#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7j s ASP 2 N 0.00 0.82 0.00 7.83 1.11 -1.26 -4.99 116.67 120.19 1u7j s ASP 2 Ca 0.00 0.15 0.00 0.00 0.18 0.00 0.00 52.55 52.88 1u7j s ASP 2 Cb 0.00 0.60 0.00 0.00 1.07 0.00 0.00 42.92 44.59 1u7j s ASP 2 CO 0.00 -0.29 0.00 0.00 1.18 0.00 0.00 175.17 176.06 1u7j n TYR 3 N 5.34 -0.68 -0.35 4.23 4.19 -1.26 -4.99 117.16 123.64 1u7j n TYR 3 Ca -0.05 0.00 -0.00 0.00 3.31 0.00 0.00 57.90 61.15 1u7j n TYR 3 Cb 0.50 0.15 0.15 0.00 0.49 0.00 0.00 39.34 40.63 1u7j n TYR 3 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1u7j h LEU 4 N 0.00 1.08 -0.94 2.98 3.38 -1.99 -1.72 115.31 118.10 1u7j h LEU 4 Ca 0.00 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.07 1u7j h LEU 4 Cb 0.00 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.41 1u7j h LEU 4 CO 0.00 0.76 0.57 -0.09 0.09 0.00 0.00 178.44 179.76 1u7j h ARG 5 N 1.26 0.86 -0.17 1.13 2.43 -1.97 -0.27 114.38 117.66 1u7j h ARG 5 Ca 0.37 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.42 1u7j h ARG 5 Cb -0.07 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 1u7j h ARG 5 CO -0.10 0.57 -0.20 0.93 -1.51 0.00 0.00 179.97 179.67 1u7j h GLU 6 N 0.89 0.29 -0.06 0.20 5.08 -1.71 -0.74 114.58 118.53 1u7j h GLU 6 Ca 0.47 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 1u7j h GLU 6 Cb 0.49 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1u7j h GLU 6 CO -0.28 0.48 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.12 1u7j h LEU 7 N 0.26 0.13 -0.51 1.33 3.38 -1.02 -2.91 115.31 115.97 1u7j h LEU 7 Ca 0.05 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.72 1u7j h LEU 7 Cb 0.50 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 1u7j h LEU 7 CO 0.03 0.50 -0.12 0.22 0.09 0.00 0.00 178.44 179.17 1u7j h TYR 8 N -0.24 -0.25 0.00 1.13 5.03 -0.93 0.13 116.97 121.84 1u7j h TYR 8 Ca 0.01 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1u7j h TYR 8 Cb 0.45 0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.92 1u7j h TYR 8 CO 0.06 -0.21 0.06 -0.22 -1.32 0.00 0.00 178.16 176.53 1u7j h LYS 9 N 0.01 0.00 0.00 1.82 3.11 -1.11 -1.57 116.57 118.83 1u7j h LYS 9 Ca 0.25 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.81 1u7j h LYS 9 Cb 0.38 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.56 1u7j h LYS 9 CO -0.52 0.00 -2.03 -0.11 -2.81 0.00 0.00 179.45 173.98 1u7j n LEU 10 N -2.28 2.76 0.05 5.20 7.94 -0.54 -4.20 117.00 125.93 1u7j n LEU 10 Ca -0.01 -0.05 -0.11 0.00 -1.11 0.00 0.00 56.01 54.72 1u7j n LEU 10 Cb 0.09 -0.62 0.01 0.00 0.53 0.00 0.00 43.42 43.43 1u7j n LEU 10 CO 0.10 0.75 0.31 -0.33 -1.11 0.00 0.00 177.39 177.11 1u7j h GLU 11 N -0.10 0.44 0.00 1.96 4.39 -0.46 0.36 114.58 121.18 1u7j h GLU 11 Ca -0.41 -0.38 -0.12 0.00 0.34 0.00 0.00 59.36 58.79 1u7j h GLU 11 Cb 1.60 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 30.31 1u7j h GLU 11 CO -0.09 1.02 -0.58 1.96 -1.16 0.00 0.00 179.01 180.15 1u7j h GLN 12 N 0.29 0.00 0.18 2.33 1.08 -1.54 -3.14 115.11 114.31 1u7j h GLN 12 Ca -0.04 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1u7j h GLN 12 Cb 1.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 1u7j h GLN 12 CO 0.14 0.58 -0.09 1.96 -0.95 0.00 0.00 178.83 180.47 1u7j h GLN 13 N 0.00 -0.24 -2.01 1.46 1.08 -1.67 -3.02 115.11 110.71 1u7j h GLN 13 Ca -0.01 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1u7j h GLN 13 Cb 1.10 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1u7j h GLN 13 CO 0.08 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.96 1u7j n ALA 14 N -2.31 2.81 0.03 3.87 0.00 0.10 -3.34 120.51 121.67 1u7j n ALA 14 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1u7j n ALA 14 Cb 0.19 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1u7j n ALA 14 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1u7j n MET 15 N 1.76 0.00 -0.07 0.00 0.00 -1.15 -4.67 117.12 113.00 1u7j n MET 15 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.70 57.81 1u7j n MET 15 Cb 0.26 -0.02 0.49 0.00 0.00 0.00 0.00 33.22 33.96 1u7j n MET 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1u7j h LYS 16 N 0.00 0.42 0.16 2.12 3.64 -1.54 -1.50 116.57 119.86 1u7j h LYS 16 Ca 0.00 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.06 1u7j h LYS 16 Cb 0.03 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1u7j h LYS 16 CO 0.00 0.28 -1.35 -0.07 -2.27 0.00 0.00 179.45 176.03 1u7j h LEU 17 N 0.43 0.54 -0.20 5.20 3.38 -1.88 -3.29 115.31 119.50 1u7j h LEU 17 Ca 0.26 -0.60 -0.22 0.00 0.09 0.00 0.00 57.88 57.40 1u7j h LEU 17 Cb 0.45 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1u7j h LEU 17 CO -0.07 1.47 -0.79 1.88 0.09 0.00 0.00 178.44 181.02 1u7j h TYR 18 N 0.09 0.96 -0.44 1.13 0.05 -1.55 -0.43 116.97 116.79 1u7j h TYR 18 Ca -0.18 -0.43 -0.02 0.00 0.05 0.00 0.00 58.73 58.14 1u7j h TYR 18 Cb 2.04 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 39.61 1u7j h TYR 18 CO 0.08 1.25 0.17 0.07 -1.05 0.00 0.00 178.16 178.69 1u7j h ARG 19 N 0.48 0.63 0.22 4.88 -0.00 -1.66 -2.96 114.38 115.96 1u7j h ARG 19 Ca -0.05 -0.09 -0.01 0.00 -0.00 0.00 0.00 59.98 59.83 1u7j h ARG 19 Cb 1.41 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 31.27 1u7j h ARG 19 CO 0.16 0.52 -0.11 1.49 -0.00 0.00 0.00 179.97 182.03 1u7j h GLU 20 N 0.62 -0.29 -0.52 0.08 4.57 -1.37 -3.00 114.58 114.68 1u7j h GLU 20 Ca 0.15 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 1u7j h GLU 20 Cb 0.14 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1u7j h GLU 20 CO -0.01 0.05 0.12 0.00 -1.18 0.00 0.00 179.01 177.99 1u7j h ALA 21 N -0.03 1.24 -0.42 2.92 0.00 -1.23 -3.06 119.26 118.67 1u7j h ALA 21 Ca -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1u7j h ALA 21 Cb 0.48 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1u7j h ALA 21 CO 0.05 0.53 0.23 1.03 0.00 0.00 0.00 179.25 181.09 1u7j h SER 22 N 0.77 0.37 0.18 0.00 0.87 -1.52 -0.29 113.55 113.92 1u7j h SER 22 Ca 0.17 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1u7j h SER 22 Cb 0.29 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1u7j h SER 22 CO -0.00 0.26 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.11 1u7j h GLU 23 N 0.47 0.00 0.00 2.24 5.08 -1.43 -0.17 114.58 120.78 1u7j h GLU 23 Ca 0.17 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1u7j h GLU 23 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1u7j h GLU 23 CO -0.10 0.12 -0.00 -0.09 -1.00 0.00 0.00 179.01 177.94 1u7j h ARG 24 N 0.00 -0.00 -0.12 2.33 1.12 -1.38 -3.39 114.38 112.94 1u7j h ARG 24 Ca -0.00 0.00 -0.20 0.00 -1.11 0.00 0.00 59.98 58.67 1u7j h ARG 24 Cb 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.20 1u7j h ARG 24 CO 0.02 0.97 -0.73 0.28 -3.11 0.00 0.00 179.97 177.40 1u7j h VAL 25 N -0.99 1.33 -1.08 0.20 2.07 -0.96 -3.48 116.25 113.34 1u7j h VAL 25 Ca -0.00 -2.03 -0.15 0.00 0.82 0.00 0.00 66.70 65.34 1u7j h VAL 25 Cb 0.97 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1u7j h VAL 25 CO 0.00 0.63 -0.20 0.61 0.02 0.00 0.00 177.57 178.63 1u7j n GLY 26 N 0.58 0.07 3.57 2.17 0.00 -0.08 -5.06 105.19 106.44 1u7j n GLY 26 Ca -0.05 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.66 4.98 0.22 1.61 1.01 -1.26 -5.05 116.67 115.52 1u7j s ASP 27 Ca 0.00 -0.03 -0.03 0.00 0.71 0.00 0.00 52.55 53.20 1u7j s ASP 27 Cb 0.00 -1.65 0.22 0.00 1.01 0.00 0.00 42.92 42.50 1u7j s ASP 27 CO 0.00 0.25 1.65 1.55 0.21 0.00 0.00 175.17 178.82 1u7j h PRO 28 N 6.14 0.74 0.00 8.23 0.13 -1.97 -2.87 132.00 142.41 1u7j h PRO 28 Ca -0.39 -0.29 -0.05 0.00 -0.87 0.00 0.00 66.00 64.41 1u7j h PRO 28 Cb 1.19 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1u7j h PRO 28 CO 0.60 0.89 -0.22 -0.24 -0.23 0.00 0.00 178.00 178.81 1u7j h VAL 29 N 0.65 0.97 -0.50 1.56 3.04 -1.99 -1.55 116.25 118.44 1u7j h VAL 29 Ca 0.09 -0.80 -0.07 0.00 -1.01 0.00 0.00 66.70 64.92 1u7j h VAL 29 Cb 0.71 1.45 -0.02 0.00 -2.01 0.00 0.00 31.29 31.42 1u7j h VAL 29 CO 0.05 0.21 0.06 0.25 -1.01 0.00 0.00 177.57 177.14 1u7j h LEU 30 N 0.00 0.82 -0.61 3.16 6.46 -1.94 -1.41 115.31 121.80 1u7j h LEU 30 Ca -0.00 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1u7j h LEU 30 Cb 0.44 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1u7j h LEU 30 CO 0.03 0.89 0.00 0.00 -0.62 0.00 0.00 178.44 178.74 1u7j n ALA 31 N -2.42 1.37 -0.05 1.25 0.00 -0.69 -3.20 120.51 116.78 1u7j n ALA 31 Ca 0.01 0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 1u7j n ALA 31 Cb 0.27 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 1u7j n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1u7j n LYS 32 N -1.94 0.66 -0.11 0.00 4.76 -0.58 -3.98 118.16 116.96 1u7j n LYS 32 Ca 0.01 0.14 -0.07 0.00 -2.87 0.00 0.00 58.31 55.52 1u7j n LYS 32 Cb 0.12 -1.67 0.01 0.00 -1.84 0.00 0.00 35.03 31.65 1u7j n LYS 32 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1u7j h ILE 33 N 0.00 1.00 -0.12 -0.18 2.04 -1.38 -2.81 117.51 116.05 1u7j h ILE 33 Ca -0.38 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1u7j h ILE 33 Cb 2.04 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1u7j h ILE 33 CO 0.05 0.07 -0.14 0.17 0.00 0.00 0.00 178.15 178.30 1u7j h LEU 34 N 0.40 0.17 -1.28 1.44 8.10 -1.74 -2.65 115.31 119.75 1u7j h LEU 34 Ca 0.16 -0.03 -0.02 0.00 0.11 0.00 0.00 57.88 58.09 1u7j h LEU 34 Cb 0.05 -0.04 -0.03 0.00 -0.44 0.00 0.00 40.66 40.20 1u7j h LEU 34 CO -0.10 0.34 0.27 -0.33 -4.11 0.00 0.00 178.44 174.51 1u7j h GLU 35 N 0.17 0.76 0.01 0.17 4.39 -1.63 -2.58 114.58 115.88 1u7j h GLU 35 Ca 0.04 -0.09 -0.24 0.00 0.34 0.00 0.00 59.36 59.41 1u7j h GLU 35 Cb 0.36 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1u7j h GLU 35 CO 0.02 0.59 -0.98 -0.44 -1.16 0.00 0.00 179.01 177.04 1u7j h ASP 36 N 0.77 0.60 0.21 1.42 3.32 -1.43 -3.18 116.42 118.13 1u7j h ASP 36 Ca 0.19 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1u7j h ASP 36 Cb 0.07 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1u7j h ASP 36 CO -0.03 1.29 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.40 1u7j h GLU 37 N 0.25 0.00 -0.16 3.56 4.39 -1.29 -2.48 114.58 118.86 1u7j h GLU 37 Ca -0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1u7j h GLU 37 Cb 1.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 1u7j h GLU 37 CO 0.17 0.05 0.08 1.49 -1.16 0.00 0.00 179.01 179.65 1u7j h GLU 38 N 0.00 0.22 -0.51 2.33 4.81 -1.45 -2.54 114.58 117.45 1u7j h GLU 38 Ca -0.00 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1u7j h GLU 38 Cb 0.17 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1u7j h GLU 38 CO 0.01 0.24 0.28 0.87 -0.73 0.00 0.00 179.01 179.68 1u7j h LYS 39 N 0.14 0.53 -0.65 1.92 6.56 -1.55 -2.49 116.57 121.04 1u7j h LYS 39 Ca 0.05 -0.03 0.06 0.00 -1.06 0.00 0.00 60.65 59.67 1u7j h LYS 39 Cb 0.09 -0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 31.59 1u7j h LYS 39 CO -0.01 0.35 0.43 0.45 -2.06 0.00 0.00 179.45 178.62 1u7j h HIS 40 N 0.55 0.67 0.08 -1.35 3.86 -1.32 -0.84 115.15 116.80 1u7j h HIS 40 Ca 0.21 0.02 -0.21 0.00 -1.16 0.00 0.00 60.37 59.23 1u7j h HIS 40 Cb 0.08 -0.22 0.02 0.00 1.06 0.00 0.00 27.41 28.35 1u7j h HIS 40 CO -0.08 0.36 -0.88 0.82 0.86 0.00 0.00 177.93 179.01 1u7j h ILE 41 N 0.67 1.41 -0.39 2.45 1.08 -1.24 0.34 117.51 121.83 1u7j h ILE 41 Ca 0.28 -2.35 -0.01 0.00 -0.39 0.00 0.00 64.86 62.39 1u7j h ILE 41 Cb 0.24 2.82 -0.02 0.00 -3.07 0.00 0.00 36.82 36.80 1u7j h ILE 41 CO -0.09 0.69 0.21 -0.08 -0.69 0.00 0.00 178.15 178.19 1u7j h GLU 42 N -0.06 0.55 -0.49 2.37 4.81 -1.19 -1.86 114.58 118.72 1u7j h GLU 42 Ca -0.13 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1u7j h GLU 42 Cb 1.62 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.87 1u7j h GLU 42 CO 0.17 0.46 0.20 -1.49 -0.73 0.00 0.00 179.01 177.62 1u7j h TRP 43 N 0.50 0.69 0.54 0.92 6.55 -1.22 -2.33 115.95 121.60 1u7j h TRP 43 Ca 0.14 -0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.93 1u7j h TRP 43 Cb 0.07 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.15 1u7j h TRP 43 CO -0.02 0.54 -0.33 1.25 -1.05 0.00 0.00 178.44 178.82 1u7j h LEU 44 N 0.69 -0.84 -0.66 -4.49 6.46 -0.21 -1.48 115.31 114.78 1u7j h LEU 44 Ca 0.17 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1u7j h LEU 44 Cb 0.13 0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 1u7j h LEU 44 CO -0.02 -0.52 0.27 -0.08 -0.62 0.00 0.00 178.44 177.47 1u7j h GLU 45 N -0.83 0.97 -0.73 1.25 4.22 -1.38 -2.55 114.58 115.52 1u7j h GLU 45 Ca -0.06 -0.17 0.05 0.00 0.08 0.00 0.00 59.36 59.26 1u7j h GLU 45 Cb 0.68 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1u7j h GLU 45 CO 0.06 0.81 0.48 1.15 -2.18 0.00 0.00 179.01 179.33 1u7j h THR 46 N 0.92 1.07 -0.00 0.32 2.02 -1.32 -2.79 112.91 113.12 1u7j h THR 46 Ca 0.22 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1u7j h THR 46 Cb 0.19 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1u7j h THR 46 CO -0.02 0.15 -0.37 0.00 0.37 0.00 0.00 175.52 175.65 1u7j n ILE 47 N -4.47 0.00 0.68 3.11 0.13 -0.57 -4.08 119.36 114.17 1u7j n ILE 47 Ca 0.10 -0.06 0.11 0.00 -1.10 0.00 0.00 62.75 61.80 1u7j n ILE 47 Cb 0.17 0.31 0.00 0.00 -0.84 0.00 0.00 39.64 39.29 1u7j n ILE 47 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1u7j n ASN 48 N -1.08 0.64 0.00 9.51 5.15 -0.99 -5.09 115.26 123.39 1u7j n ASN 48 Ca 0.09 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.69 1u7j n ASN 48 Cb 0.34 0.86 0.00 0.00 -0.53 0.00 0.00 39.78 40.45 1u7j n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27