#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 0.22 0.00 1.61 0.15 -1.26 -5.17 113.70 109.25 1aq5 s SER 2 Ca 0.00 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.87 1aq5 s SER 2 Cb 0.00 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1aq5 s SER 2 CO 0.00 -0.71 0.00 1.57 1.20 0.00 0.00 173.24 175.30 1aq5 n HIS 3 N -0.03 -0.24 -2.33 3.44 -0.00 -1.26 -5.00 115.22 109.80 1aq5 n HIS 3 Ca -0.14 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.69 1aq5 n HIS 3 Cb 0.62 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.46 1aq5 n HIS 3 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 1aq5 s MET 4 N 1.00 3.19 -0.11 1.57 1.00 -1.26 -4.92 119.30 119.76 1aq5 s MET 4 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 55.69 54.61 1aq5 s MET 4 Cb 0.00 -5.30 0.01 0.00 0.00 0.00 0.00 34.83 29.54 1aq5 s MET 4 CO 0.00 -2.89 -0.18 -1.21 0.00 0.00 0.00 175.02 170.74 1aq5 s GLU 5 N 5.65 2.51 0.86 2.03 8.01 -1.26 -5.11 118.70 131.39 1aq5 s GLU 5 Ca 0.59 -0.67 -0.16 0.00 0.01 0.00 0.00 54.97 54.73 1aq5 s GLU 5 Cb -0.01 -2.05 -0.08 0.00 -4.31 0.00 0.00 34.13 27.68 1aq5 s GLU 5 CO 0.01 -0.00 -0.14 0.39 0.01 0.00 0.00 175.26 175.53 1aq5 n GLU 6 N 4.02 -0.01 0.00 1.61 1.02 -1.26 -4.96 120.64 121.06 1aq5 n GLU 6 Ca -0.20 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1aq5 n GLU 6 Cb 0.52 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 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 1.39 0.00 0.04 1.62 2.03 -1.26 -5.03 116.55 115.34 1aq5 n ASP 7 Ca 0.04 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.25 1aq5 n ASP 7 Cb 0.53 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.00 -0.18 -1.13 -0.67 0.13 -2.04 -3.39 132.00 124.71 1aq5 h PRO 8 Ca 0.00 0.01 -0.46 0.00 -0.87 0.00 0.00 66.00 64.68 1aq5 h PRO 8 Cb 0.00 0.04 -0.41 0.00 0.13 0.00 0.00 31.00 30.76 1aq5 h PRO 8 CO 0.00 0.26 -0.97 0.00 -0.23 0.00 0.00 178.00 177.06 1aq5 n GLU 10 N -0.34 -0.73 -0.29 0.00 1.02 -1.26 -4.68 120.64 114.36 1aq5 n GLU 10 Ca 0.24 0.13 0.34 0.00 -0.02 0.00 0.00 57.16 57.85 1aq5 n GLU 10 Cb 0.77 -4.48 0.66 0.00 -0.02 0.00 0.00 31.44 28.37 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 -3.72 5.10 0.07 0.00 4.01 -1.26 -4.52 118.16 117.83 1aq5 n LYS 12 Ca 0.25 -0.07 -0.03 0.00 -0.51 0.00 0.00 58.31 57.95 1aq5 n LYS 12 Cb 1.39 -0.52 -0.07 0.00 -0.51 0.00 0.00 35.03 35.31 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 0.00 0.49 4.39 0.02 -1.18 -1.02 113.55 116.26 1aq5 h SER 13 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1aq5 h SER 13 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1aq5 h SER 13 CO 0.00 0.78 -1.47 0.40 -1.14 0.00 0.00 176.83 175.40 1aq5 h ILE 14 N 0.00 1.22 0.00 3.27 2.04 -1.60 -2.69 117.51 119.74 1aq5 h ILE 14 Ca -0.07 -2.85 -0.02 0.00 1.00 0.00 0.00 64.86 62.91 1aq5 h ILE 14 Cb 1.66 2.79 -0.00 0.00 -0.74 0.00 0.00 36.82 40.53 1aq5 h ILE 14 CO 0.09 0.83 -0.46 0.58 0.00 0.00 0.00 178.15 179.18 1aq5 h VAL 15 N 0.07 0.14 -0.14 1.67 2.07 -1.77 -2.35 116.25 115.94 1aq5 h VAL 15 Ca -0.22 -1.21 -0.12 0.00 0.82 0.00 0.00 66.70 65.97 1aq5 h VAL 15 Cb 2.00 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1aq5 h VAL 15 CO 0.17 0.08 -0.36 0.50 0.02 0.00 0.00 177.57 177.97 1aq5 h LYS 16 N 0.00 0.49 -0.08 1.57 3.11 -1.23 -2.69 116.57 117.74 1aq5 h LYS 16 Ca -0.01 -0.34 -0.08 0.00 -2.81 0.00 0.00 60.65 57.41 1aq5 h LYS 16 Cb 1.08 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.36 1aq5 h LYS 16 CO 0.01 0.96 -0.30 0.35 -2.81 0.00 0.00 179.45 177.66 1aq5 h PHE 17 N 0.11 0.17 -0.28 1.91 3.04 -1.48 -2.82 116.94 117.58 1aq5 h PHE 17 Ca -0.01 -0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.95 1aq5 h PHE 17 Cb 0.97 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.41 1aq5 h PHE 17 CO 0.10 0.44 0.07 1.96 -2.02 0.00 0.00 178.31 178.86 1aq5 h GLN 18 N 0.14 0.17 -0.43 1.11 4.20 -1.13 -0.76 115.11 118.40 1aq5 h GLN 18 Ca 0.02 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.77 1aq5 h GLN 18 Cb 0.60 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1aq5 h GLN 18 CO 0.04 0.12 0.29 1.15 -0.67 0.00 0.00 178.83 179.76 1aq5 h THR 19 N 0.18 0.98 -0.08 -0.54 2.02 -1.22 0.21 112.91 114.46 1aq5 h THR 19 Ca 0.13 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1aq5 h THR 19 Cb 0.12 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1aq5 h THR 19 CO -0.16 0.07 -0.31 0.11 0.37 0.00 0.00 175.52 175.60 1aq5 h LYS 20 N 0.38 0.15 0.00 6.66 1.57 -1.11 -1.20 116.57 123.02 1aq5 h LYS 20 Ca 0.19 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1aq5 h LYS 20 Cb 0.26 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1aq5 h LYS 20 CO -0.04 0.45 0.00 0.28 -0.57 0.00 0.00 179.45 179.56 1aq5 h VAL 21 N 0.13 0.00 -0.06 0.50 2.07 0.08 -2.60 116.25 116.36 1aq5 h VAL 21 Ca 0.02 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 1aq5 h VAL 21 Cb 0.62 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1aq5 h VAL 21 CO 0.05 0.00 -0.18 -0.33 0.02 0.00 0.00 177.57 177.12 1aq5 h GLU 22 N 0.00 0.24 -0.12 1.57 5.08 0.19 -1.45 114.58 120.08 1aq5 h GLU 22 Ca 0.00 -0.17 -0.17 0.00 -1.00 0.00 0.00 59.36 58.02 1aq5 h GLU 22 Cb 0.96 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1aq5 h GLU 22 CO 0.00 0.79 -0.63 0.93 -1.00 0.00 0.00 179.01 179.10 1aq5 h GLU 23 N -0.28 0.44 -0.22 2.33 4.39 -1.52 -2.63 114.58 117.10 1aq5 h GLU 23 Ca -0.01 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.35 1aq5 h GLU 23 Cb 0.80 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1aq5 h GLU 23 CO 0.04 0.93 0.03 1.25 -1.16 0.00 0.00 179.01 180.10 1aq5 h LEU 24 N 0.32 0.36 -1.26 1.33 5.85 -1.49 -1.67 115.31 118.76 1aq5 h LEU 24 Ca -0.01 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1aq5 h LEU 24 Cb 1.18 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1aq5 h LEU 24 CO 0.11 0.54 0.30 0.40 -0.34 0.00 0.00 178.44 179.45 1aq5 h ILE 25 N 0.17 1.19 -0.64 4.05 5.03 -1.26 -1.07 117.51 124.97 1aq5 h ILE 25 Ca 0.07 -0.50 -0.08 0.00 -0.12 0.00 0.00 64.86 64.23 1aq5 h ILE 25 Cb 0.34 0.43 -0.02 0.00 -3.03 0.00 0.00 36.82 34.53 1aq5 h ILE 25 CO 0.01 0.21 0.10 -1.13 -0.68 0.00 0.00 178.15 176.66 1aq5 h ASN 26 N 0.81 1.02 0.15 1.72 -1.24 -1.17 -1.57 115.58 115.30 1aq5 h ASN 26 Ca 0.20 -0.26 -0.08 0.00 0.71 0.00 0.00 56.30 56.88 1aq5 h ASN 26 Cb 0.06 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 1aq5 h ASN 26 CO -0.03 1.02 -0.27 0.74 -1.29 0.00 0.00 177.43 177.60 1aq5 h THR 27 N 0.98 1.24 -0.24 -3.57 2.02 -0.50 -1.11 112.91 111.73 1aq5 h THR 27 Ca 0.19 -1.14 -0.11 0.00 0.77 0.00 0.00 66.41 66.12 1aq5 h THR 27 Cb 0.44 1.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1aq5 h THR 27 CO 0.01 0.34 -0.27 -0.07 0.37 0.00 0.00 175.52 175.91 1aq5 h LEU 28 N 0.18 0.65 -1.07 2.58 3.38 -0.70 -1.67 115.31 118.66 1aq5 h LEU 28 Ca 0.03 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1aq5 h LEU 28 Cb 0.59 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1aq5 h LEU 28 CO 0.04 1.00 0.00 -0.61 0.09 0.00 0.00 178.44 178.97 1aq5 h GLN 29 N 0.30 0.00 0.03 1.13 4.15 -1.05 -1.58 115.11 118.09 1aq5 h GLN 29 Ca 0.03 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1aq5 h GLN 29 Cb 0.84 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1aq5 h GLN 29 CO 0.07 0.00 -0.02 1.96 -1.93 0.00 0.00 178.83 178.91 1aq5 h GLN 30 N 0.00 -0.04 0.00 1.69 1.08 -0.65 -1.74 115.11 115.44 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 0.39 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1aq5 h GLN 30 CO 0.00 0.60 0.00 0.87 -0.95 0.00 0.00 178.83 179.35 1aq5 h LYS 31 N -0.94 0.00 0.00 1.46 1.57 -1.17 -1.33 116.57 116.17 1aq5 h LYS 31 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1aq5 h LYS 31 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1aq5 h LYS 31 CO 0.01 0.00 -0.03 1.25 -0.57 0.00 0.00 179.45 180.11 1aq5 h LEU 32 N 0.00 0.02 -0.68 2.94 5.85 -1.27 0.03 115.31 122.19 1aq5 h LEU 32 Ca 0.00 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.85 1aq5 h LEU 32 Cb 0.25 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.27 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 0.15 -0.02 1.25 2.13 -0.66 -1.85 120.64 117.01 1aq5 n GLU 33 Ca -0.10 0.43 -0.15 0.00 0.66 0.00 0.00 57.16 58.01 1aq5 n GLU 33 Cb 0.44 -1.82 -0.14 0.00 0.27 0.00 0.00 31.44 30.19 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 -1.73 1.21 -0.29 4.31 0.00 -0.53 -3.40 120.51 120.08 1aq5 n ALA 34 Ca 0.02 -0.72 -0.06 0.00 0.00 0.00 0.00 53.44 52.68 1aq5 n ALA 34 Cb 0.19 -0.72 0.07 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 0.03 1.26 0.00 0.00 2.07 -0.22 -0.84 116.25 118.55 1aq5 h VAL 35 Ca -0.37 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 1aq5 h VAL 35 Cb 2.03 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1aq5 h VAL 35 CO 0.08 0.33 -0.27 0.00 0.02 0.00 0.00 177.57 177.73 1aq5 h ALA 36 N 1.18 1.46 -0.00 1.67 0.00 -1.49 -1.23 119.26 120.85 1aq5 h ALA 36 Ca 0.27 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1aq5 h ALA 36 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1aq5 h ALA 36 CO -0.02 0.33 -0.71 0.87 0.00 0.00 0.00 179.25 179.72 1aq5 h LYS 37 N 0.00 0.01 -0.05 0.00 1.57 -1.22 -2.71 116.57 114.17 1aq5 h LYS 37 Ca -0.00 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 1aq5 h LYS 37 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1aq5 h LYS 37 CO 0.03 0.71 -0.89 0.00 -0.57 0.00 0.00 179.45 178.73 1aq5 h ARG 38 N 0.01 0.60 -0.55 3.15 2.47 -0.38 -2.18 114.38 117.49 1aq5 h ARG 38 Ca -0.01 -0.58 0.03 0.00 -1.26 0.00 0.00 59.98 58.17 1aq5 h ARG 38 Cb 1.25 0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 29.68 1aq5 h ARG 38 CO 0.09 1.19 0.32 0.82 0.56 0.00 0.00 179.97 182.96 1aq5 h ILE 39 N 0.37 1.03 -0.48 2.04 1.08 -1.17 0.54 117.51 120.93 1aq5 h ILE 39 Ca -0.08 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 1aq5 h ILE 39 Cb 1.52 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 1aq5 h ILE 39 CO 0.17 0.11 0.17 -0.33 -0.69 0.00 0.00 178.15 177.58 1aq5 h GLU 40 N 0.63 0.69 -0.75 2.37 5.08 -1.42 -0.09 114.58 121.09 1aq5 h GLU 40 Ca 0.23 -0.11 0.13 0.00 -1.00 0.00 0.00 59.36 58.62 1aq5 h GLU 40 Cb 0.06 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1aq5 h GLU 40 CO -0.12 0.59 0.50 0.00 -1.00 0.00 0.00 179.01 178.98 1aq5 h ALA 41 N 1.50 2.02 0.01 3.43 0.00 -0.24 0.29 119.26 126.27 1aq5 h ALA 41 Ca 0.16 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.85 1aq5 h ALA 41 Cb 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1aq5 h ALA 41 CO -0.01 -0.21 -1.12 -0.07 0.00 0.00 0.00 179.25 177.84 1aq5 h LEU 42 N 0.49 0.03 -0.66 0.00 -0.00 -0.48 -3.15 115.31 111.54 1aq5 h LEU 42 Ca 0.37 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 58.21 1aq5 h LEU 42 Cb 0.73 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1aq5 h LEU 42 CO -0.13 1.03 0.00 -0.33 -0.00 0.00 0.00 178.44 179.01 1aq5 h GLU 43 N 0.01 0.00 0.00 1.13 5.08 0.96 0.21 114.58 121.96 1aq5 h GLU 43 Ca -0.06 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1aq5 h GLU 43 Cb 1.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 1aq5 h GLU 43 CO 0.13 0.00 -0.36 -0.91 -1.00 0.00 0.00 179.01 176.87 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 -0.26 -0.72 -0.80 115.58 115.22 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 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1aq5 h ASN 44 CO 0.00 0.36 -0.60 0.29 -1.06 0.00 0.00 177.43 176.42 1aq5 n LYS 45 N -3.37 3.44 0.01 0.81 4.01 -0.91 -4.48 118.16 117.67 1aq5 n LYS 45 Ca 0.01 -0.02 0.11 0.00 -0.51 0.00 0.00 58.31 57.90 1aq5 n LYS 45 Cb 0.56 -0.95 -0.11 0.00 -0.51 0.00 0.00 35.03 34.01 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 -1.32 0.09 1.88 -0.18 2.08 0.68 -5.13 119.36 117.46 1aq5 n ILE 46 Ca 0.01 -0.38 0.16 0.00 0.56 0.00 0.00 62.75 63.10 1aq5 n ILE 46 Cb 0.15 0.17 0.85 0.00 -0.75 0.00 0.00 39.64 40.06 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11