#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 -0.02 0.31 6.12 1.11 -1.26 -5.07 116.67 117.85 1u7j s ASP 2 Ca 0.00 -0.08 0.00 0.00 0.18 0.00 0.00 52.55 52.65 1u7j s ASP 2 Cb 0.00 0.24 0.00 0.00 1.07 0.00 0.00 42.92 44.23 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 1.83 -3.07 0.33 4.23 9.36 -1.26 -4.95 117.16 123.62 1u7j n TYR 3 Ca -0.20 0.79 0.20 0.00 3.32 0.00 0.00 57.90 62.01 1u7j n TYR 3 Cb 0.56 1.80 1.12 0.00 -0.63 0.00 0.00 39.34 42.19 1u7j n TYR 3 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1u7j h LEU 4 N 0.00 0.00 -1.09 2.98 4.07 -1.97 -2.19 115.31 117.10 1u7j h LEU 4 Ca 0.00 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.99 1u7j h LEU 4 Cb 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 1u7j h LEU 4 CO 0.00 0.00 0.61 -0.09 -1.08 0.00 0.00 178.44 177.89 1u7j h ARG 5 N 0.00 1.17 -0.47 1.13 2.43 -1.95 0.53 114.38 117.22 1u7j h ARG 5 Ca -0.00 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 1u7j h ARG 5 Cb 0.01 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 1u7j h ARG 5 CO 0.00 0.77 -0.14 0.93 -1.51 0.00 0.00 179.97 180.02 1u7j h GLU 6 N 1.20 0.93 -0.72 0.20 5.08 -1.78 -1.84 114.58 117.65 1u7j h GLU 6 Ca 0.36 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1u7j h GLU 6 Cb -0.04 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1u7j h GLU 6 CO -0.10 1.03 0.30 -0.07 -1.00 0.00 0.00 179.01 179.16 1u7j h LEU 7 N 0.77 0.98 0.14 1.33 4.07 -1.52 -1.18 115.31 119.91 1u7j h LEU 7 Ca 0.12 -0.17 0.01 0.00 0.08 0.00 0.00 57.88 57.92 1u7j h LEU 7 Cb 0.70 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 1u7j h LEU 7 CO 0.05 0.88 -0.24 0.22 -1.08 0.00 0.00 178.44 178.27 1u7j h TYR 8 N 1.02 -0.64 0.00 1.13 3.20 -0.87 0.18 116.97 120.99 1u7j h TYR 8 Ca 0.24 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1u7j h TYR 8 Cb 0.20 0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1u7j h TYR 8 CO 0.01 -0.34 0.00 1.63 -1.64 0.00 0.00 178.16 177.82 1u7j n LYS 9 N -5.36 0.64 -0.00 1.82 5.02 -0.70 -1.11 118.16 118.46 1u7j n LYS 9 Ca -0.07 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1u7j n LYS 9 Cb 0.27 -1.17 -0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.14 2.70 0.02 -0.35 4.77 -0.47 -4.50 117.00 119.03 1u7j n LEU 10 Ca 0.00 -0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 1u7j n LEU 10 Cb 0.08 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1u7j n LEU 10 CO 0.00 0.45 0.20 -0.33 -1.33 0.00 0.00 177.39 176.38 1u7j h GLU 11 N -0.00 0.43 -0.12 3.23 4.39 -0.31 -0.19 114.58 122.01 1u7j h GLU 11 Ca -0.00 -0.49 -0.14 0.00 0.34 0.00 0.00 59.36 59.07 1u7j h GLU 11 Cb 1.00 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1u7j h GLU 11 CO -0.00 1.15 -0.55 1.96 -1.16 0.00 0.00 179.01 180.40 1u7j h GLN 12 N -0.09 0.35 -0.34 2.33 1.08 -1.35 -0.03 115.11 117.08 1u7j h GLN 12 Ca -0.09 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1u7j h GLN 12 Cb 1.40 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.84 1u7j h GLN 12 CO 0.13 0.81 0.22 1.96 -0.95 0.00 0.00 178.83 181.00 1u7j h GLN 13 N 0.27 0.45 -0.40 1.46 1.08 -1.71 -1.97 115.11 114.29 1u7j h GLN 13 Ca 0.00 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1u7j h GLN 13 Cb 1.06 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 1u7j h GLN 13 CO 0.09 0.32 0.19 0.00 -0.95 0.00 0.00 178.83 178.48 1u7j h ALA 14 N 1.11 0.52 -0.66 3.87 0.00 -0.93 -3.12 119.26 120.05 1u7j h ALA 14 Ca 0.12 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1u7j h ALA 14 Cb -0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.51 1u7j h ALA 14 CO -0.03 0.08 0.20 1.98 0.00 0.00 0.00 179.25 181.49 1u7j h MET 15 N 0.51 0.33 -0.33 0.00 1.85 -0.78 0.22 114.93 116.73 1u7j h MET 15 Ca 0.14 -0.02 0.09 0.00 -0.61 0.00 0.00 59.70 59.30 1u7j h MET 15 Cb 0.12 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.06 1u7j h MET 15 CO -0.02 0.22 0.26 -0.22 -0.40 0.00 0.00 176.91 176.75 1u7j h LYS 16 N 0.34 0.00 0.00 0.39 3.64 -1.29 -2.78 116.57 116.86 1u7j h LYS 16 Ca 0.35 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.36 1u7j h LYS 16 Cb 0.52 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.27 1u7j h LYS 16 CO -0.39 0.00 -2.40 1.28 -2.27 0.00 0.00 179.45 175.66 1u7j n LEU 17 N -4.24 1.00 -0.23 5.20 4.77 -0.52 -4.03 117.00 118.95 1u7j n LEU 17 Ca 0.05 -0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.93 1u7j n LEU 17 Cb 0.43 0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1u7j n LEU 17 CO 0.34 0.64 1.14 1.88 -1.33 0.00 0.00 177.39 180.06 1u7j h TYR 18 N 0.00 0.81 -0.77 -1.77 0.05 -0.37 0.79 116.97 115.70 1u7j h TYR 18 Ca -0.55 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.21 1u7j h TYR 18 Cb 2.12 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 39.55 1u7j h TYR 18 CO 0.01 0.51 0.32 0.07 -1.05 0.00 0.00 178.16 178.02 1u7j h ARG 19 N 0.87 1.13 -0.17 4.88 0.11 -1.71 -1.08 114.38 118.41 1u7j h ARG 19 Ca 0.23 -0.19 -0.04 0.00 0.10 0.00 0.00 59.98 60.08 1u7j h ARG 19 Cb -0.10 -0.19 -0.00 0.00 1.11 0.00 0.00 29.97 30.79 1u7j h ARG 19 CO -0.05 0.91 -0.06 1.49 0.10 0.00 0.00 179.97 182.36 1u7j h GLU 20 N 1.10 0.33 -0.48 0.08 4.81 -1.55 -1.34 114.58 117.54 1u7j h GLU 20 Ca 0.26 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1u7j h GLU 20 Cb 0.19 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1u7j h GLU 20 CO -0.02 0.62 0.25 0.00 -0.73 0.00 0.00 179.01 179.12 1u7j h ALA 21 N 0.70 0.60 -0.74 2.92 0.00 -0.88 -2.58 119.26 119.28 1u7j h ALA 21 Ca 0.04 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1u7j h ALA 21 Cb 0.51 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1u7j h ALA 21 CO 0.02 -0.10 0.42 1.03 0.00 0.00 0.00 179.25 180.62 1u7j h SER 22 N 0.49 0.61 0.00 0.00 0.87 -1.02 0.13 113.55 114.62 1u7j h SER 22 Ca 0.21 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1u7j h SER 22 Cb 0.10 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1u7j h SER 22 CO -0.14 0.38 0.00 1.21 -0.53 0.00 0.00 176.83 177.75 1u7j n GLU 23 N -4.76 0.27 0.00 2.24 4.07 -0.52 -1.41 120.64 120.52 1u7j n GLU 23 Ca 0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 1u7j n GLU 23 Cb 0.21 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.23 1u7j n GLU 23 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1u7j n ARG 24 N -0.85 0.06 0.11 5.31 3.00 -0.66 -4.90 116.66 118.72 1u7j n ARG 24 Ca 0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.70 1u7j n ARG 24 Cb 0.02 -0.71 -0.14 0.00 0.00 0.00 0.00 32.46 31.64 1u7j n ARG 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1u7j h VAL 25 N 0.00 1.42 0.00 1.55 2.07 -0.78 -3.48 116.25 117.02 1u7j h VAL 25 Ca 0.00 -2.87 0.00 0.00 0.82 0.00 0.00 66.70 64.65 1u7j h VAL 25 Cb 0.41 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1u7j h VAL 25 CO 0.00 0.85 0.00 0.61 0.02 0.00 0.00 177.57 179.05 1u7j n GLY 26 N 1.53 0.46 3.74 2.17 0.00 -0.50 -5.01 105.19 107.58 1u7j n GLY 26 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.34 6.64 0.23 1.61 1.01 -1.26 -4.95 116.67 117.61 1u7j s ASP 27 Ca 0.00 2.67 -0.03 0.00 0.71 0.00 0.00 52.55 55.90 1u7j s ASP 27 Cb 0.00 -2.62 0.23 0.00 1.01 0.00 0.00 42.92 41.54 1u7j s ASP 27 CO 0.00 -0.71 1.65 1.55 0.21 0.00 0.00 175.17 177.87 1u7j h PRO 28 N 5.09 0.72 -0.06 8.23 0.13 -1.99 -2.52 132.00 141.61 1u7j h PRO 28 Ca -0.46 -0.28 -0.02 0.00 -0.87 0.00 0.00 66.00 64.37 1u7j h PRO 28 Cb 1.22 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1u7j h PRO 28 CO 0.78 0.88 -0.06 -0.24 -0.23 0.00 0.00 178.00 179.13 1u7j h VAL 29 N 0.63 1.08 -0.52 1.56 3.04 -1.98 -0.85 116.25 119.21 1u7j h VAL 29 Ca 0.09 -0.36 -0.11 0.00 -1.01 0.00 0.00 66.70 65.31 1u7j h VAL 29 Cb 0.71 1.11 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 1u7j h VAL 29 CO 0.05 0.11 -0.12 0.25 -1.01 0.00 0.00 177.57 176.85 1u7j h LEU 30 N 0.08 0.98 -0.71 3.16 6.46 -1.85 -1.33 115.31 122.10 1u7j h LEU 30 Ca 0.02 -0.32 -0.12 0.00 -0.12 0.00 0.00 57.88 57.33 1u7j h LEU 30 Cb 0.17 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 1u7j h LEU 30 CO 0.01 1.10 -0.29 0.00 -0.62 0.00 0.00 178.44 178.64 1u7j h ALA 31 N 0.98 0.88 -0.27 1.25 0.00 -1.30 -3.22 119.26 117.58 1u7j h ALA 31 Ca 0.13 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1u7j h ALA 31 Cb 0.67 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1u7j h ALA 31 CO 0.05 0.63 -0.05 0.87 0.00 0.00 0.00 179.25 180.75 1u7j h LYS 32 N 0.58 0.43 -0.45 0.00 1.79 -0.76 -2.58 116.57 115.58 1u7j h LYS 32 Ca 0.07 -0.10 0.07 0.00 -2.18 0.00 0.00 60.65 58.52 1u7j h LYS 32 Cb 0.79 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 1u7j h LYS 32 CO 0.06 0.50 0.31 0.82 -1.08 0.00 0.00 179.45 180.06 1u7j h ILE 33 N 0.41 0.92 -0.55 1.86 2.04 -1.26 -2.46 117.51 118.48 1u7j h ILE 33 Ca 0.09 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1u7j h ILE 33 Cb 0.35 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1u7j h ILE 33 CO 0.02 0.05 0.37 -0.07 0.00 0.00 0.00 178.15 178.52 1u7j h LEU 34 N 0.30 0.52 -0.37 1.44 3.38 -1.58 -0.99 115.31 118.02 1u7j h LEU 34 Ca 0.20 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1u7j h LEU 34 Cb 0.42 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1u7j h LEU 34 CO -0.04 0.36 0.01 -0.33 0.09 0.00 0.00 178.44 178.53 1u7j h GLU 35 N 0.61 0.64 0.14 1.13 4.39 -1.59 -2.11 114.58 117.79 1u7j h GLU 35 Ca 0.23 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1u7j h GLU 35 Cb 0.14 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1u7j h GLU 35 CO -0.06 0.74 -0.07 -0.44 -1.16 0.00 0.00 179.01 178.02 1u7j h ASP 36 N 0.46 -0.15 0.70 1.42 3.32 -1.52 -3.14 116.42 117.51 1u7j h ASP 36 Ca 0.11 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1u7j h ASP 36 Cb 0.44 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1u7j h ASP 36 CO 0.02 0.12 0.00 -0.33 -1.72 0.00 0.00 179.24 177.33 1u7j h GLU 37 N -0.44 0.00 0.25 3.56 4.39 -1.22 -1.58 114.58 119.54 1u7j h GLU 37 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1u7j h GLU 37 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1u7j h GLU 37 CO 0.03 0.00 -0.12 1.49 -1.16 0.00 0.00 179.01 179.25 1u7j h GLU 38 N 0.00 -0.33 -0.79 2.33 4.22 -1.38 -3.28 114.58 115.35 1u7j h GLU 38 Ca 0.00 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.50 1u7j h GLU 38 Cb 0.35 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1u7j h GLU 38 CO 0.00 0.03 0.52 0.87 -2.18 0.00 0.00 179.01 178.25 1u7j h LYS 39 N -0.83 0.92 0.00 1.92 6.56 -1.43 -2.05 116.57 121.67 1u7j h LYS 39 Ca -0.03 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 1u7j h LYS 39 Cb 0.51 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 1u7j h LYS 39 CO 0.06 0.61 0.00 0.72 -2.06 0.00 0.00 179.45 178.78 1u7j n HIS 40 N -4.46 0.00 -0.03 -1.35 8.25 -0.63 -1.60 115.22 115.41 1u7j n HIS 40 Ca 0.10 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1u7j n HIS 40 Cb 0.13 -0.18 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.18 0.41 0.05 1.59 0.13 -0.78 -3.67 119.36 115.92 1u7j n ILE 41 Ca 0.02 -0.21 -0.13 0.00 -1.10 0.00 0.00 62.75 61.33 1u7j n ILE 41 Cb 0.02 -0.81 -0.08 0.00 -0.84 0.00 0.00 39.64 37.93 1u7j n ILE 41 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1u7j h GLU 42 N 0.00 -0.12 -0.28 9.51 5.08 -1.51 -2.40 114.58 124.87 1u7j h GLU 42 Ca -0.16 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1u7j h GLU 42 Cb 1.32 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1u7j h GLU 42 CO -0.01 0.16 -0.20 -1.49 -1.00 0.00 0.00 179.01 176.47 1u7j h TRP 43 N -0.39 0.56 -0.22 4.33 6.55 -1.54 0.55 115.95 125.78 1u7j h TRP 43 Ca -0.01 -0.11 -0.09 0.00 0.95 0.00 0.00 58.89 59.62 1u7j h TRP 43 Cb 0.33 -0.14 -0.01 0.00 -0.86 0.00 0.00 29.16 28.48 1u7j h TRP 43 CO 0.02 0.68 -0.27 1.25 -1.05 0.00 0.00 178.44 179.07 1u7j h LEU 44 N 0.46 0.43 0.16 -4.49 5.85 -1.63 -2.79 115.31 113.29 1u7j h LEU 44 Ca 0.07 -0.15 -0.32 0.00 0.84 0.00 0.00 57.88 58.33 1u7j h LEU 44 Cb 0.61 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.53 1u7j h LEU 44 CO 0.04 0.70 -1.53 -0.08 -0.34 0.00 0.00 178.44 177.23 1u7j h GLU 45 N 0.38 0.33 -0.72 1.25 4.57 -1.17 -3.36 114.58 115.86 1u7j h GLU 45 Ca 0.05 -0.57 0.06 0.00 -1.18 0.00 0.00 59.36 57.73 1u7j h GLU 45 Cb 0.67 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.43 1u7j h GLU 45 CO 0.05 1.23 0.48 1.15 -1.18 0.00 0.00 179.01 180.73 1u7j h THR 46 N 0.09 1.03 0.00 0.32 2.02 -0.88 -2.67 112.91 112.83 1u7j h THR 46 Ca -0.25 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1u7j h THR 46 Cb 2.05 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1u7j h THR 46 CO 0.19 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.22 1u7j n ILE 47 N -4.48 0.27 0.26 3.11 0.13 -1.06 -3.36 119.36 114.24 1u7j n ILE 47 Ca 0.10 0.07 0.10 0.00 -1.10 0.00 0.00 62.75 61.92 1u7j n ILE 47 Cb 0.22 -0.73 0.68 0.00 -0.84 0.00 0.00 39.64 38.97 1u7j n ILE 47 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 1u7j h ASN 48 N 0.00 0.00 0.00 9.51 2.35 -1.68 -3.52 115.58 122.24 1u7j h ASN 48 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u7j h ASN 48 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1u7j h ASN 48 CO 0.00 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 176.46