#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dd4 h THR 2 N 0.00 0.71 -0.56 2.03 2.02 -2.06 -1.29 112.91 113.75 1dd4 h THR 2 Ca 0.00 -0.02 0.12 0.00 0.77 0.00 0.00 66.41 67.28 1dd4 h THR 2 Cb 0.00 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1dd4 h THR 2 CO 0.00 0.01 0.39 0.16 0.37 0.00 0.00 175.52 176.45 1dd4 h ILE 3 N 0.07 0.83 -0.19 3.11 3.07 -2.05 0.21 117.51 122.56 1dd4 h ILE 3 Ca 0.18 -0.08 -0.10 0.00 1.55 0.00 0.00 64.86 66.40 1dd4 h ILE 3 Cb 0.25 0.57 -0.01 0.00 -0.27 0.00 0.00 36.82 37.36 1dd4 h ILE 3 CO -0.32 0.04 -0.32 0.44 -1.05 0.00 0.00 178.15 176.94 1dd4 h ASP 4 N 0.24 0.39 -0.66 2.16 3.32 -1.66 0.22 116.42 120.43 1dd4 h ASP 4 Ca 0.27 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1dd4 h ASP 4 Cb 0.73 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1dd4 h ASP 4 CO -0.05 0.70 0.12 -0.33 -1.72 0.00 0.00 179.24 177.95 1dd4 h GLU 5 N 0.33 1.08 -0.25 3.56 4.39 -0.30 0.78 114.58 124.18 1dd4 h GLU 5 Ca 0.04 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.35 1dd4 h GLU 5 Cb 0.73 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1dd4 h GLU 5 CO 0.06 0.99 -0.26 0.82 -1.16 0.00 0.00 179.01 179.46 1dd4 h ILE 6 N 1.00 1.31 -0.12 3.13 2.04 -1.07 -0.88 117.51 122.93 1dd4 h ILE 6 Ca 0.20 -1.43 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 1dd4 h ILE 6 Cb 0.42 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1dd4 h ILE 6 CO 0.01 0.45 -0.12 0.40 0.00 0.00 0.00 178.15 178.89 1dd4 h ILE 7 N 0.32 1.15 -0.01 -0.67 2.04 -0.33 0.13 117.51 120.15 1dd4 h ILE 7 Ca 0.04 -0.68 -0.19 0.00 1.00 0.00 0.00 64.86 65.03 1dd4 h ILE 7 Cb 0.82 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1dd4 h ILE 7 CO 0.06 0.21 -0.82 -0.33 0.00 0.00 0.00 178.15 177.27 1dd4 h GLU 8 N 0.17 0.19 -0.01 2.37 5.08 -0.66 -1.49 114.58 120.23 1dd4 h GLU 8 Ca 0.04 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 1dd4 h GLU 8 Cb 0.33 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1dd4 h GLU 8 CO 0.02 0.91 -0.71 0.00 -1.00 0.00 0.00 179.01 178.22 1dd4 h ALA 9 N 1.03 0.81 -0.02 3.43 0.00 -0.14 -2.89 119.26 121.47 1dd4 h ALA 9 Ca -0.03 -0.64 -0.15 0.00 0.00 0.00 0.00 54.91 54.08 1dd4 h ALA 9 Cb 1.43 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1dd4 h ALA 9 CO 0.12 0.87 -0.58 0.82 0.00 0.00 0.00 179.25 180.48 1dd4 h ILE 10 N 0.03 1.41 -0.49 0.00 2.04 -0.72 -3.18 117.51 116.60 1dd4 h ILE 10 Ca -0.01 -2.02 0.10 0.00 1.00 0.00 0.00 64.86 63.93 1dd4 h ILE 10 Cb 1.26 2.50 -0.03 0.00 -0.74 0.00 0.00 36.82 39.81 1dd4 h ILE 10 CO 0.10 0.59 0.34 -0.33 0.00 0.00 0.00 178.15 178.85 1dd4 h GLU 11 N -0.05 0.23 0.00 2.37 5.08 -1.26 -1.50 114.58 119.46 1dd4 h GLU 11 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1dd4 h GLU 11 Cb 1.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1dd4 h GLU 11 CO 0.12 0.16 -0.05 0.87 -1.00 0.00 0.00 179.01 179.10 1dd4 h LYS 12 N 0.24 0.00 -6.98 2.33 1.57 -1.50 -3.46 116.57 108.77 1dd4 h LYS 12 Ca 0.23 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.48 1dd4 h LYS 12 Cb 0.59 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.99 1dd4 h LYS 12 CO -0.04 0.00 0.59 -0.51 -0.57 0.00 0.00 179.45 178.91 1dd4 s LEU 13 N -4.79 4.11 0.90 2.94 1.43 -0.56 -5.02 118.68 117.69 1dd4 s LEU 13 Ca 0.10 2.61 -0.12 0.00 -1.03 0.00 0.00 54.13 55.69 1dd4 s LEU 13 Cb 0.11 -4.04 0.13 0.00 0.03 0.00 0.00 46.19 42.42 1dd4 s LEU 13 CO 0.62 -1.00 1.11 0.42 0.23 0.00 0.00 176.35 177.73 1dd4 s THR 14 N -1.33 2.37 0.37 5.49 -4.23 -1.26 -4.80 115.64 112.26 1dd4 s THR 14 Ca 0.61 0.12 0.07 0.00 -1.18 0.00 0.00 61.69 61.31 1dd4 s THR 14 Cb -0.37 -2.78 0.17 0.00 1.34 0.00 0.00 72.50 70.86 1dd4 s THR 14 CO 0.46 -0.16 1.92 0.58 -0.54 0.00 0.00 174.62 176.88 1dd4 h VAL 15 N -1.48 1.17 -0.05 2.29 2.07 -1.98 -1.37 116.25 116.90 1dd4 h VAL 15 Ca -0.50 -0.70 -0.16 0.00 0.82 0.00 0.00 66.70 66.16 1dd4 h VAL 15 Cb 1.31 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1dd4 h VAL 15 CO 0.59 0.23 -0.66 0.77 0.02 0.00 0.00 177.57 178.53 1dd4 h SER 16 N 0.37 0.27 -0.07 0.57 4.64 -1.98 -1.57 113.55 115.78 1dd4 h SER 16 Ca 0.08 -0.16 -0.22 0.00 -0.47 0.00 0.00 61.79 61.02 1dd4 h SER 16 Cb 0.30 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1dd4 h SER 16 CO 0.01 0.85 -0.78 -0.33 -0.87 0.00 0.00 176.83 175.72 1dd4 h GLU 17 N 0.16 0.72 -0.61 4.77 5.08 -1.84 -1.00 114.58 121.86 1dd4 h GLU 17 Ca -0.01 -0.59 -0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1dd4 h GLU 17 Cb 1.19 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 1dd4 h GLU 17 CO 0.10 1.20 0.37 1.25 -1.00 0.00 0.00 179.01 180.93 1dd4 h LEU 18 N 0.49 0.72 -1.42 1.33 5.85 -1.15 0.25 115.31 121.38 1dd4 h LEU 18 Ca -0.05 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1dd4 h LEU 18 Cb 1.39 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1dd4 h LEU 18 CO 0.15 0.56 -0.27 0.00 -0.34 0.00 0.00 178.44 178.54 1dd4 h ALA 19 N 1.57 1.28 0.01 1.25 0.00 -0.81 -0.15 119.26 122.40 1dd4 h ALA 19 Ca 0.22 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1dd4 h ALA 19 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1dd4 h ALA 19 CO -0.04 0.34 -0.96 0.93 0.00 0.00 0.00 179.25 179.52 1dd4 h GLU 20 N 0.00 0.42 0.68 0.00 4.39 0.54 -1.56 114.58 119.05 1dd4 h GLU 20 Ca -0.00 -0.46 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 1dd4 h GLU 20 Cb 0.59 0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1dd4 h GLU 20 CO 0.04 1.12 -0.33 1.25 -1.16 0.00 0.00 179.01 179.93 1dd4 h LEU 21 N 0.23 -0.77 -0.78 1.33 6.46 0.05 -0.48 115.31 121.35 1dd4 h LEU 21 Ca -0.09 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.76 1dd4 h LEU 21 Cb 1.60 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 41.67 1dd4 h LEU 21 CO 0.17 -0.53 0.45 0.58 -0.62 0.00 0.00 178.44 178.49 1dd4 h VAL 22 N -0.95 0.95 0.37 1.05 2.07 -1.10 -0.86 116.25 117.78 1dd4 h VAL 22 Ca -0.09 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1dd4 h VAL 22 Cb 0.71 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1dd4 h VAL 22 CO 0.15 0.14 -0.18 0.50 0.02 0.00 0.00 177.57 178.21 1dd4 h LYS 23 N 0.79 -0.48 -0.97 1.57 3.64 -1.10 0.18 116.57 120.19 1dd4 h LYS 23 Ca 0.36 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.81 1dd4 h LYS 23 Cb 0.26 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 1dd4 h LYS 23 CO -0.21 -0.32 0.64 0.87 -2.27 0.00 0.00 179.45 178.16 1dd4 h LYS 24 N -0.51 1.18 -0.36 1.90 1.57 -0.71 0.33 116.57 119.97 1dd4 h LYS 24 Ca -0.05 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1dd4 h LYS 24 Cb 0.39 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1dd4 h LYS 24 CO 0.08 0.78 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.47 1dd4 h LEU 25 N 1.21 0.80 -0.33 2.94 3.38 -0.95 -2.52 115.31 119.84 1dd4 h LEU 25 Ca 0.39 -0.42 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 1dd4 h LEU 25 Cb 0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1dd4 h LEU 25 CO -0.13 1.04 -0.76 -0.33 0.09 0.00 0.00 178.44 178.35 1dd4 h GLU 26 N 0.56 0.47 -0.58 1.13 5.08 -0.12 -2.55 114.58 118.57 1dd4 h GLU 26 Ca 0.08 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 57.96 1dd4 h GLU 26 Cb 0.75 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1dd4 h GLU 26 CO 0.06 1.04 0.05 -0.44 -1.00 0.00 0.00 179.01 178.72 1dd4 h ASP 27 N 0.32 0.92 -0.04 1.42 3.45 -0.39 -2.14 116.42 119.95 1dd4 h ASP 27 Ca -0.04 -0.22 -0.12 0.00 0.43 0.00 0.00 57.03 57.07 1dd4 h ASP 27 Cb 1.36 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.87 1dd4 h ASP 27 CO 0.14 0.95 -0.36 0.50 -1.57 0.00 0.00 179.24 178.90 1dd4 h LYS 28 N 0.90 0.54 -0.65 3.56 3.64 -1.35 -3.03 116.57 120.18 1dd4 h LYS 28 Ca 0.18 -0.25 -0.14 0.00 -1.27 0.00 0.00 60.65 59.16 1dd4 h LYS 28 Cb 0.45 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.18 1dd4 h LYS 28 CO 0.02 0.82 0.17 1.19 -2.27 0.00 0.00 179.45 179.38 1dd4 n PHE 29 N -4.05 2.20 -4.28 1.91 3.01 -0.97 -4.94 117.46 110.34 1dd4 n PHE 29 Ca -0.01 -1.07 -0.38 0.00 1.01 0.00 0.00 57.45 57.00 1dd4 n PHE 29 Cb 0.48 -0.61 -0.05 0.00 -0.01 0.00 0.00 39.48 39.30 1dd4 n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dd4 n GLY 30 N -0.03 -0.43 3.80 1.37 0.00 -1.02 -4.92 105.19 103.96 1dd4 n GLY 30 Ca 0.36 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 1dd4 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dd4 s VAL 31 N -3.22 4.03 0.08 1.61 1.01 -0.84 -5.06 120.40 118.02 1dd4 s VAL 31 Ca 0.75 1.32 0.03 0.00 0.00 0.00 0.00 61.98 64.08 1dd4 s VAL 31 Cb -0.42 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1dd4 s VAL 31 CO 0.93 -0.22 -0.09 0.42 0.00 0.00 0.00 175.10 176.14 1dd4 s THR 32 N -2.00 0.78 -0.18 3.92 -4.23 -1.26 -4.82 115.64 107.85 1dd4 s THR 32 Ca 0.63 -1.56 -0.22 0.00 -1.18 0.00 0.00 61.69 59.36 1dd4 s THR 32 Cb -0.14 -1.24 -0.02 0.00 1.34 0.00 0.00 72.50 72.43 1dd4 s THR 32 CO 0.18 -0.59 0.67 0.00 -0.54 0.00 0.00 174.62 174.35 1dd4 s ALA 33 N -2.44 3.53 0.00 3.99 0.00 -1.26 -4.82 121.76 120.75 1dd4 s ALA 33 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1dd4 s ALA 33 Cb -0.03 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1dd4 s ALA 33 CO -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 175.76 175.21 1dd4 n ALA 34 N 4.98 -1.13 -1.67 0.00 0.00 -1.26 -4.92 120.51 116.51 1dd4 n ALA 34 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.92 1dd4 n ALA 34 Cb 0.50 -0.23 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 1dd4 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dd4 n ALA 35 N 1.16 0.25 0.02 0.00 0.00 -1.26 -4.86 120.51 115.82 1dd4 n ALA 35 Ca 0.00 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.72 1dd4 n ALA 35 Cb 0.00 -2.30 -0.05 0.00 0.00 0.00 0.00 19.45 17.10 1dd4 n ALA 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1dd4 h PRO 36 N 6.94 -0.45 -6.19 0.00 0.11 -1.94 -3.42 132.00 127.04 1dd4 h PRO 36 Ca -0.47 0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.16 1dd4 h PRO 36 Cb 1.30 0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.45 1dd4 h PRO 36 CO 0.90 -0.30 -0.53 0.14 -0.21 0.00 0.00 178.00 178.00 1dd4 s VAL 37 N -5.94 4.04 0.11 3.15 -7.23 -1.26 -5.05 120.40 108.21 1dd4 s VAL 37 Ca -0.15 -1.49 -0.31 0.00 -1.81 0.00 0.00 61.98 58.22 1dd4 s VAL 37 Cb 0.10 -3.25 -0.10 0.00 0.56 0.00 0.00 36.38 33.68 1dd4 s VAL 37 CO 0.65 -0.31 1.81 0.00 -0.31 0.00 0.00 175.10 176.94 1dd4 s ALA 38 N -2.21 3.74 -1.66 1.32 0.00 -1.26 -4.82 121.76 116.86 1dd4 s ALA 38 Ca 0.34 1.40 0.21 0.00 0.00 0.00 0.00 51.96 53.91 1dd4 s ALA 38 Cb -0.07 -3.76 0.64 0.00 0.00 0.00 0.00 23.12 19.93 1dd4 s ALA 38 CO 0.24 -1.24 1.54 1.33 0.00 0.00 0.00 175.76 177.63 1dd4 n VAL 39 N 4.81 1.21 0.00 0.00 0.24 -1.26 -5.18 118.33 118.16 1dd4 n VAL 39 Ca 0.18 -1.06 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 1dd4 n VAL 39 Cb 0.39 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 1dd4 n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69