#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq5 n SER 2 N 0.00 -0.83 -0.25 1.61 2.88 -1.26 -4.93 113.62 110.84 1aq5 n SER 2 Ca 0.00 0.27 -0.02 0.00 -1.33 0.00 0.00 58.87 57.80 1aq5 n SER 2 Cb 0.00 0.96 0.04 0.00 -0.75 0.00 0.00 64.21 64.46 1aq5 n SER 2 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1aq5 h HIS 3 N 0.00 -0.72 -5.54 0.66 -0.00 -2.09 -3.46 115.15 104.00 1aq5 h HIS 3 Ca 0.00 0.07 -0.07 0.00 -0.00 0.00 0.00 60.37 60.37 1aq5 h HIS 3 Cb 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 1aq5 h HIS 3 CO 0.00 -0.36 -0.72 -0.12 -0.00 0.00 0.00 177.93 176.73 1aq5 n MET 4 N -5.47 -2.39 -0.28 5.26 1.56 -1.26 -4.98 117.12 109.56 1aq5 n MET 4 Ca 0.07 2.05 -0.07 0.00 -0.27 0.00 0.00 57.70 59.48 1aq5 n MET 4 Cb 0.37 -4.79 0.06 0.00 2.15 0.00 0.00 33.22 31.01 1aq5 n MET 4 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1aq5 n GLU 5 N -0.07 -1.41 -1.59 2.12 2.13 -1.26 -4.93 120.64 115.64 1aq5 n GLU 5 Ca 0.06 -0.44 -0.38 0.00 0.66 0.00 0.00 57.16 57.06 1aq5 n GLU 5 Cb 0.44 -0.40 0.04 0.00 0.27 0.00 0.00 31.44 31.80 1aq5 n GLU 5 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1aq5 n GLU 6 N -2.26 0.89 -3.16 5.31 0.28 -1.26 -4.99 120.64 115.46 1aq5 n GLU 6 Ca 0.04 0.34 0.05 0.00 -0.16 0.00 0.00 57.16 57.43 1aq5 n GLU 6 Cb 0.14 -2.07 -0.03 0.00 1.43 0.00 0.00 31.44 30.92 1aq5 n GLU 6 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1aq5 s ASP 7 N -1.17 -0.05 -0.03 -1.84 -1.08 -1.26 -5.03 116.67 106.21 1aq5 s ASP 7 Ca 0.73 0.04 -0.06 0.00 -0.52 0.00 0.00 52.55 52.75 1aq5 s ASP 7 Cb -0.44 1.05 -0.03 0.00 -1.46 0.00 0.00 42.92 42.04 1aq5 s ASP 7 CO 0.50 -0.01 0.37 1.55 0.52 0.00 0.00 175.17 178.09 1aq5 h PRO 8 N 7.73 -0.20 -1.23 4.34 0.13 -2.03 -3.37 132.00 137.36 1aq5 h PRO 8 Ca -0.11 0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.38 1aq5 h PRO 8 Cb 1.16 0.05 -0.34 0.00 0.13 0.00 0.00 31.00 32.00 1aq5 h PRO 8 CO -0.16 -0.13 0.26 0.00 -0.23 0.00 0.00 178.00 177.74 1aq5 n GLU 10 N -0.72 -1.60 0.01 0.00 1.02 -1.26 -4.69 120.64 113.40 1aq5 n GLU 10 Ca 0.53 0.22 0.21 0.00 -0.02 0.00 0.00 57.16 58.10 1aq5 n GLU 10 Cb 0.65 -4.77 0.56 0.00 -0.02 0.00 0.00 31.44 27.86 1aq5 n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aq5 n LYS 12 N -3.33 5.21 0.07 0.00 4.76 -1.26 -4.51 118.16 119.10 1aq5 n LYS 12 Ca 0.12 -0.02 -0.03 0.00 -2.87 0.00 0.00 58.31 55.51 1aq5 n LYS 12 Cb 1.01 -0.43 -0.07 0.00 -1.84 0.00 0.00 35.03 33.70 1aq5 n LYS 12 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1aq5 h SER 13 N 0.00 0.00 0.27 4.39 0.02 -1.23 -0.79 113.55 116.21 1aq5 h SER 13 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1aq5 h SER 13 Cb 0.01 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.57 1aq5 h SER 13 CO 0.00 0.79 -1.60 0.40 -1.14 0.00 0.00 176.83 175.28 1aq5 h ILE 14 N 0.00 1.13 0.00 3.27 2.04 -1.59 -2.66 117.51 119.70 1aq5 h ILE 14 Ca -0.07 -2.65 -0.03 0.00 1.00 0.00 0.00 64.86 63.11 1aq5 h ILE 14 Cb 1.66 2.89 -0.00 0.00 -0.74 0.00 0.00 36.82 40.62 1aq5 h ILE 14 CO 0.09 0.84 -0.14 0.58 0.00 0.00 0.00 178.15 179.52 1aq5 h VAL 15 N 0.12 0.25 -0.11 1.67 2.07 -1.76 -2.23 116.25 116.26 1aq5 h VAL 15 Ca -0.29 -1.29 -0.12 0.00 0.82 0.00 0.00 66.70 65.83 1aq5 h VAL 15 Cb 2.12 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 1aq5 h VAL 15 CO 0.22 0.14 -0.40 0.50 0.02 0.00 0.00 177.57 178.05 1aq5 h LYS 16 N 0.00 0.46 -0.01 1.57 1.63 -1.18 -2.59 116.57 116.46 1aq5 h LYS 16 Ca -0.00 -0.35 -0.06 0.00 -0.85 0.00 0.00 60.65 59.39 1aq5 h LYS 16 Cb 1.05 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 1aq5 h LYS 16 CO 0.02 0.98 -0.27 0.35 -3.45 0.00 0.00 179.45 177.07 1aq5 h PHE 17 N 0.04 0.01 -0.40 1.91 3.04 -1.42 -2.58 116.94 117.54 1aq5 h PHE 17 Ca -0.02 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1aq5 h PHE 17 Cb 1.03 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.51 1aq5 h PHE 17 CO 0.11 0.28 0.25 1.96 -2.02 0.00 0.00 178.31 178.89 1aq5 h GLN 18 N 0.01 0.54 -0.57 1.11 4.20 -1.11 -1.61 115.11 117.67 1aq5 h GLN 18 Ca -0.00 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.70 1aq5 h GLN 18 Cb 0.49 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1aq5 h GLN 18 CO 0.04 0.39 0.38 1.15 -0.67 0.00 0.00 178.83 180.11 1aq5 h THR 19 N 0.53 1.06 -0.24 -0.54 2.02 -1.08 0.22 112.91 114.88 1aq5 h THR 19 Ca 0.14 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1aq5 h THR 19 Cb -0.02 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1aq5 h THR 19 CO -0.03 0.12 -0.03 0.11 0.37 0.00 0.00 175.52 176.06 1aq5 h LYS 20 N 0.66 0.36 0.00 6.66 1.57 -1.19 0.08 116.57 124.70 1aq5 h LYS 20 Ca 0.23 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1aq5 h LYS 20 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1aq5 h LYS 20 CO -0.06 0.41 0.00 0.28 -0.57 0.00 0.00 179.45 179.51 1aq5 h VAL 21 N 0.35 0.00 -0.05 0.50 2.07 -0.06 -2.40 116.25 116.66 1aq5 h VAL 21 Ca 0.08 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1aq5 h VAL 21 Cb 0.29 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1aq5 h VAL 21 CO 0.01 0.00 -0.13 -0.33 0.02 0.00 0.00 177.57 177.14 1aq5 h GLU 22 N 0.00 0.17 0.00 1.57 5.08 0.11 -1.16 114.58 120.35 1aq5 h GLU 22 Ca 0.00 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.08 1aq5 h GLU 22 Cb 0.95 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1aq5 h GLU 22 CO 0.00 0.74 -0.73 1.05 -1.00 0.00 0.00 179.01 179.07 1aq5 h GLU 23 N -0.36 0.00 -0.28 2.33 4.11 -1.48 -2.75 114.58 116.15 1aq5 h GLU 23 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1aq5 h GLU 23 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1aq5 h GLU 23 CO 0.03 0.73 -0.28 1.25 0.07 0.00 0.00 179.01 180.80 1aq5 h LEU 24 N 0.00 0.73 -0.79 3.06 5.85 -1.44 -2.31 115.31 120.40 1aq5 h LEU 24 Ca -0.01 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1aq5 h LEU 24 Cb 1.29 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1aq5 h LEU 24 CO 0.09 1.05 0.30 0.40 -0.34 0.00 0.00 178.44 179.95 1aq5 h ILE 25 N 0.41 1.26 -0.85 4.05 5.03 -1.19 -1.79 117.51 124.44 1aq5 h ILE 25 Ca 0.04 -0.85 -0.02 0.00 -0.12 0.00 0.00 64.86 63.91 1aq5 h ILE 25 Cb 0.85 0.33 -0.04 0.00 -3.03 0.00 0.00 36.82 34.93 1aq5 h ILE 25 CO 0.07 0.34 0.46 -1.13 -0.68 0.00 0.00 178.15 177.21 1aq5 h ASN 26 N 1.16 1.08 0.12 1.72 -1.24 -1.39 -1.51 115.58 115.52 1aq5 h ASN 26 Ca 0.26 -0.11 -0.05 0.00 0.71 0.00 0.00 56.30 57.11 1aq5 h ASN 26 Cb 0.24 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 1aq5 h ASN 26 CO -0.02 0.88 -0.19 0.74 -1.29 0.00 0.00 177.43 177.55 1aq5 h THR 27 N 1.20 1.19 -0.11 -3.57 2.02 -0.87 -0.87 112.91 111.90 1aq5 h THR 27 Ca 0.30 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 66.54 1aq5 h THR 27 Cb 0.05 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1aq5 h THR 27 CO -0.05 0.26 -0.25 -0.07 0.37 0.00 0.00 175.52 175.79 1aq5 h LEU 28 N 0.15 0.41 -0.84 2.58 3.38 -0.47 -1.57 115.31 118.95 1aq5 h LEU 28 Ca 0.03 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1aq5 h LEU 28 Cb 0.43 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1aq5 h LEU 28 CO 0.03 0.90 0.00 1.67 0.09 0.00 0.00 178.44 181.13 1aq5 n GLN 29 N -4.47 0.19 -0.07 1.13 7.27 -0.67 -1.23 117.38 119.54 1aq5 n GLN 29 Ca -0.07 0.46 -0.09 0.00 0.07 0.00 0.00 57.00 57.37 1aq5 n GLN 29 Cb 0.44 -1.89 -0.08 0.00 2.41 0.00 0.00 30.24 31.12 1aq5 n GLN 29 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1aq5 h GLN 30 N 0.00 0.00 0.00 3.69 1.08 -0.78 -1.83 115.11 117.28 1aq5 h GLN 30 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1aq5 h GLN 30 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1aq5 h GLN 30 CO 0.00 0.61 0.00 0.87 -0.95 0.00 0.00 178.83 179.36 1aq5 h LYS 31 N -1.00 0.00 0.00 1.46 1.57 -1.13 -1.65 116.57 115.82 1aq5 h LYS 31 Ca -0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1aq5 h LYS 31 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1aq5 h LYS 31 CO -0.02 0.00 -0.33 1.25 -0.57 0.00 0.00 179.45 179.79 1aq5 h LEU 32 N 0.00 0.01 -1.80 2.94 5.85 -1.21 -0.98 115.31 120.13 1aq5 h LEU 32 Ca 0.00 -0.88 -0.01 0.00 0.84 0.00 0.00 57.88 57.83 1aq5 h LEU 32 Cb 0.27 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1aq5 h LEU 32 CO 0.00 1.13 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.83 1aq5 h GLU 33 N -0.99 0.00 0.10 1.25 4.39 -1.09 -1.86 114.58 116.39 1aq5 h GLU 33 Ca -0.09 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.31 1aq5 h GLU 33 Cb 1.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1aq5 h GLU 33 CO -0.05 0.07 -1.56 0.00 -1.16 0.00 0.00 179.01 176.31 1aq5 h ALA 34 N 1.93 0.34 -0.64 3.43 0.00 -1.39 -3.10 119.26 119.83 1aq5 h ALA 34 Ca -0.00 -1.16 0.05 0.00 0.00 0.00 0.00 54.91 53.80 1aq5 h ALA 34 Cb 0.41 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1aq5 h ALA 34 CO 0.01 1.20 0.36 0.28 0.00 0.00 0.00 179.25 181.10 1aq5 h VAL 35 N 0.06 0.99 -0.09 0.00 2.07 -0.39 0.14 116.25 119.02 1aq5 h VAL 35 Ca -0.25 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1aq5 h VAL 35 Cb 2.01 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1aq5 h VAL 35 CO 0.15 0.12 -0.19 0.00 0.02 0.00 0.00 177.57 177.67 1aq5 h ALA 36 N 1.33 1.52 -0.05 1.67 0.00 -1.47 -1.54 119.26 120.72 1aq5 h ALA 36 Ca 0.28 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1aq5 h ALA 36 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1aq5 h ALA 36 CO -0.16 0.35 -0.41 0.87 0.00 0.00 0.00 179.25 179.89 1aq5 h LYS 37 N 0.14 0.11 -0.04 0.00 1.57 -0.71 -1.69 116.57 115.95 1aq5 h LYS 37 Ca 0.03 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1aq5 h LYS 37 Cb 0.42 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.74 1aq5 h LYS 37 CO 0.03 0.51 -0.38 0.00 -0.57 0.00 0.00 179.45 179.04 1aq5 h ARG 38 N 0.10 0.33 -0.93 3.15 2.47 -0.21 -2.41 114.38 116.87 1aq5 h ARG 38 Ca 0.01 -0.30 0.07 0.00 -1.26 0.00 0.00 59.98 58.50 1aq5 h ARG 38 Cb 0.77 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 29.10 1aq5 h ARG 38 CO 0.06 0.96 0.60 0.82 0.56 0.00 0.00 179.97 182.97 1aq5 h ILE 39 N -0.21 1.06 -0.51 2.04 2.04 -1.22 0.38 117.51 121.09 1aq5 h ILE 39 Ca -0.04 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1aq5 h ILE 39 Cb 1.06 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1aq5 h ILE 39 CO 0.08 0.19 0.26 -0.33 0.00 0.00 0.00 178.15 178.35 1aq5 h GLU 40 N 1.05 0.71 -0.96 2.37 4.39 -1.24 -0.18 114.58 120.72 1aq5 h GLU 40 Ca 0.40 -0.08 0.09 0.00 0.34 0.00 0.00 59.36 60.12 1aq5 h GLU 40 Cb 0.22 -0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 28.65 1aq5 h GLU 40 CO -0.16 0.54 0.60 0.00 -1.16 0.00 0.00 179.01 178.84 1aq5 h ALA 41 N 1.57 1.39 -0.02 3.43 0.00 0.28 0.17 119.26 126.07 1aq5 h ALA 41 Ca 0.18 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1aq5 h ALA 41 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1aq5 h ALA 41 CO -0.03 0.28 -0.70 -0.07 0.00 0.00 0.00 179.25 178.73 1aq5 h LEU 42 N 1.02 0.14 -1.26 0.00 -0.00 -0.67 -2.66 115.31 111.88 1aq5 h LEU 42 Ca 0.45 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.23 1aq5 h LEU 42 Cb 0.34 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1aq5 h LEU 42 CO -0.22 0.79 0.00 -0.33 -0.00 0.00 0.00 178.44 178.68 1aq5 h GLU 43 N 0.08 0.00 0.00 1.13 5.08 0.86 0.24 114.58 121.97 1aq5 h GLU 43 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1aq5 h GLU 43 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1aq5 h GLU 43 CO 0.10 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.20 1aq5 h ASN 44 N 0.00 0.00 -0.00 1.42 4.21 -0.64 -0.63 115.58 119.94 1aq5 h ASN 44 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1aq5 h ASN 44 Cb 0.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 1aq5 h ASN 44 CO 0.00 0.00 -0.04 0.29 -1.29 0.00 0.00 177.43 176.39 1aq5 n LYS 45 N -2.59 6.10 -0.01 0.81 4.01 -0.50 -4.63 118.16 121.35 1aq5 n LYS 45 Ca 0.04 -0.05 0.07 0.00 -0.51 0.00 0.00 58.31 57.86 1aq5 n LYS 45 Cb 0.40 -0.58 -0.11 0.00 -0.51 0.00 0.00 35.03 34.22 1aq5 n LYS 45 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1aq5 n ILE 46 N -0.93 0.00 0.45 -0.18 2.08 0.72 -5.12 119.36 116.38 1aq5 n ILE 46 Ca 0.00 -0.33 0.04 0.00 0.56 0.00 0.00 62.75 63.02 1aq5 n ILE 46 Cb 0.01 0.17 0.22 0.00 -0.75 0.00 0.00 39.64 39.29 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11