#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dd3 h THR 2 N 0.00 1.20 -0.49 2.03 2.02 -2.06 -1.80 112.91 113.81 1dd3 h THR 2 Ca 0.00 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1dd3 h THR 2 Cb 0.00 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1dd3 h THR 2 CO 0.00 0.22 0.15 0.16 0.37 0.00 0.00 175.52 176.43 1dd3 h ILE 3 N 0.84 1.20 -0.61 3.11 3.07 -2.05 -1.54 117.51 121.52 1dd3 h ILE 3 Ca 0.22 -0.68 -0.03 0.00 1.55 0.00 0.00 64.86 65.92 1dd3 h ILE 3 Cb 0.06 0.66 -0.03 0.00 -0.27 0.00 0.00 36.82 37.24 1dd3 h ILE 3 CO -0.03 0.26 0.25 0.44 -1.05 0.00 0.00 178.15 178.02 1dd3 h ASP 4 N 0.72 0.80 -0.73 2.16 3.45 -1.86 0.60 116.42 121.56 1dd3 h ASP 4 Ca 0.17 -0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.48 1dd3 h ASP 4 Cb 0.21 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 1dd3 h ASP 4 CO -0.01 0.72 0.30 -0.33 -1.57 0.00 0.00 179.24 178.35 1dd3 h GLU 5 N 0.87 1.09 -0.06 3.56 4.39 -0.46 -0.67 114.58 123.31 1dd3 h GLU 5 Ca 0.21 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1dd3 h GLU 5 Cb 0.16 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1dd3 h GLU 5 CO -0.02 0.88 -0.10 0.82 -1.16 0.00 0.00 179.01 179.43 1dd3 h ILE 6 N 1.07 1.41 0.08 3.13 2.04 -0.84 -2.70 117.51 121.69 1dd3 h ILE 6 Ca 0.25 -1.37 0.02 0.00 1.00 0.00 0.00 64.86 64.76 1dd3 h ILE 6 Cb 0.19 2.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 1dd3 h ILE 6 CO -0.02 0.38 -0.27 0.40 0.00 0.00 0.00 178.15 178.63 1dd3 h ILE 7 N -0.30 0.40 -0.73 -0.67 2.04 -0.71 0.81 117.51 118.36 1dd3 h ILE 7 Ca 0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.03 1dd3 h ILE 7 Cb 0.67 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1dd3 h ILE 7 CO 0.02 0.00 0.49 -0.33 0.00 0.00 0.00 178.15 178.34 1dd3 h GLU 8 N -0.46 0.29 -0.26 2.37 5.08 -1.20 0.11 114.58 120.51 1dd3 h GLU 8 Ca 0.04 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 1dd3 h GLU 8 Cb 0.51 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1dd3 h GLU 8 CO -0.19 0.19 -0.55 0.00 -1.00 0.00 0.00 179.01 177.46 1dd3 h ALA 9 N 1.66 0.53 -0.04 3.43 0.00 -0.84 -3.15 119.26 120.84 1dd3 h ALA 9 Ca 0.36 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1dd3 h ALA 9 Cb 0.96 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1dd3 h ALA 9 CO -0.09 0.68 -0.02 0.82 0.00 0.00 0.00 179.25 180.64 1dd3 h ILE 10 N 0.60 1.33 0.00 0.00 2.04 0.14 -3.04 117.51 118.58 1dd3 h ILE 10 Ca 0.01 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1dd3 h ILE 10 Cb 1.14 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1dd3 h ILE 10 CO 0.12 0.28 0.00 -1.84 0.00 0.00 0.00 178.15 176.71 1dd3 n GLU 11 N -4.81 0.05 0.11 2.37 0.28 0.03 -1.03 120.64 117.64 1dd3 n GLU 11 Ca -0.08 0.42 0.05 0.00 -0.16 0.00 0.00 57.16 57.40 1dd3 n GLU 11 Cb 0.24 -1.62 0.01 0.00 1.43 0.00 0.00 31.44 31.51 1dd3 n GLU 11 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1dd3 h LYS 12 N 0.00 0.00 -7.14 3.44 1.57 -1.49 -3.46 116.57 109.49 1dd3 h LYS 12 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1dd3 h LYS 12 Cb 0.14 0.00 0.17 0.00 0.08 0.00 0.00 32.23 32.62 1dd3 h LYS 12 CO 0.00 0.25 0.43 1.28 -0.57 0.00 0.00 179.45 180.85 1dd3 n LEU 13 N -3.00 5.36 -4.94 2.94 4.77 -0.20 -5.01 117.00 116.91 1dd3 n LEU 13 Ca -0.01 0.73 -0.26 0.00 -0.03 0.00 0.00 56.01 56.43 1dd3 n LEU 13 Cb 0.69 -1.54 0.11 0.00 -2.33 0.00 0.00 43.42 40.36 1dd3 n LEU 13 CO 0.40 -1.30 0.68 0.42 -1.33 0.00 0.00 177.39 176.26 1dd3 s THR 14 N -1.69 2.16 0.31 -5.08 -4.23 -1.26 -4.82 115.64 101.02 1dd3 s THR 14 Ca 0.79 -0.27 0.04 0.00 -1.18 0.00 0.00 61.69 61.07 1dd3 s THR 14 Cb -0.34 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 70.71 1dd3 s THR 14 CO 0.45 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.90 1dd3 h VAL 15 N -0.88 1.24 -0.41 2.29 2.07 -1.98 -0.21 116.25 118.37 1dd3 h VAL 15 Ca -0.43 -1.07 -0.14 0.00 0.82 0.00 0.00 66.70 65.88 1dd3 h VAL 15 Cb 1.28 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1dd3 h VAL 15 CO 0.50 0.35 -0.31 0.28 0.02 0.00 0.00 177.57 178.40 1dd3 h SER 16 N 0.41 0.96 -0.44 0.57 0.02 -1.99 -1.96 113.55 111.13 1dd3 h SER 16 Ca 0.07 -0.40 -0.08 0.00 -0.84 0.00 0.00 61.79 60.54 1dd3 h SER 16 Cb 0.54 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1dd3 h SER 16 CO 0.03 1.19 -0.05 -0.33 -1.14 0.00 0.00 176.83 176.53 1dd3 h GLU 17 N 0.77 0.81 -0.75 3.45 5.08 -1.81 -2.52 114.58 119.59 1dd3 h GLU 17 Ca 0.08 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1dd3 h GLU 17 Cb 0.89 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 1dd3 h GLU 17 CO 0.08 0.90 0.48 1.25 -1.00 0.00 0.00 179.01 180.72 1dd3 h LEU 18 N 0.64 0.89 -1.81 1.33 7.12 -1.01 0.09 115.31 122.56 1dd3 h LEU 18 Ca 0.12 -0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 1dd3 h LEU 18 Cb 0.57 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.47 1dd3 h LEU 18 CO 0.03 0.67 -0.03 0.00 -0.13 0.00 0.00 178.44 178.98 1dd3 h ALA 19 N 1.26 1.85 0.07 1.25 0.00 -1.19 -0.86 119.26 121.64 1dd3 h ALA 19 Ca 0.27 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 1dd3 h ALA 19 Cb -0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1dd3 h ALA 19 CO -0.06 0.12 -1.21 1.49 0.00 0.00 0.00 179.25 179.59 1dd3 h GLU 20 N 0.07 0.14 -0.38 0.00 4.81 -0.85 -2.13 114.58 116.24 1dd3 h GLU 20 Ca 0.02 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1dd3 h GLU 20 Cb 0.11 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1dd3 h GLU 20 CO 0.00 1.07 0.13 1.25 -0.73 0.00 0.00 179.01 180.74 1dd3 h LEU 21 N 0.04 0.54 -0.47 1.64 5.85 -0.25 -2.69 115.31 119.97 1dd3 h LEU 21 Ca -0.11 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 1dd3 h LEU 21 Cb 1.90 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.77 1dd3 h LEU 21 CO 0.16 0.58 0.03 0.58 -0.34 0.00 0.00 178.44 179.45 1dd3 h VAL 22 N 0.46 1.26 0.26 1.05 2.07 -1.20 -1.75 116.25 118.40 1dd3 h VAL 22 Ca 0.12 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1dd3 h VAL 22 Cb 0.22 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1dd3 h VAL 22 CO -0.01 0.35 -0.13 0.07 0.02 0.00 0.00 177.57 177.88 1dd3 h LYS 23 N 0.67 -0.34 -0.31 1.57 2.10 -1.39 -1.00 116.57 117.87 1dd3 h LYS 23 Ca 0.14 0.02 0.07 0.00 -2.00 0.00 0.00 60.65 58.88 1dd3 h LYS 23 Cb 0.47 0.08 -0.07 0.00 -0.90 0.00 0.00 32.23 31.80 1dd3 h LYS 23 CO 0.02 -0.16 -0.18 0.87 -2.00 0.00 0.00 179.45 177.99 1dd3 h LYS 24 N -0.44 -0.14 -0.23 0.07 1.57 -1.44 1.52 116.57 117.47 1dd3 h LYS 24 Ca -0.04 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1dd3 h LYS 24 Cb 0.33 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1dd3 h LYS 24 CO 0.06 -0.09 0.05 -0.07 -0.57 0.00 0.00 179.45 178.83 1dd3 h LEU 25 N -0.14 0.03 -1.06 2.94 3.38 -1.22 0.36 115.31 119.60 1dd3 h LEU 25 Ca 0.16 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1dd3 h LEU 25 Cb 0.39 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1dd3 h LEU 25 CO -0.40 0.05 -0.32 -0.33 0.09 0.00 0.00 178.44 177.52 1dd3 h GLU 26 N 0.15 0.26 -0.05 1.13 5.08 -0.40 -2.38 114.58 118.37 1dd3 h GLU 26 Ca 0.10 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1dd3 h GLU 26 Cb 0.09 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1dd3 h GLU 26 CO -0.13 0.56 0.00 0.22 -1.00 0.00 0.00 179.01 178.66 1dd3 h ASP 27 N 0.23 0.08 0.37 1.42 -0.00 0.31 0.19 116.42 119.01 1dd3 h ASP 27 Ca 0.03 -0.28 0.00 0.00 -0.00 0.00 0.00 57.03 56.78 1dd3 h ASP 27 Cb 0.69 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 40.00 1dd3 h ASP 27 CO 0.05 0.34 0.00 1.17 -0.00 0.00 0.00 179.24 180.80 1dd3 n LYS 28 N -4.90 0.08 -0.73 0.28 4.81 0.12 -2.75 118.16 115.07 1dd3 n LYS 28 Ca -0.07 0.22 0.06 0.00 -0.87 0.00 0.00 58.31 57.65 1dd3 n LYS 28 Cb 0.17 -1.50 0.17 0.00 0.02 0.00 0.00 35.03 33.89 1dd3 n LYS 28 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1dd3 n PHE 29 N -1.41 0.00 -3.77 5.64 3.01 -0.92 -4.99 117.46 115.02 1dd3 n PHE 29 Ca 0.05 -1.30 -0.24 0.00 1.01 0.00 0.00 57.45 56.96 1dd3 n PHE 29 Cb 0.13 -0.23 0.03 0.00 -0.01 0.00 0.00 39.48 39.41 1dd3 n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dd3 n GLY 30 N -0.85 -0.37 3.80 1.37 0.00 -1.11 -4.97 105.19 103.07 1dd3 n GLY 30 Ca 0.17 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 1dd3 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dd3 s VAL 31 N -3.54 4.46 0.00 1.61 1.01 0.65 -5.05 120.40 119.54 1dd3 s VAL 31 Ca 0.25 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1dd3 s VAL 31 Cb -0.12 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1dd3 s VAL 31 CO 0.82 0.22 0.19 0.35 0.00 0.00 0.00 175.10 176.68