#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7j n ASP 2 N 0.00 4.86 0.00 7.83 2.03 -1.26 -3.33 116.55 126.68 1u7j n ASP 2 Ca 0.00 -2.38 0.00 0.00 0.52 0.00 0.00 54.79 52.93 1u7j n ASP 2 Cb 0.00 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 1u7j n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u7j n TYR 3 N 2.30 -0.32 -0.02 -0.67 9.36 -1.26 -4.97 117.16 121.59 1u7j n TYR 3 Ca 0.30 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.60 1u7j n TYR 3 Cb 0.76 0.50 -0.16 0.00 -0.63 0.00 0.00 39.34 39.81 1u7j n TYR 3 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1u7j n LEU 4 N -2.50 0.00 -0.22 2.98 -0.00 -1.24 -4.26 117.00 111.76 1u7j n LEU 4 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 1u7j n LEU 4 Cb 0.00 0.06 0.20 0.00 -0.00 0.00 0.00 43.42 43.68 1u7j n LEU 4 CO 0.00 0.06 1.17 0.03 -0.00 0.00 0.00 177.39 178.65 1u7j h ARG 5 N 0.00 1.01 0.00 1.47 3.08 -1.93 -0.77 114.38 117.24 1u7j h ARG 5 Ca -0.06 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1u7j h ARG 5 Cb 1.08 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1u7j h ARG 5 CO 0.00 0.73 -0.08 0.93 -1.07 0.00 0.00 179.97 180.48 1u7j h GLU 6 N 1.02 0.00 0.10 0.04 5.08 -1.85 -1.33 114.58 117.64 1u7j h GLU 6 Ca 0.26 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.47 1u7j h GLU 6 Cb -0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1u7j h GLU 6 CO -0.05 0.08 -0.71 -0.07 -1.00 0.00 0.00 179.01 177.27 1u7j h LEU 7 N 0.00 0.33 -0.31 1.33 3.38 -1.47 -3.19 115.31 115.37 1u7j h LEU 7 Ca -0.00 -0.94 0.06 0.00 0.09 0.00 0.00 57.88 57.10 1u7j h LEU 7 Cb 0.18 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1u7j h LEU 7 CO 0.01 1.33 -0.08 0.22 0.09 0.00 0.00 178.44 180.01 1u7j h TYR 8 N -0.54 -0.18 0.00 1.13 5.03 -0.98 0.32 116.97 121.75 1u7j h TYR 8 Ca -0.14 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.20 1u7j h TYR 8 Cb 1.49 0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.90 1u7j h TYR 8 CO 0.20 -0.14 0.00 0.36 -1.32 0.00 0.00 178.16 177.26 1u7j n LYS 9 N -5.26 0.83 -0.11 1.82 2.85 -0.52 -1.88 118.16 115.89 1u7j n LYS 9 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 1u7j n LYS 9 Cb 0.18 -1.05 -0.09 0.00 -0.65 0.00 0.00 35.03 33.42 1u7j n LYS 9 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1u7j n LEU 10 N -0.43 2.04 0.06 -5.58 7.94 -0.27 -4.40 117.00 116.36 1u7j n LEU 10 Ca 0.00 0.17 -0.21 0.00 -1.11 0.00 0.00 56.01 54.86 1u7j n LEU 10 Cb 0.03 -0.71 -0.12 0.00 0.53 0.00 0.00 43.42 43.15 1u7j n LEU 10 CO 0.00 0.60 0.02 -0.33 -1.11 0.00 0.00 177.39 176.57 1u7j h GLU 11 N -0.59 0.66 -0.51 1.96 4.39 -0.48 0.11 114.58 120.11 1u7j h GLU 11 Ca -0.56 -0.78 -0.11 0.00 0.34 0.00 0.00 59.36 58.25 1u7j h GLU 11 Cb 1.59 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 30.46 1u7j h GLU 11 CO -0.28 1.34 -0.12 1.96 -1.16 0.00 0.00 179.01 180.75 1u7j h GLN 12 N 0.32 0.97 -0.31 2.33 1.08 -1.64 -2.13 115.11 115.74 1u7j h GLN 12 Ca -0.15 -0.36 -0.05 0.00 -1.45 0.00 0.00 58.65 56.64 1u7j h GLN 12 Cb 1.77 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 29.13 1u7j h GLN 12 CO 0.22 1.03 0.01 1.96 -0.95 0.00 0.00 178.83 181.10 1u7j h GLN 13 N 0.86 0.54 -0.38 1.46 1.08 -1.71 -0.32 115.11 116.65 1u7j h GLN 13 Ca 0.13 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 1u7j h GLN 13 Cb 0.67 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1u7j h GLN 13 CO 0.05 0.67 0.06 0.00 -0.95 0.00 0.00 178.83 178.66 1u7j h ALA 14 N 0.85 0.51 -0.41 3.87 0.00 -0.87 -3.17 119.26 120.05 1u7j h ALA 14 Ca 0.09 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1u7j h ALA 14 Cb 0.42 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1u7j h ALA 14 CO 0.01 0.22 0.10 1.98 0.00 0.00 0.00 179.25 181.56 1u7j h MET 15 N 0.48 0.23 -1.06 0.00 1.85 -1.25 0.66 114.93 115.84 1u7j h MET 15 Ca 0.12 -0.01 0.28 0.00 -0.61 0.00 0.00 59.70 59.47 1u7j h MET 15 Cb 0.37 -0.05 -0.11 0.00 0.43 0.00 0.00 31.60 32.24 1u7j h MET 15 CO 0.01 0.15 0.67 0.87 -0.40 0.00 0.00 176.91 178.21 1u7j h LYS 16 N 0.24 0.39 0.02 0.39 1.79 -1.03 -0.24 116.57 118.12 1u7j h LYS 16 Ca 0.19 -0.02 -0.28 0.00 -2.18 0.00 0.00 60.65 58.36 1u7j h LYS 16 Cb 0.22 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 1u7j h LYS 16 CO -0.24 0.26 -1.54 1.28 -1.08 0.00 0.00 179.45 178.13 1u7j n LEU 17 N -4.72 2.01 -0.29 2.94 4.77 -0.78 -3.55 117.00 117.39 1u7j n LEU 17 Ca 0.27 0.37 0.01 0.00 -0.03 0.00 0.00 56.01 56.63 1u7j n LEU 17 Cb 0.91 -0.97 0.13 0.00 -2.33 0.00 0.00 43.42 41.16 1u7j n LEU 17 CO 0.22 0.41 1.16 1.88 -1.33 0.00 0.00 177.39 179.73 1u7j h TYR 18 N -0.82 0.88 -0.35 -1.77 0.05 -0.75 -0.07 116.97 114.14 1u7j h TYR 18 Ca -0.40 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.31 1u7j h TYR 18 Cb 1.46 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.91 1u7j h TYR 18 CO 0.07 0.43 -0.16 0.07 -1.05 0.00 0.00 178.16 177.52 1u7j h ARG 19 N 0.86 0.63 -0.08 4.88 -0.00 -1.22 0.90 114.38 120.36 1u7j h ARG 19 Ca 0.36 -0.22 -0.03 0.00 -0.00 0.00 0.00 59.98 60.09 1u7j h ARG 19 Cb 0.21 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.97 30.13 1u7j h ARG 19 CO -0.19 0.77 -0.08 1.49 -0.00 0.00 0.00 179.97 181.96 1u7j h GLU 20 N 0.57 0.20 -0.71 0.08 4.57 -1.43 -2.02 114.58 115.85 1u7j h GLU 20 Ca 0.09 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1u7j h GLU 20 Cb 0.60 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 1u7j h GLU 20 CO 0.04 0.63 0.47 0.00 -1.18 0.00 0.00 179.01 178.97 1u7j h ALA 21 N 0.57 1.53 -0.26 2.92 0.00 -0.91 -1.48 119.26 121.63 1u7j h ALA 21 Ca 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1u7j h ALA 21 Cb 0.59 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1u7j h ALA 21 CO 0.02 0.42 0.14 1.03 0.00 0.00 0.00 179.25 180.86 1u7j h SER 22 N 0.92 0.21 0.08 0.00 0.87 -0.74 0.11 113.55 115.00 1u7j h SER 22 Ca 0.27 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1u7j h SER 22 Cb -0.04 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1u7j h SER 22 CO -0.07 0.16 0.00 -0.62 -0.53 0.00 0.00 176.83 175.77 1u7j n GLU 23 N -4.96 0.47 -0.00 2.24 1.02 -0.76 -1.20 120.64 117.45 1u7j n GLU 23 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1u7j n GLU 23 Cb 0.05 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.97 1u7j n GLU 23 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1u7j n ARG 24 N -1.07 0.57 0.00 3.49 3.00 -0.63 -4.91 116.66 117.11 1u7j n ARG 24 Ca 0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 1u7j n ARG 24 Cb 0.08 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 31.51 1u7j n ARG 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1u7j n VAL 25 N -1.61 0.00 -1.15 1.55 0.31 0.32 -5.07 118.33 112.68 1u7j n VAL 25 Ca -0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.27 1u7j n VAL 25 Cb 0.10 -0.37 -0.02 0.00 -0.91 0.00 0.00 33.84 32.63 1u7j n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u7j n GLY 26 N 1.57 0.76 3.73 2.92 0.00 -0.34 -5.01 105.19 108.81 1u7j n GLY 26 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1u7j n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u7j s ASP 27 N -2.62 6.48 0.29 1.61 1.01 -1.26 -4.94 116.67 117.23 1u7j s ASP 27 Ca 0.00 2.78 0.07 0.00 0.71 0.00 0.00 52.55 56.11 1u7j s ASP 27 Cb 0.00 -2.61 0.42 0.00 1.01 0.00 0.00 42.92 41.74 1u7j s ASP 27 CO 0.00 -0.88 1.67 1.55 0.21 0.00 0.00 175.17 177.71 1u7j h PRO 28 N 6.27 0.17 -0.01 8.23 0.13 -1.99 -2.07 132.00 142.72 1u7j h PRO 28 Ca -0.44 -0.09 -0.08 0.00 -0.87 0.00 0.00 66.00 64.52 1u7j h PRO 28 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1u7j h PRO 28 CO 0.89 0.62 -0.38 -0.24 -0.23 0.00 0.00 178.00 178.66 1u7j h VAL 29 N 0.13 1.28 -0.32 1.56 3.04 -1.99 -0.83 116.25 119.12 1u7j h VAL 29 Ca 0.01 -1.33 -0.06 0.00 -1.01 0.00 0.00 66.70 64.31 1u7j h VAL 29 Cb 0.92 1.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.89 1u7j h VAL 29 CO 0.07 0.38 -0.04 0.25 -1.01 0.00 0.00 177.57 177.23 1u7j h LEU 30 N 0.01 0.58 -1.23 3.16 6.46 -1.82 -1.38 115.31 121.09 1u7j h LEU 30 Ca -0.00 -0.34 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1u7j h LEU 30 Cb 0.69 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 1u7j h LEU 30 CO 0.05 0.78 0.49 0.00 -0.62 0.00 0.00 178.44 179.13 1u7j h ALA 31 N 0.82 1.44 -0.85 1.25 0.00 -1.11 -2.32 119.26 118.49 1u7j h ALA 31 Ca 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1u7j h ALA 31 Cb 0.50 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1u7j h ALA 31 CO 0.02 0.51 0.41 -0.22 0.00 0.00 0.00 179.25 179.97 1u7j h LYS 32 N 1.03 1.23 -0.94 0.00 1.63 -0.97 -2.78 116.57 115.76 1u7j h LYS 32 Ca 0.27 -0.18 0.03 0.00 -0.85 0.00 0.00 60.65 59.92 1u7j h LYS 32 Cb -0.10 -0.22 -0.05 0.00 -0.60 0.00 0.00 32.23 31.26 1u7j h LYS 32 CO -0.06 0.94 0.61 0.82 -3.45 0.00 0.00 179.45 178.31 1u7j h ILE 33 N 1.21 1.17 -0.89 2.00 2.04 -0.73 -3.06 117.51 119.27 1u7j h ILE 33 Ca 0.29 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1u7j h ILE 33 Cb 0.12 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.03 1u7j h ILE 33 CO -0.04 0.22 0.53 -0.07 0.00 0.00 0.00 178.15 178.79 1u7j h LEU 34 N 1.20 1.07 -1.27 1.44 3.38 -1.16 -2.90 115.31 117.07 1u7j h LEU 34 Ca 0.37 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1u7j h LEU 34 Cb -0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1u7j h LEU 34 CO -0.11 0.83 0.35 -0.33 0.09 0.00 0.00 178.44 179.26 1u7j h GLU 35 N 1.22 0.85 0.18 1.13 4.39 -1.50 -2.61 114.58 118.23 1u7j h GLU 35 Ca 0.32 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1u7j h GLU 35 Cb -0.04 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1u7j h GLU 35 CO -0.06 0.62 -0.09 -0.44 -1.16 0.00 0.00 179.01 177.88 1u7j h ASP 36 N 0.86 -0.20 0.36 1.42 3.32 -1.56 -3.22 116.42 117.39 1u7j h ASP 36 Ca 0.22 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1u7j h ASP 36 Cb 0.01 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1u7j h ASP 36 CO -0.04 0.22 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.16 1u7j h GLU 37 N -0.68 0.00 0.10 3.56 4.39 -1.40 0.41 114.58 120.97 1u7j h GLU 37 Ca -0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1u7j h GLU 37 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1u7j h GLU 37 CO 0.04 0.22 -0.05 1.49 -1.16 0.00 0.00 179.01 179.55 1u7j h GLU 38 N 0.00 -0.13 -0.46 2.33 4.22 -1.56 -3.10 114.58 115.88 1u7j h GLU 38 Ca -0.00 0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.33 1u7j h GLU 38 Cb 0.45 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1u7j h GLU 38 CO 0.03 0.06 -0.15 -0.22 -2.18 0.00 0.00 179.01 176.55 1u7j h LYS 39 N -0.29 0.92 -0.61 1.92 1.63 -1.51 -3.33 116.57 115.30 1u7j h LYS 39 Ca -0.01 -0.37 0.05 0.00 -0.85 0.00 0.00 60.65 59.47 1u7j h LYS 39 Cb 0.25 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 1u7j h LYS 39 CO 0.02 1.03 0.40 0.45 -3.45 0.00 0.00 179.45 177.90 1u7j h HIS 40 N 0.76 0.62 0.00 1.91 3.86 -0.92 -2.55 115.15 118.83 1u7j h HIS 40 Ca 0.11 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 1u7j h HIS 40 Cb 0.71 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 1u7j h HIS 40 CO 0.05 0.34 -0.40 0.97 0.86 0.00 0.00 177.93 179.76 1u7j h ILE 41 N 0.63 0.24 -0.01 2.45 2.10 -1.65 0.30 117.51 121.57 1u7j h ILE 41 Ca 0.26 -1.37 -0.01 0.00 1.08 0.00 0.00 64.86 64.82 1u7j h ILE 41 Cb 0.21 2.02 -0.00 0.00 -1.09 0.00 0.00 36.82 37.96 1u7j h ILE 41 CO -0.07 0.14 -0.02 -0.08 -1.08 0.00 0.00 178.15 177.03 1u7j h GLU 42 N 0.00 0.04 -0.44 2.19 4.81 -1.62 -3.23 114.58 116.33 1u7j h GLU 42 Ca -0.01 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1u7j h GLU 42 Cb 1.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1u7j h GLU 42 CO 0.02 0.58 0.30 -1.49 -0.73 0.00 0.00 179.01 177.68 1u7j h TRP 43 N -0.49 0.40 0.32 0.92 6.55 -1.29 -3.06 115.95 119.30 1u7j h TRP 43 Ca 0.00 0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.85 1u7j h TRP 43 Cb 0.58 -0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 28.72 1u7j h TRP 43 CO 0.12 0.22 -0.31 1.25 -1.05 0.00 0.00 178.44 178.67 1u7j h LEU 44 N 0.40 -0.83 -0.77 -4.49 6.46 -0.43 -2.23 115.31 113.41 1u7j h LEU 44 Ca 0.19 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.97 1u7j h LEU 44 Cb 0.24 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1u7j h LEU 44 CO -0.05 -0.44 0.28 -0.08 -0.62 0.00 0.00 178.44 177.53 1u7j h GLU 45 N -0.66 1.18 -0.08 1.25 4.81 -1.57 -2.18 114.58 117.33 1u7j h GLU 45 Ca -0.02 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1u7j h GLU 45 Cb 0.60 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1u7j h GLU 45 CO -0.06 0.97 0.18 1.15 -0.73 0.00 0.00 179.01 180.53 1u7j h THR 46 N 1.13 0.20 0.00 0.32 2.02 -1.41 -0.93 112.91 114.24 1u7j h THR 46 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.43 1u7j h THR 46 Cb 0.26 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1u7j h THR 46 CO -0.02 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.87 1u7j n ILE 47 N -3.34 0.49 -0.05 3.11 0.13 -0.82 -3.37 119.36 115.52 1u7j n ILE 47 Ca -0.01 0.12 0.00 0.00 -1.10 0.00 0.00 62.75 61.76 1u7j n ILE 47 Cb 0.27 -0.91 0.00 0.00 -0.84 0.00 0.00 39.64 38.15 1u7j n ILE 47 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 1u7j n ASN 48 N -1.21 0.00 0.00 9.51 5.03 -0.62 -5.14 115.26 122.83 1u7j n ASN 48 Ca 0.07 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.52 1u7j n ASN 48 Cb 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.85 1u7j n ASN 48 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04