#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 -1.68 0.12 7.83 2.03 -1.26 -4.85 116.55 118.74 1u7j n ASP 2 Ca 0.00 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.46 1u7j n ASP 2 Cb 0.00 -3.94 0.00 0.00 -0.72 0.00 0.00 41.12 36.46 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 -4.23 -2.42 0.28 -0.67 9.36 -1.26 -4.93 117.16 113.30 1u7j n TYR 3 Ca -0.27 0.55 0.12 0.00 3.32 0.00 0.00 57.90 61.61 1u7j n TYR 3 Cb 0.67 1.25 0.78 0.00 -0.63 0.00 0.00 39.34 41.41 1u7j n TYR 3 CO 0.00 0.00 0.00 1.37 0.22 0.00 0.00 176.86 178.45 1u7j h LEU 4 N 0.00 0.00 -0.26 2.98 8.10 -1.93 -2.11 115.31 122.08 1u7j h LEU 4 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.01 1u7j h LEU 4 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 1u7j h LEU 4 CO 0.00 0.02 0.13 0.03 -4.11 0.00 0.00 178.44 174.50 1u7j h ARG 5 N 0.00 0.26 0.00 0.17 3.08 -1.96 0.26 114.38 116.20 1u7j h ARG 5 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1u7j h ARG 5 Cb 0.04 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1u7j h ARG 5 CO 0.00 0.17 0.00 0.93 -1.07 0.00 0.00 179.97 180.01 1u7j h GLU 6 N 0.27 0.00 0.06 0.04 5.08 -1.74 -0.83 114.58 117.45 1u7j h GLU 6 Ca 0.11 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.15 1u7j h GLU 6 Cb 0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1u7j h GLU 6 CO -0.08 0.00 -1.78 1.28 -1.00 0.00 0.00 179.01 177.43 1u7j n LEU 7 N -2.97 2.29 -0.04 1.33 4.77 -0.44 -3.79 117.00 118.16 1u7j n LEU 7 Ca -0.03 0.28 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 1u7j n LEU 7 Cb 0.07 -1.02 -0.02 0.00 -2.33 0.00 0.00 43.42 40.12 1u7j n LEU 7 CO 0.19 0.61 0.76 0.22 -1.33 0.00 0.00 177.39 177.83 1u7j h TYR 8 N -0.45 -0.37 0.00 -1.77 3.20 -0.19 0.17 116.97 117.56 1u7j h TYR 8 Ca -0.43 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.47 1u7j h TYR 8 Cb 1.70 0.20 0.00 0.00 1.54 0.00 0.00 36.73 40.16 1u7j h TYR 8 CO 0.07 -0.22 0.00 0.36 -1.64 0.00 0.00 178.16 176.73 1u7j n LYS 9 N -5.31 0.26 -0.11 1.82 -0.00 -0.35 -1.96 118.16 112.51 1u7j n LYS 9 Ca -0.01 0.03 -0.24 0.00 -0.00 0.00 0.00 58.31 58.09 1u7j n LYS 9 Cb 0.22 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.67 1u7j n LYS 9 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1u7j n LEU 10 N -1.05 1.60 0.10 -5.58 7.94 -0.20 -4.31 117.00 115.51 1u7j n LEU 10 Ca 0.06 0.28 -0.20 0.00 -1.11 0.00 0.00 56.01 55.04 1u7j n LEU 10 Cb 0.04 -0.67 -0.15 0.00 0.53 0.00 0.00 43.42 43.17 1u7j n LEU 10 CO 0.05 0.46 -0.25 -0.33 -1.11 0.00 0.00 177.39 176.21 1u7j h GLU 11 N -0.81 0.38 0.00 1.96 4.39 -0.45 0.18 114.58 120.22 1u7j h GLU 11 Ca -0.57 -0.64 -0.09 0.00 0.34 0.00 0.00 59.36 58.40 1u7j h GLU 11 Cb 1.50 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 30.37 1u7j h GLU 11 CO -0.35 1.28 -0.43 1.96 -1.16 0.00 0.00 179.01 180.32 1u7j h GLN 12 N 0.10 0.00 0.06 2.33 1.08 -1.63 -3.22 115.11 113.83 1u7j h GLN 12 Ca -0.23 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1u7j h GLN 12 Cb 2.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.50 1u7j h GLN 12 CO 0.21 0.43 -0.03 1.96 -0.95 0.00 0.00 178.83 180.45 1u7j h GLN 13 N 0.00 -0.08 -2.77 1.46 1.08 -1.70 -3.29 115.11 109.82 1u7j h GLN 13 Ca -0.00 0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 1u7j h GLN 13 Cb 0.84 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 1u7j h GLN 13 CO 0.06 0.47 0.55 0.00 -0.95 0.00 0.00 178.83 178.95 1u7j n ALA 14 N -2.46 3.46 0.08 3.87 0.00 0.63 -2.72 120.51 123.37 1u7j n ALA 14 Ca -0.08 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1u7j n ALA 14 Cb 0.29 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 3.11 0.00 -0.24 0.00 0.00 -1.25 -4.73 117.12 114.01 1u7j n MET 15 Ca 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 57.70 57.91 1u7j n MET 15 Cb 0.34 0.00 0.10 0.00 0.00 0.00 0.00 33.22 33.66 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 0.69 0.12 2.12 3.64 -1.58 0.18 116.57 121.75 1u7j h LYS 16 Ca 0.00 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.03 1u7j h LYS 16 Cb 0.00 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1u7j h LYS 16 CO 0.00 0.46 -1.56 -0.07 -2.27 0.00 0.00 179.45 176.01 1u7j h LEU 17 N 0.71 0.40 -0.01 5.20 4.07 -1.92 -3.18 115.31 120.60 1u7j h LEU 17 Ca 0.31 -0.57 0.01 0.00 0.08 0.00 0.00 57.88 57.71 1u7j h LEU 17 Cb 0.18 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1u7j h LEU 17 CO -0.18 1.48 -0.04 1.88 -1.08 0.00 0.00 178.44 180.50 1u7j h TYR 18 N 0.07 -0.09 0.00 1.13 0.05 -1.76 -0.90 116.97 115.47 1u7j h TYR 18 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.53 1u7j h TYR 18 Cb 2.02 0.04 0.00 0.00 1.01 0.00 0.00 36.73 39.81 1u7j h TYR 18 CO 0.06 -0.06 0.00 0.07 -1.05 0.00 0.00 178.16 177.18 1u7j h ARG 19 N -0.07 0.00 0.00 4.88 -0.00 -0.78 -2.52 114.38 115.89 1u7j h ARG 19 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.99 1u7j h ARG 19 Cb 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.06 1u7j h ARG 19 CO -0.05 0.00 -0.30 1.49 -0.00 0.00 0.00 179.97 181.12 1u7j h GLU 20 N 0.00 0.00 -0.70 0.08 4.22 -1.35 -3.31 114.58 113.53 1u7j h GLU 20 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1u7j h GLU 20 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1u7j h GLU 20 CO 0.00 0.08 0.39 0.00 -2.18 0.00 0.00 179.01 177.30 1u7j h ALA 21 N -0.94 1.37 -0.96 2.92 0.00 -1.27 -2.06 119.26 118.32 1u7j h ALA 21 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1u7j h ALA 21 Cb 0.34 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 1u7j h ALA 21 CO -0.01 0.52 0.58 1.03 0.00 0.00 0.00 179.25 181.37 1u7j h SER 22 N 0.97 0.83 -0.80 0.00 0.87 -1.64 0.40 113.55 114.17 1u7j h SER 22 Ca 0.25 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1u7j h SER 22 Cb 0.01 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 1u7j h SER 22 CO -0.04 0.41 0.52 -0.08 -0.53 0.00 0.00 176.83 177.12 1u7j h GLU 23 N 0.89 1.03 -0.06 2.24 4.81 -1.46 0.52 114.58 122.55 1u7j h GLU 23 Ca 0.49 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 59.43 1u7j h GLU 23 Cb 0.55 -0.23 0.02 0.00 0.63 0.00 0.00 28.75 29.71 1u7j h GLU 23 CO -0.29 0.68 -0.87 -0.09 -0.73 0.00 0.00 179.01 177.71 1u7j h ARG 24 N 1.06 0.70 -0.02 1.92 2.43 -1.34 -3.35 114.38 115.77 1u7j h ARG 24 Ca 0.30 -0.67 -0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1u7j h ARG 24 Cb -0.09 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1u7j h ARG 24 CO -0.08 1.26 0.00 0.28 -1.51 0.00 0.00 179.97 179.93 1u7j h VAL 25 N 0.38 1.22 -2.90 0.20 2.07 -0.77 -3.49 116.25 112.95 1u7j h VAL 25 Ca -0.09 -0.66 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 1u7j h VAL 25 Cb 1.52 1.62 0.05 0.00 -1.52 0.00 0.00 31.29 32.96 1u7j h VAL 25 CO 0.17 0.18 -0.24 0.61 0.02 0.00 0.00 177.57 178.31 1u7j n GLY 26 N -0.36 0.32 3.59 2.17 0.00 0.16 -5.08 105.19 105.99 1u7j n GLY 26 Ca -0.07 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.27 4.89 0.10 1.61 1.01 -1.26 -5.05 116.67 114.71 1u7j s ASP 27 Ca 0.11 -0.00 -0.13 0.00 0.71 0.00 0.00 52.55 53.23 1u7j s ASP 27 Cb -0.05 -1.48 -0.12 0.00 1.01 0.00 0.00 42.92 42.29 1u7j s ASP 27 CO 0.25 0.30 1.36 1.55 0.21 0.00 0.00 175.17 178.83 1u7j h PRO 28 N 5.72 0.78 -0.11 8.23 0.13 -1.98 -2.43 132.00 142.35 1u7j h PRO 28 Ca -0.43 -0.53 -0.06 0.00 -0.87 0.00 0.00 66.00 64.10 1u7j h PRO 28 Cb 1.18 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1u7j h PRO 28 CO 0.57 1.16 -0.21 -0.24 -0.23 0.00 0.00 178.00 179.05 1u7j h VAL 29 N 0.53 1.20 -0.32 1.56 3.04 -1.98 -0.34 116.25 119.95 1u7j h VAL 29 Ca -0.00 -0.94 -0.18 0.00 -1.01 0.00 0.00 66.70 64.57 1u7j h VAL 29 Cb 1.17 1.35 -0.00 0.00 -2.01 0.00 0.00 31.29 31.80 1u7j h VAL 29 CO 0.12 0.28 -0.50 0.25 -1.01 0.00 0.00 177.57 176.72 1u7j h LEU 30 N 0.17 1.00 -1.04 3.16 6.46 -1.96 0.09 115.31 123.19 1u7j h LEU 30 Ca 0.03 -0.51 -0.06 0.00 -0.12 0.00 0.00 57.88 57.22 1u7j h LEU 30 Cb 0.47 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1u7j h LEU 30 CO 0.03 1.32 0.05 0.00 -0.62 0.00 0.00 178.44 179.21 1u7j h ALA 31 N 0.71 1.21 -0.24 1.25 0.00 -1.19 -2.93 119.26 118.06 1u7j h ALA 31 Ca 0.03 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1u7j h ALA 31 Cb 1.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1u7j h ALA 31 CO 0.11 0.53 -0.21 -0.22 0.00 0.00 0.00 179.25 179.46 1u7j h LYS 32 N 0.70 0.44 -0.29 0.00 1.63 -0.71 -2.87 116.57 115.47 1u7j h LYS 32 Ca 0.15 -0.15 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1u7j h LYS 32 Cb 0.36 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1u7j h LYS 32 CO 0.01 0.63 0.17 0.82 -3.45 0.00 0.00 179.45 177.62 1u7j h ILE 33 N 0.40 1.03 -0.43 2.00 2.04 -0.80 -1.50 117.51 120.24 1u7j h ILE 33 Ca 0.06 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1u7j h ILE 33 Cb 0.59 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1u7j h ILE 33 CO 0.04 0.06 0.28 0.17 0.00 0.00 0.00 178.15 178.71 1u7j h LEU 34 N 0.34 0.48 -0.60 1.44 8.10 -1.41 -1.13 115.31 122.54 1u7j h LEU 34 Ca 0.11 -0.01 -0.08 0.00 0.11 0.00 0.00 57.88 58.01 1u7j h LEU 34 Cb -0.00 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 40.07 1u7j h LEU 34 CO -0.05 0.35 0.07 -0.33 -4.11 0.00 0.00 178.44 174.37 1u7j h GLU 35 N 0.57 1.01 -0.16 0.17 4.39 -1.17 -2.70 114.58 116.69 1u7j h GLU 35 Ca 0.16 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.47 1u7j h GLU 35 Cb -0.05 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1u7j h GLU 35 CO -0.04 0.96 -0.37 -0.44 -1.16 0.00 0.00 179.01 177.96 1u7j h ASP 36 N 0.91 0.36 0.00 1.42 5.19 -0.85 -3.11 116.42 120.34 1u7j h ASP 36 Ca 0.18 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1u7j h ASP 36 Cb 0.46 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1u7j h ASP 36 CO 0.02 0.70 0.00 -0.62 -3.12 0.00 0.00 179.24 176.22 1u7j n GLU 37 N -4.05 0.39 -0.14 3.56 -0.58 -0.47 -3.28 120.64 116.08 1u7j n GLU 37 Ca -0.01 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.44 1u7j n GLU 37 Cb 0.46 -1.19 -0.10 0.00 -0.57 0.00 0.00 31.44 30.05 1u7j n GLU 37 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1u7j n GLU 38 N -0.69 0.59 -0.13 3.49 -0.58 -1.17 -4.08 120.64 118.07 1u7j n GLU 38 Ca 0.03 0.29 0.09 0.00 -0.42 0.00 0.00 57.16 57.15 1u7j n GLU 38 Cb 0.02 -1.52 0.42 0.00 -0.57 0.00 0.00 31.44 29.79 1u7j n GLU 38 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1u7j h LYS 39 N -0.99 0.58 0.00 3.49 6.56 -1.70 -1.58 116.57 122.92 1u7j h LYS 39 Ca -0.67 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 58.88 1u7j h LYS 39 Cb 1.59 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 33.12 1u7j h LYS 39 CO -0.41 0.38 0.00 0.72 -2.06 0.00 0.00 179.45 178.09 1u7j n HIS 40 N -4.48 0.00 0.00 -1.35 8.25 -1.21 -2.45 115.22 113.98 1u7j n HIS 40 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1u7j n HIS 40 Cb 0.28 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1u7j n HIS 40 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1u7j n ILE 41 N -1.22 0.00 -0.02 1.59 0.13 -0.62 -4.30 119.36 114.93 1u7j n ILE 41 Ca 0.01 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.53 1u7j n ILE 41 Cb 0.01 -0.45 -0.10 0.00 -0.84 0.00 0.00 39.64 38.25 1u7j n ILE 41 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 1u7j h GLU 42 N 0.00 -0.01 0.00 9.51 4.81 -1.38 -3.01 114.58 124.50 1u7j h GLU 42 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1u7j h GLU 42 Cb 0.61 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1u7j h GLU 42 CO 0.00 0.57 -0.40 -1.49 -0.73 0.00 0.00 179.01 176.96 1u7j h TRP 43 N -0.59 0.00 0.24 0.92 6.55 -1.78 -3.16 115.95 118.13 1u7j h TRP 43 Ca -0.00 0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.85 1u7j h TRP 43 Cb 0.58 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.85 1u7j h TRP 43 CO 0.13 0.40 -0.33 1.25 -1.05 0.00 0.00 178.44 178.85 1u7j h LEU 44 N 0.00 -0.91 -0.91 -4.49 6.46 -1.74 0.49 115.31 114.22 1u7j h LEU 44 Ca -0.00 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 1u7j h LEU 44 Cb 0.90 0.32 -0.04 0.00 -0.73 0.00 0.00 40.66 41.12 1u7j h LEU 44 CO 0.05 -0.44 0.35 -0.08 -0.62 0.00 0.00 178.44 177.70 1u7j h GLU 45 N -0.63 1.14 -0.03 1.25 4.22 -1.61 -1.80 114.58 117.13 1u7j h GLU 45 Ca 0.00 -0.18 0.01 0.00 0.08 0.00 0.00 59.36 59.27 1u7j h GLU 45 Cb 0.60 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1u7j h GLU 45 CO -0.12 0.90 0.03 1.15 -2.18 0.00 0.00 179.01 178.79 1u7j h THR 46 N 1.13 0.48 0.00 0.32 2.02 -1.44 -1.81 112.91 113.60 1u7j h THR 46 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1u7j h THR 46 Cb 0.15 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1u7j h THR 46 CO -0.03 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.86 1u7j n ILE 47 N -3.78 1.02 0.67 3.11 0.13 0.13 -2.61 119.36 118.03 1u7j n ILE 47 Ca -0.02 0.25 0.08 0.00 -1.10 0.00 0.00 62.75 61.96 1u7j n ILE 47 Cb 0.12 -1.03 0.39 0.00 -0.84 0.00 0.00 39.64 38.28 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 -1.47 0.00 0.00 9.51 2.85 -0.68 -5.00 115.26 120.47 1u7j n ASN 48 Ca 0.04 0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 1u7j n ASN 48 Cb 0.15 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 40.75 1u7j n ASN 48 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76