#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq5 s SER 2 N 0.00 1.25 1.21 1.61 1.04 -1.26 -5.14 113.70 112.40 1aq5 s SER 2 Ca 0.00 -0.62 -0.15 0.00 0.48 0.00 0.00 55.95 55.66 1aq5 s SER 2 Cb 0.00 0.00 0.30 0.00 0.10 0.00 0.00 66.02 66.42 1aq5 s SER 2 CO 0.00 -0.17 1.01 -1.00 0.98 0.00 0.00 173.24 174.06 1aq5 s HIS 3 N -1.55 1.03 -0.32 5.02 3.76 -1.26 -4.99 115.29 116.98 1aq5 s HIS 3 Ca -0.04 1.00 0.16 0.00 -0.15 0.00 0.00 55.06 56.03 1aq5 s HIS 3 Cb -0.09 -3.08 0.47 0.00 1.11 0.00 0.00 32.58 30.99 1aq5 s HIS 3 CO 0.01 -4.04 1.04 -1.33 -0.85 0.00 0.00 174.74 169.57 1aq5 n MET 4 N -5.01 1.89 0.00 1.40 0.00 -1.26 -4.85 117.12 109.29 1aq5 n MET 4 Ca 0.05 -3.61 0.00 0.00 0.00 0.00 0.00 57.70 54.14 1aq5 n MET 4 Cb 0.56 -1.60 0.00 0.00 0.00 0.00 0.00 33.22 32.18 1aq5 n MET 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1aq5 n GLU 5 N -0.33 0.00 -0.71 0.03 1.02 -1.26 -5.13 120.64 114.26 1aq5 n GLU 5 Ca 0.17 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.13 1aq5 n GLU 5 Cb 0.80 -0.03 0.15 0.00 -0.02 0.00 0.00 31.44 32.34 1aq5 n GLU 5 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1aq5 n GLU 6 N -1.73 -2.09 -2.90 3.49 1.02 -1.26 -4.68 120.64 112.49 1aq5 n GLU 6 Ca 0.00 -1.09 -0.01 0.00 -0.02 0.00 0.00 57.16 56.04 1aq5 n GLU 6 Cb 0.00 -0.97 -0.01 0.00 -0.02 0.00 0.00 31.44 30.44 1aq5 n GLU 6 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1aq5 n ASP 7 N -4.05 -6.12 0.05 1.62 2.03 -1.26 -4.95 116.55 103.87 1aq5 n ASP 7 Ca 0.09 1.03 -0.02 0.00 0.52 0.00 0.00 54.79 56.41 1aq5 n ASP 7 Cb 0.36 -3.59 -0.01 0.00 -0.72 0.00 0.00 41.12 37.15 1aq5 n ASP 7 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1aq5 h PRO 8 N 3.74 -0.15 -0.33 -0.67 0.13 -2.05 -3.41 132.00 129.26 1aq5 h PRO 8 Ca -0.11 0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.78 1aq5 h PRO 8 Cb 0.55 0.03 -0.28 0.00 0.13 0.00 0.00 31.00 31.43 1aq5 h PRO 8 CO 0.04 -0.10 -0.80 0.00 -0.23 0.00 0.00 178.00 176.90 1aq5 n GLU 10 N -0.62 -4.78 -0.48 0.00 4.71 -1.26 -4.75 120.64 113.45 1aq5 n GLU 10 Ca 0.23 0.54 0.43 0.00 -0.01 0.00 0.00 57.16 58.35 1aq5 n GLU 10 Cb 0.88 -5.38 0.75 0.00 -1.01 0.00 0.00 31.44 26.67 1aq5 n GLU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1aq5 n LYS 12 N -3.91 2.93 0.04 0.00 5.02 -1.26 -4.54 118.16 116.44 1aq5 n LYS 12 Ca 0.34 -0.16 -0.08 0.00 -2.02 0.00 0.00 58.31 56.39 1aq5 n LYS 12 Cb 1.64 -0.59 -0.13 0.00 -0.02 0.00 0.00 35.03 35.93 1aq5 n LYS 12 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1aq5 h SER 13 N 0.00 0.02 0.54 4.39 0.02 -1.15 -0.45 113.55 116.93 1aq5 h SER 13 Ca 0.00 -0.03 -0.29 0.00 -0.84 0.00 0.00 61.79 60.63 1aq5 h SER 13 Cb 0.04 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.58 1aq5 h SER 13 CO 0.00 1.03 -1.35 0.40 -1.14 0.00 0.00 176.83 175.77 1aq5 h ILE 14 N 0.00 1.39 0.00 3.27 2.04 -1.62 -2.52 117.51 120.06 1aq5 h ILE 14 Ca -0.10 -2.95 -0.02 0.00 1.00 0.00 0.00 64.86 62.79 1aq5 h ILE 14 Cb 1.85 2.92 -0.00 0.00 -0.74 0.00 0.00 36.82 40.84 1aq5 h ILE 14 CO 0.12 0.87 -0.28 0.58 0.00 0.00 0.00 178.15 179.43 1aq5 h VAL 15 N 0.08 0.11 -0.20 1.67 2.07 -1.76 -2.19 116.25 116.03 1aq5 h VAL 15 Ca -0.18 -1.16 -0.14 0.00 0.82 0.00 0.00 66.70 66.04 1aq5 h VAL 15 Cb 2.01 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.74 1aq5 h VAL 15 CO 0.20 0.06 -0.43 0.50 0.02 0.00 0.00 177.57 177.93 1aq5 h LYS 16 N 0.00 0.65 -0.03 1.57 3.11 -1.06 -2.65 116.57 118.16 1aq5 h LYS 16 Ca -0.00 -0.43 -0.11 0.00 -2.81 0.00 0.00 60.65 57.30 1aq5 h LYS 16 Cb 1.06 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.33 1aq5 h LYS 16 CO 0.01 1.04 -0.48 0.35 -2.81 0.00 0.00 179.45 177.56 1aq5 h PHE 17 N 0.34 0.07 -0.48 1.91 3.04 -1.42 -2.92 116.94 117.48 1aq5 h PHE 17 Ca 0.00 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.98 1aq5 h PHE 17 Cb 1.03 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.48 1aq5 h PHE 17 CO 0.09 0.54 0.23 1.96 -2.02 0.00 0.00 178.31 179.10 1aq5 h GLN 18 N 0.05 0.44 -0.36 1.11 4.20 -1.08 -0.00 115.11 119.46 1aq5 h GLN 18 Ca -0.00 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.72 1aq5 h GLN 18 Cb 0.88 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1aq5 h GLN 18 CO 0.07 0.29 0.24 1.15 -0.67 0.00 0.00 178.83 179.91 1aq5 h THR 19 N 0.45 1.01 -0.04 -0.54 2.02 -1.28 0.20 112.91 114.73 1aq5 h THR 19 Ca 0.22 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.18 1aq5 h THR 19 Cb 0.14 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1aq5 h THR 19 CO -0.17 0.07 -0.40 0.11 0.37 0.00 0.00 175.52 175.51 1aq5 h LYS 20 N 0.36 0.09 0.00 6.66 1.79 -1.01 -1.50 116.57 122.96 1aq5 h LYS 20 Ca 0.15 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1aq5 h LYS 20 Cb 0.15 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1aq5 h LYS 20 CO -0.03 0.48 -0.08 0.28 -1.08 0.00 0.00 179.45 179.01 1aq5 h VAL 21 N 0.08 0.14 -0.05 0.50 2.07 0.17 -2.18 116.25 116.98 1aq5 h VAL 21 Ca 0.01 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 1aq5 h VAL 21 Cb 0.74 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1aq5 h VAL 21 CO 0.06 0.08 -0.21 -0.33 0.02 0.00 0.00 177.57 177.18 1aq5 h GLU 22 N 0.00 0.23 0.02 1.57 5.08 0.09 -1.68 114.58 119.88 1aq5 h GLU 22 Ca -0.00 -0.18 -0.23 0.00 -1.00 0.00 0.00 59.36 57.95 1aq5 h GLU 22 Cb 1.03 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1aq5 h GLU 22 CO 0.01 0.82 -0.97 0.93 -1.00 0.00 0.00 179.01 178.81 1aq5 h GLU 23 N -0.32 0.36 -0.08 2.33 5.08 -1.50 -2.79 114.58 117.66 1aq5 h GLU 23 Ca -0.01 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1aq5 h GLU 23 Cb 0.86 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1aq5 h GLU 23 CO 0.04 1.09 0.01 1.25 -1.00 0.00 0.00 179.01 180.41 1aq5 h LEU 24 N 0.19 0.14 -0.93 1.33 5.85 -1.46 -1.71 115.31 118.72 1aq5 h LEU 24 Ca -0.08 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.39 1aq5 h LEU 24 Cb 1.61 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.55 1aq5 h LEU 24 CO 0.16 0.39 0.60 -0.29 -0.34 0.00 0.00 178.44 178.97 1aq5 h ILE 25 N -0.11 1.17 -0.67 4.05 2.10 -1.37 -1.39 117.51 121.29 1aq5 h ILE 25 Ca 0.02 -0.41 0.01 0.00 1.08 0.00 0.00 64.86 65.57 1aq5 h ILE 25 Cb 0.31 -0.12 -0.03 0.00 -1.09 0.00 0.00 36.82 35.89 1aq5 h ILE 25 CO 0.00 0.22 0.44 -1.13 -1.08 0.00 0.00 178.15 176.60 1aq5 h ASN 26 N 1.18 0.77 -0.13 2.19 -0.73 -1.29 -0.89 115.58 116.68 1aq5 h ASN 26 Ca 0.36 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.50 1aq5 h ASN 26 Cb -0.02 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.37 1aq5 h ASN 26 CO -0.11 0.56 0.06 0.74 -0.37 0.00 0.00 177.43 178.31 1aq5 h THR 27 N 0.91 1.08 -0.26 -3.57 2.02 -0.35 -0.59 112.91 112.14 1aq5 h THR 27 Ca 0.24 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 67.08 1aq5 h THR 27 Cb -0.10 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1aq5 h THR 27 CO -0.05 0.09 -0.25 -0.07 0.37 0.00 0.00 175.52 175.61 1aq5 h LEU 28 N 0.23 0.67 -0.45 2.58 3.38 -0.24 -1.78 115.31 119.72 1aq5 h LEU 28 Ca 0.06 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1aq5 h LEU 28 Cb 0.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1aq5 h LEU 28 CO -0.01 1.00 0.00 1.67 0.09 0.00 0.00 178.44 181.20 1aq5 n GLN 29 N -4.33 0.14 -0.07 1.13 7.27 -0.75 -1.76 117.38 119.02 1aq5 n GLN 29 Ca -0.04 0.35 -0.10 0.00 0.07 0.00 0.00 57.00 57.27 1aq5 n GLN 29 Cb 0.44 -1.76 -0.09 0.00 2.41 0.00 0.00 30.24 31.24 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 -0.51 -1.96 115.11 117.41 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 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1aq5 h GLN 30 CO 0.00 0.71 0.00 0.87 -0.95 0.00 0.00 178.83 179.46 1aq5 h LYS 31 N -1.00 0.00 0.04 1.46 1.57 -1.24 -1.93 116.57 115.47 1aq5 h LYS 31 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1aq5 h LYS 31 Cb 0.73 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.05 1aq5 h LYS 31 CO -0.01 0.00 -0.25 1.25 -0.57 0.00 0.00 179.45 179.88 1aq5 h LEU 32 N 0.00 0.15 -1.22 2.94 5.85 -1.37 -1.28 115.31 120.38 1aq5 h LEU 32 Ca 0.00 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.78 1aq5 h LEU 32 Cb 0.28 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1aq5 h LEU 32 CO 0.00 1.08 0.00 -0.08 -0.34 0.00 0.00 178.44 179.10 1aq5 h GLU 33 N -0.75 0.00 0.04 1.25 4.81 -1.01 -1.79 114.58 117.13 1aq5 h GLU 33 Ca -0.04 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.88 1aq5 h GLU 33 Cb 1.15 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 1aq5 h GLU 33 CO 0.05 0.00 -1.75 0.00 -0.73 0.00 0.00 179.01 176.58 1aq5 h ALA 34 N 2.13 0.64 -0.69 2.92 0.00 -1.37 -3.20 119.26 119.69 1aq5 h ALA 34 Ca 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 54.91 53.44 1aq5 h ALA 34 Cb 0.32 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1aq5 h ALA 34 CO 0.00 1.48 0.18 0.28 0.00 0.00 0.00 179.25 181.19 1aq5 h VAL 35 N 0.02 1.26 0.00 0.00 2.07 -0.42 -1.40 116.25 117.78 1aq5 h VAL 35 Ca -0.31 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 1aq5 h VAL 35 Cb 2.01 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1aq5 h VAL 35 CO 0.09 0.36 -0.29 0.00 0.02 0.00 0.00 177.57 177.74 1aq5 h ALA 36 N 1.17 1.19 0.00 1.67 0.00 -1.49 -0.92 119.26 120.88 1aq5 h ALA 36 Ca 0.22 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1aq5 h ALA 36 Cb 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1aq5 h ALA 36 CO -0.00 0.37 -0.41 0.87 0.00 0.00 0.00 179.25 180.07 1aq5 h LYS 37 N 0.00 0.00 0.08 0.00 1.57 -1.28 -2.49 116.57 114.45 1aq5 h LYS 37 Ca -0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1aq5 h LYS 37 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1aq5 h LYS 37 CO 0.04 0.41 -1.39 0.00 -0.57 0.00 0.00 179.45 177.94 1aq5 h ARG 38 N 0.00 0.18 -0.42 3.15 3.08 -0.69 -2.96 114.38 116.72 1aq5 h ARG 38 Ca -0.00 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 1aq5 h ARG 38 Cb 1.12 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1aq5 h ARG 38 CO 0.05 1.05 0.25 0.82 -1.07 0.00 0.00 179.97 181.07 1aq5 h ILE 39 N 0.05 1.14 -0.27 2.04 1.08 -1.08 -0.93 117.51 119.54 1aq5 h ILE 39 Ca -0.18 -0.33 -0.04 0.00 -0.39 0.00 0.00 64.86 63.92 1aq5 h ILE 39 Cb 1.96 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.30 1aq5 h ILE 39 CO 0.15 0.14 0.01 1.05 -0.69 0.00 0.00 178.15 178.82 1aq5 h GLU 40 N 0.55 0.41 -0.84 2.37 4.11 -1.52 -0.28 114.58 119.38 1aq5 h GLU 40 Ca 0.15 -0.07 0.04 0.00 0.07 0.00 0.00 59.36 59.55 1aq5 h GLU 40 Cb 0.01 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1aq5 h GLU 40 CO -0.03 0.42 0.55 0.00 0.07 0.00 0.00 179.01 180.03 1aq5 h ALA 41 N 1.63 1.50 0.00 1.06 0.00 -1.02 0.28 119.26 122.71 1aq5 h ALA 41 Ca 0.09 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1aq5 h ALA 41 Cb 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1aq5 h ALA 41 CO 0.00 0.41 -0.78 -0.07 0.00 0.00 0.00 179.25 178.81 1aq5 h LEU 42 N 1.02 0.00 -0.95 0.00 -0.00 -0.46 -2.87 115.31 112.04 1aq5 h LEU 42 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.22 1aq5 h LEU 42 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 1aq5 h LEU 42 CO -0.11 0.78 0.00 -0.33 -0.00 0.00 0.00 178.44 178.78 1aq5 h GLU 43 N 0.00 0.00 0.00 1.13 5.08 0.63 0.16 114.58 121.58 1aq5 h GLU 43 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1aq5 h GLU 43 Cb 1.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1aq5 h GLU 43 CO 0.10 0.00 -0.29 -0.91 -1.00 0.00 0.00 179.01 176.91 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 4.21 -0.99 0.37 115.58 120.59 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 0.36 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1aq5 h ASN 44 CO 0.00 0.29 -0.54 0.29 -1.29 0.00 0.00 177.43 176.18 1aq5 n LYS 45 N -3.36 3.71 -0.01 0.81 4.01 -0.68 -4.51 118.16 118.13 1aq5 n LYS 45 Ca 0.01 -0.01 0.10 0.00 -0.51 0.00 0.00 58.31 57.89 1aq5 n LYS 45 Cb 0.51 -0.92 -0.15 0.00 -0.51 0.00 0.00 35.03 33.96 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 -1.28 0.00 0.00 -0.18 2.08 0.49 -5.13 119.36 115.33 1aq5 n ILE 46 Ca 0.01 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 62.94 1aq5 n ILE 46 Cb 0.14 0.21 0.00 0.00 -0.75 0.00 0.00 39.64 39.24 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11