#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 -0.97 0.00 3.17 9.92 -1.26 -5.00 116.55 122.40 1u7j n ASP 2 Ca 0.00 -2.46 0.00 0.00 -0.53 0.00 0.00 54.79 51.80 1u7j n ASP 2 Cb 0.00 1.85 0.00 0.00 -0.64 0.00 0.00 41.12 42.33 1u7j n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1u7j n TYR 3 N -0.44 0.00 0.31 1.24 0.18 -1.26 -4.76 117.16 112.43 1u7j n TYR 3 Ca 0.01 0.00 0.17 0.00 1.88 0.00 0.00 57.90 59.96 1u7j n TYR 3 Cb 0.45 -0.76 0.91 0.00 -0.38 0.00 0.00 39.34 39.56 1u7j n TYR 3 CO 0.00 0.00 0.00 1.37 -2.08 0.00 0.00 176.86 176.15 1u7j h LEU 4 N 0.00 0.00 -1.58 -3.48 8.10 -1.97 -2.03 115.31 114.35 1u7j h LEU 4 Ca 0.00 0.00 0.04 0.00 0.11 0.00 0.00 57.88 58.03 1u7j h LEU 4 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1u7j h LEU 4 CO 0.00 0.00 0.35 0.08 -4.11 0.00 0.00 178.44 174.76 1u7j h ARG 5 N 0.00 0.52 -0.31 0.17 0.11 -1.98 -1.53 114.38 111.36 1u7j h ARG 5 Ca 0.00 -0.03 -0.16 0.00 0.10 0.00 0.00 59.98 59.89 1u7j h ARG 5 Cb 0.36 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 1u7j h ARG 5 CO 0.00 0.35 -0.44 0.93 0.10 0.00 0.00 179.97 180.91 1u7j h GLU 6 N 0.54 0.78 0.46 0.08 5.08 -1.78 -0.10 114.58 119.65 1u7j h GLU 6 Ca 0.22 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1u7j h GLU 6 Cb 0.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1u7j h GLU 6 CO -0.06 1.06 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.64 1u7j h LEU 7 N 0.63 -0.76 -0.52 1.33 4.07 -1.68 -2.60 115.31 115.77 1u7j h LEU 7 Ca 0.04 0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.15 1u7j h LEU 7 Cb 1.00 0.23 -0.10 0.00 1.08 0.00 0.00 40.66 42.87 1u7j h LEU 7 CO 0.10 -0.47 -0.14 0.22 -1.08 0.00 0.00 178.44 177.07 1u7j h TYR 8 N -0.73 -0.29 0.00 1.13 5.03 -1.15 0.24 116.97 121.20 1u7j h TYR 8 Ca -0.05 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1u7j h TYR 8 Cb 0.61 0.21 0.00 0.00 1.55 0.00 0.00 36.73 39.10 1u7j h TYR 8 CO -0.11 -0.23 0.00 1.63 -1.32 0.00 0.00 178.16 178.13 1u7j n LYS 9 N -5.37 0.22 -0.04 1.82 5.02 -0.06 -1.55 118.16 118.20 1u7j n LYS 9 Ca 0.05 0.12 -0.05 0.00 -2.02 0.00 0.00 58.31 56.41 1u7j n LYS 9 Cb 0.28 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 1u7j n LYS 9 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1u7j n LEU 10 N -1.18 1.72 -0.08 -0.35 4.77 -0.30 -4.34 117.00 117.24 1u7j n LEU 10 Ca 0.06 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 1u7j n LEU 10 Cb 0.07 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 1u7j n LEU 10 CO 0.07 0.43 0.43 -0.33 -1.33 0.00 0.00 177.39 176.66 1u7j h GLU 11 N 0.00 0.86 0.00 3.23 4.39 -0.33 -0.07 114.58 122.65 1u7j h GLU 11 Ca -0.18 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 58.97 1u7j h GLU 11 Cb 1.33 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1u7j h GLU 11 CO -0.01 1.18 0.00 1.96 -1.16 0.00 0.00 179.01 180.98 1u7j h GLN 12 N 0.64 0.00 -0.12 2.33 1.08 -1.52 -3.16 115.11 114.36 1u7j h GLN 12 Ca 0.01 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 1u7j h GLN 12 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1u7j h GLN 12 CO 0.12 0.00 -0.44 1.96 -0.95 0.00 0.00 178.83 179.52 1u7j h GLN 13 N 0.00 0.51 -2.31 1.46 4.20 -1.72 -3.17 115.11 114.08 1u7j h GLN 13 Ca 0.00 -0.39 -0.09 0.00 0.06 0.00 0.00 58.65 58.23 1u7j h GLN 13 Cb 0.92 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 1u7j h GLN 13 CO 0.00 1.01 -0.03 0.00 -0.67 0.00 0.00 178.83 179.14 1u7j n ALA 14 N -2.53 3.97 0.07 3.87 0.00 -0.05 -3.45 120.51 122.39 1u7j n ALA 14 Ca -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1u7j n ALA 14 Cb 0.56 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 2.48 0.00 -0.23 0.00 0.00 -1.22 -4.74 117.12 113.40 1u7j n MET 15 Ca 0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 57.70 57.85 1u7j n MET 15 Cb 0.50 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.77 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 0.86 -0.26 2.12 3.64 -1.57 0.48 116.57 121.82 1u7j h LYS 16 Ca 0.00 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1u7j h LYS 16 Cb 0.00 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1u7j h LYS 16 CO 0.00 0.57 -0.34 -0.07 -2.27 0.00 0.00 179.45 177.33 1u7j h LEU 17 N 0.88 0.76 -1.72 5.20 3.38 -1.88 -2.23 115.31 119.71 1u7j h LEU 17 Ca 0.24 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1u7j h LEU 17 Cb -0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1u7j h LEU 17 CO -0.06 1.11 -0.17 1.88 0.09 0.00 0.00 178.44 181.28 1u7j h TYR 18 N 0.43 0.00 0.00 1.13 0.05 -1.72 -2.65 116.97 114.21 1u7j h TYR 18 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1u7j h TYR 18 Cb 0.93 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1u7j h TYR 18 CO 0.08 0.17 -1.34 2.89 -1.05 0.00 0.00 178.16 178.92 1u7j n ARG 19 N -4.04 0.47 0.14 4.88 1.85 0.13 -4.33 116.66 115.75 1u7j n ARG 19 Ca -0.02 -0.04 -0.11 0.00 -1.00 0.00 0.00 57.85 56.68 1u7j n ARG 19 Cb 0.25 -1.62 -0.07 0.00 -1.05 0.00 0.00 32.46 29.98 1u7j n ARG 19 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1u7j h GLU 20 N 0.00 -0.40 -2.06 2.89 4.57 -1.20 -3.36 114.58 115.02 1u7j h GLU 20 Ca 0.00 0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 58.00 1u7j h GLU 20 Cb 0.87 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.48 1u7j h GLU 20 CO 0.00 -0.08 -0.19 0.00 -1.18 0.00 0.00 179.01 177.57 1u7j n ALA 21 N -2.60 6.35 -0.10 2.92 0.00 -1.02 -4.13 120.51 121.93 1u7j n ALA 21 Ca -0.08 -1.88 -0.20 0.00 0.00 0.00 0.00 53.44 51.28 1u7j n ALA 21 Cb 0.26 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.28 1u7j n ALA 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u7j n SER 22 N 2.56 1.43 -0.19 0.00 2.88 -1.26 -4.19 113.62 114.86 1u7j n SER 22 Ca 0.44 0.25 -0.04 0.00 -1.33 0.00 0.00 58.87 58.18 1u7j n SER 22 Cb 0.87 -0.59 0.14 0.00 -0.75 0.00 0.00 64.21 63.88 1u7j n SER 22 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1u7j h GLU 23 N -0.72 0.97 -0.08 -1.46 4.81 -1.88 -0.23 114.58 115.98 1u7j h GLU 23 Ca -0.46 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 58.41 1u7j h GLU 23 Cb 1.38 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1u7j h GLU 23 CO -0.28 0.84 -0.65 0.00 -0.73 0.00 0.00 179.01 178.19 1u7j h ARG 24 N 0.93 0.32 0.08 1.92 3.08 -1.84 -3.38 114.38 115.49 1u7j h ARG 24 Ca 0.20 -0.24 -0.37 0.00 0.07 0.00 0.00 59.98 59.65 1u7j h ARG 24 Cb 0.30 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1u7j h ARG 24 CO -0.00 0.86 -2.09 0.28 -1.07 0.00 0.00 179.97 177.94 1u7j n VAL 25 N -3.86 1.67 0.00 2.04 0.31 -1.09 -5.01 118.33 112.40 1u7j n VAL 25 Ca -0.03 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1u7j n VAL 25 Cb 0.65 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 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 1.99 2.46 3.75 2.92 0.00 -0.12 -5.01 105.19 111.18 1u7j n GLY 26 Ca -0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.95 6.76 0.23 1.61 1.01 -1.26 -4.96 116.67 117.10 1u7j s ASP 27 Ca 0.00 2.61 0.10 0.00 0.71 0.00 0.00 52.55 55.97 1u7j s ASP 27 Cb 0.00 -2.63 0.18 0.00 1.01 0.00 0.00 42.92 41.48 1u7j s ASP 27 CO 0.00 -0.60 1.50 1.55 0.21 0.00 0.00 175.17 177.84 1u7j h PRO 28 N 4.50 0.00 0.00 8.23 0.13 -1.99 -3.17 132.00 139.70 1u7j h PRO 28 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1u7j h PRO 28 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1u7j h PRO 28 CO 0.73 0.72 -0.15 -0.24 -0.23 0.00 0.00 178.00 178.83 1u7j h VAL 29 N 0.00 0.89 -0.85 1.56 3.04 -1.99 -2.08 116.25 116.81 1u7j h VAL 29 Ca -0.01 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1u7j h VAL 29 Cb 1.32 1.31 -0.04 0.00 -2.01 0.00 0.00 31.29 31.87 1u7j h VAL 29 CO 0.09 0.14 0.54 0.25 -1.01 0.00 0.00 177.57 177.59 1u7j h LEU 30 N 0.00 1.00 -0.99 3.16 6.46 -1.96 -1.36 115.31 121.61 1u7j h LEU 30 Ca -0.00 -0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.62 1u7j h LEU 30 Cb 0.30 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 1u7j h LEU 30 CO 0.02 0.74 -0.35 0.00 -0.62 0.00 0.00 178.44 178.23 1u7j h ALA 31 N 1.30 1.15 -0.33 1.25 0.00 -1.52 -2.55 119.26 118.56 1u7j h ALA 31 Ca 0.31 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1u7j h ALA 31 Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1u7j h ALA 31 CO -0.06 0.56 -0.07 -0.22 0.00 0.00 0.00 179.25 179.45 1u7j h LYS 32 N 0.24 0.54 -0.00 0.00 3.64 -0.95 -1.69 116.57 118.34 1u7j h LYS 32 Ca 0.03 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1u7j h LYS 32 Cb 0.74 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1u7j h LYS 32 CO 0.06 0.62 -0.00 0.82 -2.27 0.00 0.00 179.45 178.67 1u7j h ILE 33 N 0.51 1.27 0.00 2.00 2.04 -1.18 -0.89 117.51 121.26 1u7j h ILE 33 Ca 0.10 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1u7j h ILE 33 Cb 0.43 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1u7j h ILE 33 CO 0.02 0.21 0.00 0.17 0.00 0.00 0.00 178.15 178.55 1u7j h LEU 34 N -0.32 0.00 0.13 1.44 8.10 -1.25 -0.22 115.31 123.19 1u7j h LEU 34 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.79 1u7j h LEU 34 Cb 0.34 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.58 1u7j h LEU 34 CO 0.00 0.00 -0.86 -0.33 -4.11 0.00 0.00 178.44 173.14 1u7j h GLU 35 N 0.00 0.36 -0.28 0.17 4.39 -1.24 -3.37 114.58 114.60 1u7j h GLU 35 Ca 0.00 -0.56 -0.03 0.00 0.34 0.00 0.00 59.36 59.12 1u7j h GLU 35 Cb 0.21 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1u7j h GLU 35 CO 0.00 1.25 0.07 -0.44 -1.16 0.00 0.00 179.01 178.73 1u7j h ASP 36 N -0.25 0.42 0.41 1.42 3.32 -0.20 -3.21 116.42 118.34 1u7j h ASP 36 Ca -0.14 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1u7j h ASP 36 Cb 1.65 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.09 1u7j h ASP 36 CO 0.16 0.54 0.00 -0.62 -1.72 0.00 0.00 179.24 177.61 1u7j n GLU 37 N -4.69 0.02 -0.03 3.56 -0.58 -0.19 -2.35 120.64 116.38 1u7j n GLU 37 Ca -0.03 0.32 -0.14 0.00 -0.42 0.00 0.00 57.16 56.90 1u7j n GLU 37 Cb 0.18 -1.54 -0.09 0.00 -0.57 0.00 0.00 31.44 29.42 1u7j n GLU 37 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1u7j h GLU 38 N 0.00 0.17 -0.77 3.49 4.39 -1.71 -3.19 114.58 116.96 1u7j h GLU 38 Ca 0.00 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1u7j h GLU 38 Cb 0.21 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 1u7j h GLU 38 CO 0.00 0.69 0.51 0.87 -1.16 0.00 0.00 179.01 179.92 1u7j h LYS 39 N -0.33 0.96 0.00 2.33 1.57 -1.63 -1.46 116.57 118.02 1u7j h LYS 39 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1u7j h LYS 39 Cb 0.68 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1u7j h LYS 39 CO 0.02 0.64 0.00 0.72 -0.57 0.00 0.00 179.45 180.26 1u7j n HIS 40 N -4.43 0.23 -0.08 -1.35 8.25 -1.17 -1.15 115.22 115.51 1u7j n HIS 40 Ca 0.09 0.11 -0.11 0.00 -0.26 0.00 0.00 57.72 57.55 1u7j n HIS 40 Cb 0.07 -0.68 -0.08 0.00 1.12 0.00 0.00 29.99 30.42 1u7j n HIS 40 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1u7j n ILE 41 N -1.73 0.95 -0.12 1.59 2.08 -0.67 -3.72 119.36 117.74 1u7j n ILE 41 Ca 0.01 -0.39 -0.09 0.00 0.56 0.00 0.00 62.75 62.84 1u7j n ILE 41 Cb 0.06 -1.04 -0.01 0.00 -0.75 0.00 0.00 39.64 37.91 1u7j n ILE 41 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1u7j h GLU 42 N 0.00 0.52 -0.19 0.38 4.81 -1.07 -0.50 114.58 118.54 1u7j h GLU 42 Ca -0.37 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 1u7j h GLU 42 Cb 1.60 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 1u7j h GLU 42 CO -0.05 0.40 -0.13 -1.49 -0.73 0.00 0.00 179.01 177.02 1u7j h TRP 43 N 0.49 0.31 0.06 0.92 6.55 -1.38 -1.83 115.95 121.08 1u7j h TRP 43 Ca 0.13 -0.04 -0.00 0.00 0.95 0.00 0.00 58.89 59.93 1u7j h TRP 43 Cb 0.02 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 28.24 1u7j h TRP 43 CO -0.03 0.42 -0.03 1.25 -1.05 0.00 0.00 178.44 179.00 1u7j h LEU 44 N 0.28 -0.07 -0.97 -4.49 6.46 -1.50 -1.36 115.31 113.66 1u7j h LEU 44 Ca 0.06 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1u7j h LEU 44 Cb 0.40 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 1u7j h LEU 44 CO 0.02 0.11 0.51 -0.08 -0.62 0.00 0.00 178.44 178.39 1u7j h GLU 45 N -0.25 1.23 -0.60 1.25 4.81 -1.06 -1.91 114.58 118.05 1u7j h GLU 45 Ca -0.01 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1u7j h GLU 45 Cb 0.22 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1u7j h GLU 45 CO 0.01 0.88 0.37 1.15 -0.73 0.00 0.00 179.01 180.70 1u7j h THR 46 N 1.24 1.16 0.00 0.32 2.02 -1.21 -2.64 112.91 113.81 1u7j h THR 46 Ca 0.32 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1u7j h THR 46 Cb -0.01 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1u7j h THR 46 CO -0.06 0.16 0.00 -0.38 0.37 0.00 0.00 175.52 175.62 1u7j n ILE 47 N -4.43 0.59 0.58 3.11 5.41 -0.52 -3.09 119.36 121.01 1u7j n ILE 47 Ca 0.06 0.03 0.08 0.00 1.00 0.00 0.00 62.75 63.92 1u7j n ILE 47 Cb 0.06 -0.80 0.37 0.00 -0.71 0.00 0.00 39.64 38.56 1u7j n ILE 47 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1u7j n ASN 48 N -1.90 0.02 0.00 4.38 5.15 -1.00 -4.86 115.26 117.06 1u7j n ASN 48 Ca 0.05 0.50 0.00 0.00 -0.60 0.00 0.00 54.58 54.53 1u7j n ASN 48 Cb 0.30 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 39.04 1u7j n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27