#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mia s GLU 2 N 0.00 3.54 -0.06 2.12 2.02 -1.26 -5.07 118.70 119.99 3mia s GLU 2 Ca 0.00 -0.54 -0.36 0.00 0.02 0.00 0.00 54.97 54.09 3mia s GLU 2 Cb 0.00 -3.23 -0.13 0.00 0.10 0.00 0.00 34.13 30.86 3mia s GLU 2 CO 0.00 -0.21 1.75 -2.30 0.02 0.00 0.00 175.26 174.52 3mia n PRO 3 N 4.88 1.88 -5.10 0.39 -0.02 -1.26 -5.01 135.00 130.77 3mia n PRO 3 Ca -0.17 0.69 -0.32 0.00 -2.02 0.00 0.00 63.50 61.68 3mia n PRO 3 Cb 0.51 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 3mia n PRO 3 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mia s VAL 4 N 3.05 2.41 -0.09 -1.45 1.01 -1.26 -5.08 120.40 118.99 3mia s VAL 4 Ca 0.90 -0.92 -0.32 0.00 0.00 0.00 0.00 61.98 61.64 3mia s VAL 4 Cb -0.79 -1.93 -0.10 0.00 0.00 0.00 0.00 36.38 33.56 3mia s VAL 4 CO 0.51 0.56 1.97 -0.67 0.00 0.00 0.00 175.10 177.48 3mia n ASP 5 N 3.14 3.56 0.25 3.32 -0.08 -1.26 -4.83 116.55 120.65 3mia n ASP 5 Ca -0.18 0.82 0.13 0.00 -1.51 0.00 0.00 54.79 54.05 3mia n ASP 5 Cb 0.52 -1.43 0.62 0.00 2.34 0.00 0.00 41.12 43.17 3mia n ASP 5 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3mia h PRO 6 N 10.57 0.00 0.00 -0.67 0.11 -2.02 -2.87 132.00 137.12 3mia h PRO 6 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3mia h PRO 6 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3mia h PRO 6 CO 0.95 0.14 -0.04 0.00 -0.21 0.00 0.00 178.00 178.84 3mia h ARG 7 N 0.00 0.00 -6.82 1.05 3.08 -2.05 -3.43 114.38 106.21 3mia h ARG 7 Ca -0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3mia h ARG 7 Cb 0.55 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.62 3mia h ARG 7 CO 0.02 0.04 0.49 -0.51 -1.07 0.00 0.00 179.97 178.95 3mia s LEU 8 N -6.71 4.52 0.60 3.04 1.43 -1.08 -5.01 118.68 115.46 3mia s LEU 8 Ca -0.03 2.32 -0.16 0.00 -1.03 0.00 0.00 54.13 55.22 3mia s LEU 8 Cb 0.12 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 3mia s LEU 8 CO 0.51 -0.21 1.09 -1.61 0.23 0.00 0.00 176.35 176.37 3mia s GLU 9 N -1.53 3.14 0.26 1.70 0.41 -1.26 -4.87 118.70 116.54 3mia s GLU 9 Ca 0.46 1.37 -0.06 0.00 -0.41 0.00 0.00 54.97 56.33 3mia s GLU 9 Cb -0.33 -2.00 0.46 0.00 -1.78 0.00 0.00 34.13 30.48 3mia s GLU 9 CO 0.42 -0.97 1.40 -2.30 -0.49 0.00 0.00 175.26 173.32 3mia n PRO 10 N -1.97 -0.08 0.27 0.39 -0.02 -1.26 -0.00 135.00 132.32 3mia n PRO 10 Ca 0.10 1.39 0.16 0.00 -2.02 0.00 0.00 63.50 63.13 3mia n PRO 10 Cb 0.52 -2.10 0.60 0.00 -0.02 0.00 0.00 33.50 32.50 3mia n PRO 10 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3mia h TRP 11 N 0.00 0.00 -0.33 6.00 0.09 -2.04 -2.89 115.95 116.77 3mia h TRP 11 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.43 3mia h TRP 11 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.97 3mia h TRP 11 CO -0.65 0.01 0.00 1.63 0.09 0.00 0.00 178.44 179.52 3mia n LYS 12 N -3.11 1.82 -3.26 0.12 4.76 1.00 -4.89 118.16 114.59 3mia n LYS 12 Ca 0.01 -1.26 -0.38 0.00 -2.87 0.00 0.00 58.31 53.80 3mia n LYS 12 Cb 0.34 -1.30 -0.06 0.00 -1.84 0.00 0.00 35.03 32.18 3mia n LYS 12 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3mia s HIS 13 N -1.56 3.56 0.67 2.13 3.76 -1.10 -4.85 115.29 117.90 3mia s HIS 13 Ca 0.25 1.00 -0.17 0.00 -0.15 0.00 0.00 55.06 55.99 3mia s HIS 13 Cb 0.13 -2.59 -0.00 0.00 1.11 0.00 0.00 32.58 31.23 3mia s HIS 13 CO 0.18 0.20 1.22 -0.35 -0.85 0.00 0.00 174.74 175.14 3mia n PRO 14 N 3.47 0.92 -2.15 8.40 -0.04 -1.26 -4.97 135.00 139.37 3mia n PRO 14 Ca -0.06 0.37 -0.38 0.00 -0.04 0.00 0.00 63.50 63.39 3mia n PRO 14 Cb 0.51 -2.46 -0.00 0.00 -0.04 0.00 0.00 33.50 31.52 3mia n PRO 14 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3mia s GLY 15 N -1.48 2.84 0.26 0.55 0.00 -1.26 -4.94 107.32 103.28 3mia s GLY 15 Ca 0.80 1.06 0.01 0.00 0.00 0.00 0.00 44.72 46.59 3mia s GLY 15 CO 0.43 1.56 1.68 1.48 0.00 0.00 0.00 173.10 178.24 3mia h SER 16 N 2.18 0.53 -0.71 1.64 4.64 -2.05 -3.46 113.55 116.32 3mia h SER 16 Ca -0.49 -0.20 -0.62 0.00 -0.47 0.00 0.00 61.79 60.01 3mia h SER 16 Cb 1.25 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3mia h SER 16 CO 0.61 0.80 0.45 1.67 -0.87 0.00 0.00 176.83 179.49 3mia n GLN 17 N -4.09 0.00 -2.15 4.77 7.27 -1.26 -4.85 117.38 117.06 3mia n GLN 17 Ca -0.01 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.65 3mia n GLN 17 Cb 0.44 -1.06 -0.02 0.00 2.41 0.00 0.00 30.24 32.01 3mia n GLN 17 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3mia s PRO 18 N 1.94 4.38 0.28 3.69 0.04 -1.26 -4.93 135.00 139.14 3mia s PRO 18 Ca 0.74 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.94 3mia s PRO 18 Cb -1.05 -3.10 0.64 0.00 0.04 0.00 0.00 34.50 31.03 3mia s PRO 18 CO 0.57 -0.18 1.66 0.87 0.04 0.00 0.00 177.00 179.96 3mia h LYS 19 N 3.84 0.24 -6.29 4.56 1.79 -1.97 -3.42 116.57 115.32 3mia h LYS 19 Ca -0.48 -0.01 -0.58 0.00 -2.18 0.00 0.00 60.65 57.39 3mia h LYS 19 Cb 1.22 -0.05 -0.10 0.00 -1.58 0.00 0.00 32.23 31.72 3mia h LYS 19 CO 0.68 0.16 -0.64 0.95 -1.08 0.00 0.00 179.45 179.52 3mia s THR 20 N -5.96 3.73 0.87 -0.16 -4.23 -1.26 -5.11 115.64 103.52 3mia s THR 20 Ca -0.12 -1.54 -0.10 0.00 -1.18 0.00 0.00 61.69 58.74 3mia s THR 20 Cb 0.25 -2.92 0.12 0.00 1.34 0.00 0.00 72.50 71.29 3mia s THR 20 CO 0.77 -0.20 1.14 0.00 -0.54 0.00 0.00 174.62 175.79 3mia s ALA 21 N -1.91 1.67 -0.13 3.99 0.00 -1.26 -4.96 121.76 119.15 3mia s ALA 21 Ca 0.29 0.54 -0.23 0.00 0.00 0.00 0.00 51.96 52.56 3mia s ALA 21 Cb -0.08 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3mia s ALA 21 CO 0.20 -2.51 0.72 0.00 0.00 0.00 0.00 175.76 174.16 3mia s THR 23 N 1.48 2.49 -2.68 0.00 -4.23 -1.26 -5.01 115.64 106.43 3mia s THR 23 Ca 0.35 -0.52 0.23 0.00 -1.18 0.00 0.00 61.69 60.57 3mia s THR 23 Cb -0.17 -2.97 0.13 0.00 1.34 0.00 0.00 72.50 70.84 3mia s THR 23 CO 0.14 0.00 1.20 -3.20 -0.54 0.00 0.00 174.62 172.22 3mia n ASN 24 N -2.58 2.70 -4.72 3.99 4.05 -1.26 -4.96 115.26 112.48 3mia n ASN 24 Ca 0.09 -1.85 -0.42 0.00 0.45 0.00 0.00 54.58 52.84 3mia n ASN 24 Cb 0.60 0.13 -0.03 0.00 1.23 0.00 0.00 39.78 41.71 3mia n ASN 24 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3mia s TYR 26 N 1.13 3.20 0.00 0.00 1.51 -1.26 -4.46 117.35 117.46 3mia s TYR 26 Ca 0.68 -0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.72 3mia s TYR 26 Cb -0.41 -2.30 0.00 0.00 -0.11 0.00 0.00 41.96 39.14 3mia s TYR 26 CO 0.31 -0.16 0.00 0.00 -1.11 0.00 0.00 175.55 174.59 3mia n LYS 28 N -0.06 -0.03 -0.01 0.00 4.81 -1.26 0.33 118.16 121.94 3mia n LYS 28 Ca 0.00 0.79 -0.15 0.00 -0.87 0.00 0.00 58.31 58.08 3mia n LYS 28 Cb 0.00 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.41 3mia n LYS 28 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3mia n LYS 29 N -4.05 0.70 0.17 1.64 5.02 -1.26 -3.44 118.16 116.94 3mia n LYS 29 Ca 0.24 0.28 0.13 0.00 -2.02 0.00 0.00 58.31 56.94 3mia n LYS 29 Cb 0.89 -1.75 0.35 0.00 -0.02 0.00 0.00 35.03 34.50 3mia n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mia n PHE 32 N -2.21 0.65 0.32 0.00 3.72 -1.03 -2.48 117.46 116.43 3mia n PHE 32 Ca 0.05 -1.44 -0.12 0.00 -0.05 0.00 0.00 57.45 55.88 3mia n PHE 32 Cb 0.43 -0.37 -0.06 0.00 -0.94 0.00 0.00 39.48 38.55 3mia n PHE 32 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3mia h HIS 33 N 0.98 -0.75 -2.07 1.38 -0.00 -1.58 -3.48 115.15 109.63 3mia h HIS 33 Ca 0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 3mia h HIS 33 Cb 1.38 0.25 0.00 0.00 -0.00 0.00 0.00 27.41 29.04 3mia h HIS 33 CO 0.80 -0.47 0.00 0.00 -0.00 0.00 0.00 177.93 178.26 3mia n GLN 35 N 0.00 0.13 0.01 0.00 -0.06 -1.26 -2.75 117.38 113.44 3mia n GLN 35 Ca 0.00 0.08 -0.21 0.00 -2.00 0.00 0.00 57.00 54.87 3mia n GLN 35 Cb 0.00 -1.62 -0.14 0.00 -4.06 0.00 0.00 30.24 24.42 3mia n GLN 35 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3mia h VAL 36 N 0.00 0.65 0.00 1.69 2.07 -1.96 -3.14 116.25 115.56 3mia h VAL 36 Ca 0.00 -2.36 -0.07 0.00 0.82 0.00 0.00 66.70 65.09 3mia h VAL 36 Cb 0.61 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 3mia h VAL 36 CO 0.00 0.89 -0.32 0.00 0.02 0.00 0.00 177.57 178.16 3mia h PHE 38 N 0.00 0.95 -0.15 0.00 3.57 -1.29 -0.26 116.94 119.76 3mia h PHE 38 Ca -0.00 -0.69 -0.11 0.00 3.53 0.00 0.00 57.97 60.69 3mia h PHE 38 Cb 0.74 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.44 3mia h PHE 38 CO 0.00 1.54 -0.35 0.82 -2.23 0.00 0.00 178.31 178.09 3mia h ILE 39 N 0.14 1.36 0.03 1.41 1.08 -1.47 -2.73 117.51 117.33 3mia h ILE 39 Ca -0.25 -1.63 -0.00 0.00 -0.39 0.00 0.00 64.86 62.59 3mia h ILE 39 Cb 2.16 2.02 0.00 0.00 -3.07 0.00 0.00 36.82 37.93 3mia h ILE 39 CO 0.27 0.49 -0.02 0.71 -0.69 0.00 0.00 178.15 178.92 3mia h THR 40 N 0.12 0.69 0.20 -0.27 1.35 -1.02 -1.73 112.91 112.26 3mia h THR 40 Ca -0.00 -1.44 -0.01 0.00 -0.55 0.00 0.00 66.41 64.40 3mia h THR 40 Cb 0.96 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3mia h THR 40 CO 0.08 0.23 -0.10 0.11 -0.25 0.00 0.00 175.52 175.59 3mia h LYS 41 N -0.99 -0.26 -0.64 4.72 1.57 -1.20 -0.33 116.57 119.44 3mia h LYS 41 Ca -0.00 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3mia h LYS 41 Cb 0.41 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3mia h LYS 41 CO 0.01 -0.18 0.24 0.00 -0.57 0.00 0.00 179.45 178.95 3mia h ALA 42 N -1.81 0.83 -0.02 3.86 0.00 -1.54 -3.21 119.26 117.37 3mia h ALA 42 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3mia h ALA 42 Cb 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3mia h ALA 42 CO 0.05 0.46 -0.41 1.28 0.00 0.00 0.00 179.25 180.63 3mia n LEU 43 N -4.41 2.17 -3.61 0.00 4.77 -1.04 -5.01 117.00 109.87 3mia n LEU 43 Ca 0.04 -0.79 -0.21 0.00 -0.03 0.00 0.00 56.01 55.02 3mia n LEU 43 Cb 0.18 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.33 3mia n LEU 43 CO 0.40 0.40 0.06 0.61 -1.33 0.00 0.00 177.39 177.52 3mia n GLY 44 N 1.40 -0.37 3.51 -0.72 0.00 -0.15 -4.96 105.19 103.90 3mia n GLY 44 Ca 0.10 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3mia n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mia s ILE 45 N -3.47 3.39 -0.05 -0.61 1.01 -0.66 -4.98 121.20 115.83 3mia s ILE 45 Ca 0.16 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 3mia s ILE 45 Cb -0.07 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 40.04 3mia s ILE 45 CO 0.77 0.58 0.26 -0.94 0.00 0.00 0.00 174.94 175.61 3mia s SER 46 N -0.55 -0.18 0.02 3.58 1.04 -1.26 -3.76 113.70 112.59 3mia s SER 46 Ca 0.08 0.21 0.11 0.00 0.48 0.00 0.00 55.95 56.82 3mia s SER 46 Cb -0.12 0.39 -0.22 0.00 0.10 0.00 0.00 66.02 66.18 3mia s SER 46 CO 0.02 -0.30 0.89 0.10 0.98 0.00 0.00 173.24 174.93 3mia h TYR 47 N 4.65 0.00 0.00 5.02 -0.00 -2.02 -3.53 116.97 121.09 3mia h TYR 47 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.45 3mia h TYR 47 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 3mia h TYR 47 CO 0.49 0.99 0.00 0.41 -0.00 0.00 0.00 178.16 180.05