#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 0.46 -1.37 1.61 2.88 -1.26 -5.01 113.62 110.93 1aq5 n SER 2 Ca 0.00 -1.31 0.16 0.00 -1.33 0.00 0.00 58.87 56.40 1aq5 n SER 2 Cb 0.00 -0.08 -0.04 0.00 -0.75 0.00 0.00 64.21 63.34 1aq5 n SER 2 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1aq5 n HIS 3 N -1.22 -3.38 -1.35 0.66 -0.00 -1.26 -4.97 115.22 103.70 1aq5 n HIS 3 Ca 0.03 1.51 0.17 0.00 -0.00 0.00 0.00 57.72 59.43 1aq5 n HIS 3 Cb 0.12 -2.75 -0.06 0.00 -0.00 0.00 0.00 29.99 27.30 1aq5 n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1aq5 n MET 4 N -3.87 -2.79 0.00 -0.41 0.00 -1.26 -5.06 117.12 103.74 1aq5 n MET 4 Ca 0.01 2.01 0.00 0.00 0.00 0.00 0.00 57.70 59.72 1aq5 n MET 4 Cb 0.55 -3.39 0.00 0.00 0.00 0.00 0.00 33.22 30.39 1aq5 n MET 4 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1aq5 n GLU 5 N -4.03 0.00 -1.29 0.03 0.28 -1.26 -5.15 120.64 109.22 1aq5 n GLU 5 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1aq5 n GLU 5 Cb 0.66 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.53 1aq5 n GLU 5 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1aq5 n GLU 6 N 0.00 0.00 -2.65 3.44 -0.58 -1.26 -5.13 120.64 114.46 1aq5 n GLU 6 Ca 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 1aq5 n GLU 6 Cb 0.00 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 30.93 1aq5 n GLU 6 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1aq5 n ASP 7 N -1.68 -1.10 -0.02 1.62 -0.08 -1.26 -4.84 116.55 109.20 1aq5 n ASP 7 Ca 0.00 -1.16 -0.16 0.00 -1.51 0.00 0.00 54.79 51.95 1aq5 n ASP 7 Cb 0.00 0.56 -0.10 0.00 2.34 0.00 0.00 41.12 43.92 1aq5 n ASP 7 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1aq5 h PRO 8 N 3.48 0.40 -2.05 -0.67 0.13 -2.01 -3.35 132.00 127.93 1aq5 h PRO 8 Ca -0.15 -0.36 -0.63 0.00 -0.87 0.00 0.00 66.00 63.99 1aq5 h PRO 8 Cb 1.21 0.09 -0.39 0.00 0.13 0.00 0.00 31.00 32.03 1aq5 h PRO 8 CO -0.21 1.02 -0.34 0.00 -0.23 0.00 0.00 178.00 178.24 1aq5 n GLU 10 N -0.31 -2.02 -0.53 0.00 1.02 -1.26 -4.71 120.64 112.85 1aq5 n GLU 10 Ca 0.37 0.25 0.43 0.00 -0.02 0.00 0.00 57.16 58.19 1aq5 n GLU 10 Cb 0.44 -4.63 0.75 0.00 -0.02 0.00 0.00 31.44 27.98 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 -4.22 3.59 0.05 0.00 4.01 -1.26 -4.49 118.16 115.83 1aq5 n LYS 12 Ca 0.37 -0.16 -0.08 0.00 -0.51 0.00 0.00 58.31 57.93 1aq5 n LYS 12 Cb 1.62 -0.63 -0.12 0.00 -0.51 0.00 0.00 35.03 35.39 1aq5 n LYS 12 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1aq5 h SER 13 N 0.00 0.01 0.16 4.39 0.02 -1.24 -0.65 113.55 116.24 1aq5 h SER 13 Ca 0.00 -0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.71 1aq5 h SER 13 Cb 0.02 -0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.58 1aq5 h SER 13 CO 0.00 1.01 -1.02 0.40 -1.14 0.00 0.00 176.83 176.09 1aq5 h ILE 14 N 0.00 1.40 0.00 3.27 2.04 -1.60 -2.71 117.51 119.91 1aq5 h ILE 14 Ca -0.06 -2.55 -0.01 0.00 1.00 0.00 0.00 64.86 63.24 1aq5 h ILE 14 Cb 1.82 3.11 -0.00 0.00 -0.74 0.00 0.00 36.82 41.01 1aq5 h ILE 14 CO 0.12 0.73 -0.03 0.58 0.00 0.00 0.00 178.15 179.55 1aq5 h VAL 15 N -0.27 0.07 -0.13 1.67 2.07 -1.76 -2.09 116.25 115.80 1aq5 h VAL 15 Ca -0.19 -0.86 -0.09 0.00 0.82 0.00 0.00 66.70 66.38 1aq5 h VAL 15 Cb 1.75 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1aq5 h VAL 15 CO 0.16 0.03 -0.26 0.50 0.02 0.00 0.00 177.57 178.03 1aq5 h LYS 16 N 0.00 0.41 0.00 1.57 1.63 -1.14 -2.53 116.57 116.51 1aq5 h LYS 16 Ca -0.00 -0.26 -0.04 0.00 -0.85 0.00 0.00 60.65 59.50 1aq5 h LYS 16 Cb 0.81 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.47 1aq5 h LYS 16 CO 0.00 0.86 -0.19 0.35 -3.45 0.00 0.00 179.45 177.02 1aq5 h PHE 17 N 0.00 0.00 -0.39 1.91 3.57 -1.31 -2.51 116.94 118.20 1aq5 h PHE 17 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1aq5 h PHE 17 Cb 0.85 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 1aq5 h PHE 17 CO 0.10 0.19 0.19 1.96 -2.23 0.00 0.00 178.31 178.52 1aq5 h GLN 18 N 0.00 0.57 -0.88 1.11 4.20 -0.97 -1.79 115.11 117.34 1aq5 h GLN 18 Ca -0.00 -0.08 0.08 0.00 0.06 0.00 0.00 58.65 58.71 1aq5 h GLN 18 Cb 0.38 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 1aq5 h GLN 18 CO 0.03 0.50 0.57 1.15 -0.67 0.00 0.00 178.83 180.40 1aq5 h THR 19 N 0.50 1.01 -0.27 -0.54 2.02 -1.08 0.39 112.91 114.93 1aq5 h THR 19 Ca 0.14 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1aq5 h THR 19 Cb 0.12 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 1aq5 h THR 19 CO -0.02 0.17 -0.02 0.11 0.37 0.00 0.00 175.52 176.13 1aq5 h LYS 20 N 0.93 0.41 0.00 6.66 1.79 -1.30 0.06 116.57 125.11 1aq5 h LYS 20 Ca 0.39 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.78 1aq5 h LYS 20 Cb 0.32 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1aq5 h LYS 20 CO -0.16 0.46 -0.04 0.28 -1.08 0.00 0.00 179.45 178.90 1aq5 h VAL 21 N 0.40 0.08 -0.06 0.50 2.07 0.42 -1.98 116.25 117.68 1aq5 h VAL 21 Ca 0.09 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 1aq5 h VAL 21 Cb 0.30 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1aq5 h VAL 21 CO 0.01 0.04 -0.28 -0.33 0.02 0.00 0.00 177.57 177.03 1aq5 h GLU 22 N 0.00 0.29 -0.00 1.57 5.08 0.13 -1.42 114.58 120.22 1aq5 h GLU 22 Ca -0.00 -0.23 -0.17 0.00 -1.00 0.00 0.00 59.36 57.96 1aq5 h GLU 22 Cb 0.88 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1aq5 h GLU 22 CO 0.01 0.88 -0.80 1.05 -1.00 0.00 0.00 179.01 179.14 1aq5 h GLU 23 N -0.24 0.03 -0.27 2.33 4.11 -1.43 -2.80 114.58 116.31 1aq5 h GLU 23 Ca -0.02 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 59.24 1aq5 h GLU 23 Cb 0.94 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1aq5 h GLU 23 CO 0.06 0.82 -0.35 1.25 0.07 0.00 0.00 179.01 180.85 1aq5 h LEU 24 N 0.02 0.78 -0.71 3.06 5.85 -1.39 -2.17 115.31 120.75 1aq5 h LEU 24 Ca -0.01 -0.50 -0.07 0.00 0.84 0.00 0.00 57.88 58.14 1aq5 h LEU 24 Cb 1.42 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1aq5 h LEU 24 CO 0.11 1.13 0.18 0.40 -0.34 0.00 0.00 178.44 179.91 1aq5 h ILE 25 N 0.46 1.26 -0.91 4.05 5.03 -1.27 -1.69 117.51 124.44 1aq5 h ILE 25 Ca 0.03 -0.96 -0.02 0.00 -0.12 0.00 0.00 64.86 63.79 1aq5 h ILE 25 Cb 0.94 0.54 -0.04 0.00 -3.03 0.00 0.00 36.82 35.22 1aq5 h ILE 25 CO 0.08 0.37 0.50 -1.13 -0.68 0.00 0.00 178.15 177.29 1aq5 h ASN 26 N 1.06 1.13 -0.02 1.72 -1.24 -1.42 -1.42 115.58 115.39 1aq5 h ASN 26 Ca 0.22 -0.10 -0.06 0.00 0.71 0.00 0.00 56.30 57.07 1aq5 h ASN 26 Cb 0.36 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1aq5 h ASN 26 CO 0.00 0.90 -0.14 0.74 -1.29 0.00 0.00 177.43 177.64 1aq5 h THR 27 N 1.27 1.21 -0.24 -3.57 2.02 -0.90 -0.77 112.91 111.92 1aq5 h THR 27 Ca 0.32 -0.92 -0.13 0.00 0.77 0.00 0.00 66.41 66.45 1aq5 h THR 27 Cb 0.02 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1aq5 h THR 27 CO -0.05 0.29 -0.35 -0.07 0.37 0.00 0.00 175.52 175.71 1aq5 h LEU 28 N 0.31 0.72 -0.75 2.58 3.38 -0.39 -1.61 115.31 119.56 1aq5 h LEU 28 Ca 0.06 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1aq5 h LEU 28 Cb 0.44 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1aq5 h LEU 28 CO 0.03 1.10 0.00 -0.61 0.09 0.00 0.00 178.44 179.04 1aq5 h GLN 29 N 0.37 0.00 0.00 1.13 -0.00 -1.00 -1.72 115.11 113.89 1aq5 h GLN 29 Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1aq5 h GLN 29 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.42 1aq5 h GLN 29 CO 0.08 0.00 -0.00 1.96 0.00 0.00 0.00 178.83 180.87 1aq5 h GLN 30 N 0.00 -0.00 0.00 1.69 1.08 -0.64 -1.90 115.11 115.34 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 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1aq5 h GLN 30 CO 0.00 0.58 0.00 0.87 -0.95 0.00 0.00 178.83 179.33 1aq5 h LYS 31 N -1.00 0.00 0.00 1.46 1.57 -1.20 -1.49 116.57 115.91 1aq5 h LYS 31 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1aq5 h LYS 31 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1aq5 h LYS 31 CO 0.00 0.00 -0.00 1.25 -0.57 0.00 0.00 179.45 180.13 1aq5 h LEU 32 N 0.00 -0.01 -0.95 2.94 5.85 -1.33 -0.60 115.31 121.22 1aq5 h LEU 32 Ca 0.00 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.86 1aq5 h LEU 32 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1aq5 h LEU 32 CO 0.00 0.90 0.00 1.21 -0.34 0.00 0.00 178.44 180.21 1aq5 n GLU 33 N -4.65 0.16 -0.01 1.25 2.13 -0.72 -1.40 120.64 117.40 1aq5 n GLU 33 Ca -0.09 0.51 -0.16 0.00 0.66 0.00 0.00 57.16 58.08 1aq5 n GLU 33 Cb 0.42 -1.88 -0.14 0.00 0.27 0.00 0.00 31.44 30.11 1aq5 n GLU 33 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1aq5 n ALA 34 N -1.76 1.14 -0.35 4.31 0.00 -0.60 -3.45 120.51 119.81 1aq5 n ALA 34 Ca 0.01 -0.68 -0.02 0.00 0.00 0.00 0.00 53.44 52.75 1aq5 n ALA 34 Cb 0.14 -0.73 0.13 0.00 0.00 0.00 0.00 19.45 18.99 1aq5 n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1aq5 h VAL 35 N 0.04 1.25 0.00 0.00 2.07 0.13 0.12 116.25 119.86 1aq5 h VAL 35 Ca -0.38 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1aq5 h VAL 35 Cb 2.03 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1aq5 h VAL 35 CO 0.08 0.25 -0.20 0.00 0.02 0.00 0.00 177.57 177.72 1aq5 h ALA 36 N 1.38 1.25 -0.05 1.67 0.00 -1.48 -1.28 119.26 120.75 1aq5 h ALA 36 Ca 0.35 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1aq5 h ALA 36 Cb -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1aq5 h ALA 36 CO -0.07 0.25 -0.78 -0.22 0.00 0.00 0.00 179.25 178.43 1aq5 h LYS 37 N 0.00 0.35 -0.13 0.00 1.63 -0.84 -2.61 116.57 114.97 1aq5 h LYS 37 Ca -0.00 -0.31 -0.22 0.00 -0.85 0.00 0.00 60.65 59.27 1aq5 h LYS 37 Cb 0.50 0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1aq5 h LYS 37 CO 0.03 0.97 -0.78 0.00 -3.45 0.00 0.00 179.45 176.21 1aq5 h ARG 38 N 0.23 0.71 -0.65 1.90 2.47 -0.66 -2.50 114.38 115.87 1aq5 h ARG 38 Ca -0.04 -0.59 0.07 0.00 -1.26 0.00 0.00 59.98 58.16 1aq5 h ARG 38 Cb 1.37 0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 29.75 1aq5 h ARG 38 CO 0.13 1.20 0.33 0.82 0.56 0.00 0.00 179.97 183.02 1aq5 h ILE 39 N 0.48 0.90 -0.51 2.04 1.08 -1.21 0.26 117.51 120.56 1aq5 h ILE 39 Ca -0.05 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 1aq5 h ILE 39 Cb 1.40 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 1aq5 h ILE 39 CO 0.16 0.11 0.24 -0.33 -0.69 0.00 0.00 178.15 177.64 1aq5 h GLU 40 N 0.60 0.71 -0.78 2.37 4.39 -1.35 0.39 114.58 120.90 1aq5 h GLU 40 Ca 0.31 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.99 1aq5 h GLU 40 Cb 0.26 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 1aq5 h GLU 40 CO -0.22 0.55 0.51 0.00 -1.16 0.00 0.00 179.01 178.70 1aq5 h ALA 41 N 1.56 1.66 0.00 3.43 0.00 -0.06 0.19 119.26 126.04 1aq5 h ALA 41 Ca 0.18 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1aq5 h ALA 41 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1aq5 h ALA 41 CO -0.02 0.21 -0.59 -0.07 0.00 0.00 0.00 179.25 178.78 1aq5 h LEU 42 N 0.83 0.00 -1.01 0.00 -0.00 -0.23 -3.00 115.31 111.89 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 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1aq5 h LEU 42 CO -0.12 0.59 0.00 -0.33 -0.00 0.00 0.00 178.44 178.57 1aq5 h GLU 43 N 0.00 0.00 0.00 1.13 5.08 0.13 0.25 114.58 121.17 1aq5 h GLU 43 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1aq5 h GLU 43 Cb 1.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 1aq5 h GLU 43 CO 0.08 0.00 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.11 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 -0.26 -1.03 -0.54 115.58 115.17 1aq5 h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1aq5 h ASN 44 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 1aq5 h ASN 44 CO 0.00 0.07 -0.26 0.29 -1.06 0.00 0.00 177.43 176.47 1aq5 n LYS 45 N -3.17 5.31 -0.03 0.81 4.01 -0.80 -4.61 118.16 119.68 1aq5 n LYS 45 Ca 0.01 -0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.87 1aq5 n LYS 45 Cb 0.38 -0.68 -0.16 0.00 -0.51 0.00 0.00 35.03 34.06 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 -1.13 0.31 -0.75 -0.18 2.08 0.81 -5.13 119.36 115.37 1aq5 n ILE 46 Ca 0.00 -0.57 0.00 0.00 0.56 0.00 0.00 62.75 62.74 1aq5 n ILE 46 Cb 0.04 -0.10 0.00 0.00 -0.75 0.00 0.00 39.64 38.83 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11