.81 1hia h ALA 13 CO 0.59 -0.81 -0.34 0.00 0.00 0.00 0.00 179.25 178.69 1hia n ALA 14 N -2.47 5.39 -2.38 0.00 0.00 -1.26 -4.97 120.51 114.82 1hia n ALA 14 Ca 0.29 -3.72 -0.20 0.00 0.00 0.00 0.00 53.44 49.81 1hia n ALA 14 Cb 1.03 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 1hia n ALA 14 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1hia s GLN 15 N -3.67 1.42 0.06 0.00 -0.21 -0.68 -2.25 119.66 114.34 1hia s GLN 15 Ca 0.55 -1.66 0.04 0.00 0.02 0.00 0.00 55.36 54.31 1hia s GLN 15 Cb 0.44 -1.21 -0.03 0.00 1.00 0.00 0.00 33.01 33.21 1hia s GLN 15 CO 0.02 0.17 -0.11 0.14 -2.12 0.00 0.00 175.29 173.39 1hia s VAL 16 N -2.92 0.84 -1.03 1.09 -7.23 0.11 -4.78 120.40 106.47 1hia s VAL 16 Ca 0.25 -1.26 -0.18 0.00 -1.81 0.00 0.00 61.98 58.98 1hia s VAL 16 Cb -0.00 -0.91 0.13 0.00 0.56 0.00 0.00 36.38 36.15 1hia s VAL 16 CO 0.09 -0.34 1.28 0.00 -0.31 0.00 0.00 175.10 175.81 1hia s LEU 18 N 2.77 4.43 -0.63 0.00 2.96 0.39 -4.42 118.68 124.18 1hia s LEU 18 Ca 0.38 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.64 1hia s LEU 18 Cb -0.03 -2.68 0.01 0.00 0.50 0.00 0.00 46.19 43.99 1hia s LEU 18 CO -0.06 -1.11 0.66 0.29 -1.32 0.00 0.00 176.35 174.81 1hia n LYS 19 N 6.99 -1.73 -1.91 1.98 5.02 -1.26 -2.83 118.16 124.42 1hia n LYS 19 Ca -0.01 1.63 -0.11 0.00 -2.02 0.00 0.00 58.31 57.79 1hia n LYS 19 Cb 0.47 -5.16 -0.03 0.00 -0.02 0.00 0.00 35.03 30.29 1hia n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hia n GLY 20 N -1.18 0.25 3.21 0.72 0.00 -1.26 -4.91 105.19 102.02 1hia n GLY 20 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1hia n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hia s LYS 21 N -4.03 0.36 0.06 1.61 2.47 -1.13 -3.79 119.74 115.30 1hia s LYS 21 Ca 0.00 0.55 -0.31 0.00 -1.56 0.00 0.00 55.97 54.65 1hia s LYS 21 Cb 0.00 0.09 -0.06 0.00 -1.46 0.00 0.00 37.83 36.40 1hia s LYS 21 CO 0.00 -0.09 1.23 0.00 0.16 0.00 0.00 175.35 176.65 1hia s VAL 23 N 1.12 0.73 0.72 0.00 -7.23 0.29 -4.87 120.40 111.17 1hia s VAL 23 Ca 0.59 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.66 1hia s VAL 23 Cb -0.30 -1.97 0.03 0.00 0.56 0.00 0.00 36.38 34.70 1hia s VAL 23 CO 0.29 -0.61 1.12 0.00 -0.31 0.00 0.00 175.10 175.59 1hia s ASN 25 N -2.72 7.09 0.00 0.00 2.47 -0.95 -4.53 114.94 116.30 1hia s ASN 25 Ca 0.67 1.53 0.00 0.00 0.42 0.00 0.00 52.86 55.48 1hia s ASN 25 Cb -0.21 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1hia s ASN 25 CO 0.47 -0.05 0.00 -0.62 -3.72 0.00 0.00 177.10 173.18 1hia n GLU 26 N 0.45 6.26 -3.04 0.43 1.02 -1.26 -4.65 120.64 119.84 1hia n GLU 26 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.75 1hia n GLU 26 Cb 0.51 -0.50 -0.05 0.00 -0.02 0.00 0.00 31.44 31.38 1hia n GLU 26 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1hia s VAL 27 N -1.00 4.95 0.02 2.62 1.01 -1.26 -5.06 120.40 121.68 1hia s VAL 27 Ca 0.00 1.47 -0.06 0.00 0.00 0.00 0.00 61.98 63.40 1hia s VAL 27 Cb 0.00 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1hia s VAL 27 CO 0.00 0.30 0.10 -1.00 0.00 0.00 0.00 175.10 174.49 1hia s HIS 28 N 0.48 0.14 0.32 5.22 3.76 -1.26 -4.43 115.29 119.51 1hia s HIS 28 Ca 0.37 -0.34 -0.27 0.00 -0.15 0.00 0.00 55.06 54.67 1hia s HIS 28 Cb -0.18 -0.11 -0.09 0.00 1.11 0.00 0.00 32.58 33.30 1hia s HIS 28 CO 0.19 -0.31 0.99 0.00 -0.85 0.00 0.00 174.74 174.76 1hia n ARG 30 N 0.69 0.64 -3.18 0.00 3.00 -1.26 -4.86 116.66 111.70 1hia n ARG 30 Ca 0.01 -0.10 -0.32 0.00 -0.01 0.00 0.00 57.85 57.43 1hia n ARG 30 Cb 0.49 -1.33 -0.06 0.00 0.00 0.00 0.00 32.46 31.56 1hia n ARG 30 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1hia s ILE 31 N 1.10 4.75 -0.28 0.55 2.07 -1.26 -5.05 121.20 123.07 1hia s ILE 31 Ca 0.07 0.80 -0.10 0.00 -1.41 0.00 0.00 60.65 60.01 1hia s ILE 31 Cb 0.03 -3.62 -0.03 0.00 0.13 0.00 0.00 42.46 38.97 1hia s ILE 31 CO 0.00 -0.19 0.15 -0.60 -1.91 0.00 0.00 174.94 172.39 1hia s ARG 32 N -3.03 3.68 -0.14 3.50 3.00 -1.26 -5.06 118.95 119.65 1hia s ARG 32 Ca 0.52 -0.49 -0.08 0.00 -1.00 0.00 0.00 55.73 54.68 1hia s ARG 32 Cb -0.10 -3.55 -0.04 0.00 0.00 0.00 0.00 34.95 31.25 1hia s ARG 32 CO 0.20 -0.26 0.15 0.00 0.00 0.00 0.00 175.30 175.39 1hia h LYS 34 N 5.43 0.33 -0.35 0.00 3.11 -1.99 -2.98 116.57 120.12 1hia h LYS 34 Ca -0.51 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.30 1hia h LYS 34 Cb 1.21 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 1hia h LYS 34 CO 0.63 0.24 0.00 0.66 -2.81 0.00 0.00 179.45 178.17 1hia n TYR 35 N -4.90 0.45 0.00 1.91 4.01 -1.26 -5.09 117.16 112.28 1hia n TYR 35 Ca -0.03 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 1hia n TYR 35 Cb 0.04 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1hia n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hia n GLY 36 N 1.15 0.16 3.80 2.72 0.00 -1.13 -4.68 105.19 107.21 1hia n GLY 36 Ca 0.16 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 1hia n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hia s LEU 37 N -0.92 3.42 0.09 0.99 2.01 -1.26 0.56 118.68 123.57 1hia s LEU 37 Ca 0.00 1.81 -0.30 0.00 0.01 0.00 0.00 54.13 55.64 1hia s LEU 37 Cb 0.00 -4.53 -0.06 0.00 0.01 0.00 0.00 46.19 41.61 1hia s LEU 37 CO 0.00 -1.27 1.15 -0.75 1.01 0.00 0.00 176.35 176.49 1hia s LYS 38 N -4.24 4.49 0.06 1.70 2.20 0.81 -4.19 119.74 120.57 1hia s LYS 38 Ca 0.63 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 1hia s LYS 38 Cb -0.16 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1hia s LYS 38 CO 0.40 -0.15 0.17 0.15 -0.36 0.00 0.00 175.35 175.57 1hia s LYS 39 N 0.63 3.30 0.59 4.03 1.02 -1.26 0.48 119.74 128.53 1hia s LYS 39 Ca 0.55 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 56.07 1hia s LYS 39 Cb -0.29 -2.97 0.11 0.00 -0.52 0.00 0.00 37.83 34.17 1hia s LYS 39 CO 0.31 0.61 0.82 -0.40 -0.92 0.00 0.00 175.35 175.76 1hia n ASP 40 N 0.42 1.29 -0.33 2.83 5.68 -0.61 -4.88 116.55 120.95 1hia n ASP 40 Ca -0.07 -2.04 0.21 0.00 -0.50 0.00 0.00 54.79 52.39 1hia n ASP 40 Cb 0.51 -0.51 0.43 0.00 -1.14 0.00 0.00 41.12 40.41 1hia n ASP 40 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1hia h GLU 41 N 0.00 0.38 0.00 0.11 4.11 -2.00 0.39 114.58 117.58 1hia h GLU 41 Ca -0.27 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1hia h GLU 41 Cb 1.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1hia h GLU 41 CO 0.31 0.25 0.00 0.09 0.07 0.00 0.00 179.01 179.73 1hia n ASN 42 N -5.02 0.00 0.00 3.06 5.03 -1.26 -4.89 115.26 112.19 1hia n ASN 42 Ca 0.29 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 55.20 1hia n ASN 42 Cb 0.88 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 39.49 1hia n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hia n GLY 43 N 1.08 0.57 3.72 7.41 0.00 0.14 -5.03 105.19 113.08 1hia n GLY 43 Ca 0.19 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1hia n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hia s GLU 45 N 0.79 4.51 0.73 0.00 2.02 -1.26 -1.57 118.70 123.92 1hia s GLU 45 Ca 0.39 1.77 -0.16 0.00 0.02 0.00 0.00 54.97 57.00 1hia s GLU 45 Cb -0.18 -3.30 0.03 0.00 0.10 0.00 0.00 34.13 30.78 1hia s GLU 45 CO 0.19 -0.10 1.19 0.66 0.02 0.00 0.00 175.26 177.23 1hia n TYR 46 N 3.03 1.42 -0.24 1.61 4.02 0.18 -4.62 117.16 122.55 1hia n TYR 46 Ca 0.06 0.41 -0.07 0.00 -0.01 0.00 0.00 57.90 58.29 1hia n TYR 46 Cb 0.46 -2.17 0.06 0.00 -0.02 0.00 0.00 39.34 37.68 1hia n TYR 46 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1hia h PRO 47 N -0.22 1.11 -0.52 -0.72 0.13 -1.89 -3.40 132.00 126.49 1hia h PRO 47 Ca -0.48 -0.27 -0.30 0.00 -0.87 0.00 0.00 66.00 64.08 1hia h PRO 47 Cb 1.32 -0.15 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 1hia h PRO 47 CO 0.49 0.98 -0.66 0.00 -0.23 0.00 0.00 178.00 178.59 1hia s SER 49 N -1.68 -0.00 0.39 0.00 0.01 -1.26 -5.04 113.70 106.11 1hia s SER 49 Ca 0.26 0.22 -0.11 0.00 1.31 0.00 0.00 55.95 57.63 1hia s SER 49 Cb 0.34 0.10 -0.07 0.00 0.21 0.00 0.00 66.02 66.61 1hia s SER 49 CO -0.06 -0.15 0.76 0.00 0.41 0.00 0.00 173.24 174.20 1hia s ALA 51 N -2.30 3.56 -1.98 0.00 0.00 0.19 -4.24 121.76 116.99 1hia s ALA 51 Ca 0.51 0.90 0.16 0.00 0.00 0.00 0.00 51.96 53.53 1hia s ALA 51 Cb -0.10 -3.56 0.13 0.00 0.00 0.00 0.00 23.12 19.58 1hia s ALA 51 CO 0.29 -0.80 1.00 0.36 0.00 0.00 0.00 175.76 176.61