#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qle s ASP 8 N 0.00 4.57 0.68 1.09 1.11 -1.26 -4.95 116.67 117.92 1qle s ASP 8 Ca 0.00 0.28 -0.02 0.00 0.18 0.00 0.00 52.55 53.00 1qle s ASP 8 Cb 0.00 -2.53 0.04 0.00 1.07 0.00 0.00 42.92 41.50 1qle s ASP 8 CO 0.00 -3.05 0.25 0.00 1.18 0.00 0.00 175.17 173.55 1qle n HIS 9 N 15.74 -3.58 -3.32 4.23 1.44 -1.26 -5.05 115.22 123.42 1qle n HIS 9 Ca 0.37 -0.33 -0.41 0.00 -2.01 0.00 0.00 57.72 55.34 1qle n HIS 9 Cb 0.49 -0.19 -0.09 0.00 0.12 0.00 0.00 29.99 30.33 1qle n HIS 9 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1qle s LYS 10 N -3.25 3.58 -0.68 -1.40 1.02 -1.26 -5.00 119.74 112.74 1qle s LYS 10 Ca 0.15 -0.30 -0.31 0.00 0.02 0.00 0.00 55.97 55.54 1qle s LYS 10 Cb -0.01 -3.81 -0.15 0.00 -0.52 0.00 0.00 37.83 33.35 1qle s LYS 10 CO 0.10 -0.59 2.48 1.58 -0.92 0.00 0.00 175.35 178.00 1qle n HIS 11 N 5.57 1.09 0.00 3.18 -0.00 -1.26 -1.21 115.22 122.58 1qle n HIS 11 Ca -0.07 0.29 0.00 0.00 -0.00 0.00 0.00 57.72 57.94 1qle n HIS 11 Cb 0.49 -2.50 0.00 0.00 -0.00 0.00 0.00 29.99 27.98 1qle n HIS 11 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qle n GLY 12 N 6.38 1.31 0.04 1.57 0.00 -1.26 -5.01 105.19 108.21 1qle n GLY 12 Ca 0.51 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.54 1qle n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qle n GLU 13 N -1.10 1.78 -1.76 1.61 1.02 -0.35 -5.07 120.64 116.76 1qle n GLU 13 Ca 0.00 -1.30 -0.38 0.00 -0.02 0.00 0.00 57.16 55.46 1qle n GLU 13 Cb 0.00 -0.88 0.05 0.00 -0.02 0.00 0.00 31.44 30.59 1qle n GLU 13 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1qle s MET 14 N -0.86 2.95 0.35 3.49 1.75 -1.26 -4.91 119.30 120.81 1qle s MET 14 Ca 0.04 2.20 -0.28 0.00 -1.25 0.00 0.00 55.69 56.39 1qle s MET 14 Cb 0.03 -2.13 -0.11 0.00 2.84 0.00 0.00 34.83 35.45 1qle s MET 14 CO 0.00 -1.33 1.47 -3.47 -0.65 0.00 0.00 175.02 171.05 1qle n ASP 15 N -1.29 3.59 0.00 1.11 -0.08 -1.26 -4.91 116.55 113.71 1qle n ASP 15 Ca 0.12 1.21 0.00 0.00 -1.51 0.00 0.00 54.79 54.61 1qle n ASP 15 Cb 0.46 -1.59 0.00 0.00 2.34 0.00 0.00 41.12 42.33 1qle n ASP 15 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1qle n ILE 16 N 0.75 0.00 -0.38 5.18 5.41 -1.26 -4.88 119.36 124.18 1qle n ILE 16 Ca 0.03 -0.13 0.30 0.00 1.00 0.00 0.00 62.75 63.95 1qle n ILE 16 Cb 0.38 1.60 0.56 0.00 -0.71 0.00 0.00 39.64 41.47 1qle n ILE 16 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1qle h ARG 17 N 0.00 0.21 -0.02 0.38 3.08 -1.99 0.03 114.38 116.08 1qle h ARG 17 Ca 0.00 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1qle h ARG 17 Cb 0.30 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1qle h ARG 17 CO 0.00 0.14 -0.25 1.25 -1.07 0.00 0.00 179.97 180.04 1qle h HIS 18 N 0.22 0.29 0.00 3.04 2.76 -2.00 -2.86 115.15 116.59 1qle h HIS 18 Ca 0.75 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.77 1qle h HIS 18 Cb 2.05 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 30.98 1qle h HIS 18 CO -0.01 0.91 -0.01 1.96 -1.30 0.00 0.00 177.93 179.48 1qle h GLN 19 N -0.42 0.00 -0.00 5.26 7.50 -1.43 -1.40 115.11 124.62 1qle h GLN 19 Ca -0.03 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.12 1qle h GLN 19 Cb 0.96 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.49 1qle h GLN 19 CO 0.05 0.01 -0.00 1.96 -1.50 0.00 0.00 178.83 179.35 1qle h GLN 20 N 0.00 0.00 -0.39 1.46 1.08 -1.04 -2.82 115.11 113.40 1qle h GLN 20 Ca -0.00 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1qle h GLN 20 Cb 0.03 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 1qle h GLN 20 CO 0.00 0.33 0.24 0.00 -0.95 0.00 0.00 178.83 178.45 1qle h ALA 21 N 0.67 0.50 -0.37 3.87 0.00 -1.19 -2.91 119.26 119.82 1qle h ALA 21 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1qle h ALA 21 Cb 0.33 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1qle h ALA 21 CO 0.00 -0.02 -0.09 1.15 0.00 0.00 0.00 179.25 180.29 1qle h THR 22 N 0.52 0.63 -0.71 0.00 2.02 -1.26 0.11 112.91 114.21 1qle h THR 22 Ca 0.14 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.38 1qle h THR 22 Cb -0.02 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1qle h THR 22 CO -0.03 0.00 0.47 0.15 0.37 0.00 0.00 175.52 176.48 1qle h PHE 23 N 0.00 0.75 -0.06 3.16 3.57 -1.31 0.29 116.94 123.35 1qle h PHE 23 Ca 0.18 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1qle h PHE 23 Cb 0.27 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1qle h PHE 23 CO -0.34 0.40 0.01 0.00 -2.23 0.00 0.00 178.31 176.16 1qle h ALA 24 N 1.61 0.08 -0.04 2.41 0.00 -0.95 -1.21 119.26 121.15 1qle h ALA 24 Ca 0.30 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1qle h ALA 24 Cb 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1qle h ALA 24 CO -0.10 -0.30 -0.13 0.78 0.00 0.00 0.00 179.25 179.50 1qle h GLY 25 N -0.12 -0.12 0.51 0.00 0.00 0.78 -0.19 103.07 103.92 1qle h GLY 25 Ca 0.02 0.15 0.15 0.00 0.00 0.00 0.00 47.33 47.65 1qle h GLY 25 CO 0.00 -0.13 0.57 -2.75 0.00 0.00 0.00 176.54 174.23 1qle h PHE 26 N -0.20 0.80 -0.06 5.60 3.57 -0.43 0.89 116.94 127.12 1qle h PHE 26 Ca 0.06 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1qle h PHE 26 Cb 0.28 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1qle h PHE 26 CO -0.21 0.29 -0.21 0.82 -2.23 0.00 0.00 178.31 176.77 1qle h ILE 27 N 0.67 1.44 0.00 1.41 5.03 -0.08 -2.08 117.51 123.91 1qle h ILE 27 Ca 0.45 -1.63 -0.18 0.00 -0.12 0.00 0.00 64.86 63.38 1qle h ILE 27 Cb 0.75 2.35 -0.03 0.00 -3.03 0.00 0.00 36.82 36.86 1qle h ILE 27 CO -0.21 0.46 -0.88 0.07 -0.68 0.00 0.00 178.15 176.91 1qle h LYS 28 N -0.28 0.00 -0.43 2.37 2.10 -0.46 -0.90 116.57 118.98 1qle h LYS 28 Ca -0.01 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.56 1qle h LYS 28 Cb 0.85 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.16 1qle h LYS 28 CO 0.04 0.88 -0.06 0.78 -2.00 0.00 0.00 179.45 179.10 1qle h GLY 29 N 3.00 0.79 1.62 0.07 0.00 0.70 -2.40 103.07 106.84 1qle h GLY 29 Ca -0.01 -0.55 -0.18 0.00 0.00 0.00 0.00 47.33 46.59 1qle h GLY 29 CO 0.11 0.50 -0.72 0.00 0.00 0.00 0.00 176.54 176.44 1qle h ALA 30 N 1.27 0.62 -0.39 3.60 0.00 -1.27 -2.86 119.26 120.23 1qle h ALA 30 Ca 0.13 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1qle h ALA 30 Cb 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1qle h ALA 30 CO 0.03 0.77 0.17 1.15 0.00 0.00 0.00 179.25 181.36 1qle h THR 31 N 0.26 1.19 0.14 0.00 2.02 -0.85 -2.60 112.91 113.07 1qle h THR 31 Ca -0.03 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1qle h THR 31 Cb 1.29 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1qle h THR 31 CO 0.12 0.21 -0.07 -0.50 0.37 0.00 0.00 175.52 175.65 1qle h TRP 32 N 0.49 -0.18 -0.34 3.16 6.55 -1.45 0.75 115.95 124.94 1qle h TRP 32 Ca 0.13 -0.00 0.10 0.00 0.95 0.00 0.00 58.89 60.07 1qle h TRP 32 Cb 0.16 0.06 -0.01 0.00 -0.86 0.00 0.00 29.16 28.51 1qle h TRP 32 CO -0.00 0.09 0.26 -0.24 -1.05 0.00 0.00 178.44 177.50 1qle h VAL 33 N -0.44 0.71 -0.04 1.49 3.04 -1.54 0.04 116.25 119.51 1qle h VAL 33 Ca -0.02 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.54 1qle h VAL 33 Cb 0.35 0.81 0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1qle h VAL 33 CO 0.03 0.00 -0.47 -1.28 -1.01 0.00 0.00 177.57 174.85 1qle h SER 34 N 0.00 0.48 0.05 3.17 0.87 -1.03 -2.24 113.55 114.84 1qle h SER 34 Ca 0.16 -0.71 -0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1qle h SER 34 Cb 0.69 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1qle h SER 34 CO -0.00 1.12 -0.03 0.40 -0.53 0.00 0.00 176.83 177.78 1qle h ILE 35 N -0.12 0.00 -0.99 2.23 1.08 0.82 -0.85 117.51 119.68 1qle h ILE 35 Ca -0.05 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.63 1qle h ILE 35 Cb 1.15 0.00 -0.19 0.00 -3.07 0.00 0.00 36.82 34.72 1qle h ILE 35 CO 0.09 0.00 -0.21 -0.11 -0.69 0.00 0.00 178.15 177.23 1qle n LEU 36 N -2.35 -0.32 -0.15 1.44 -0.00 -0.17 0.86 117.00 116.31 1qle n LEU 36 Ca -0.01 1.70 -0.03 0.00 -0.00 0.00 0.00 56.01 57.67 1qle n LEU 36 Cb 0.03 -0.53 0.06 0.00 -0.00 0.00 0.00 43.42 42.98 1qle n LEU 36 CO 0.02 -1.64 0.92 -1.28 -0.00 0.00 0.00 177.39 175.41 1qle h SER 37 N 0.00 0.04 0.19 1.96 0.87 -1.21 0.20 113.55 115.59 1qle h SER 37 Ca 0.49 0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 61.03 1qle h SER 37 Cb 0.79 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1qle h SER 37 CO -1.01 0.05 -0.37 0.40 -0.53 0.00 0.00 176.83 175.37 1qle h ILE 38 N 0.25 1.29 -0.31 2.23 1.08 0.19 -2.89 117.51 119.36 1qle h ILE 38 Ca 0.23 -1.43 0.05 0.00 -0.39 0.00 0.00 64.86 63.32 1qle h ILE 38 Cb 0.29 1.61 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 1qle h ILE 38 CO -0.29 0.43 0.04 0.00 -0.69 0.00 0.00 178.15 177.64 1qle h ALA 39 N 1.40 0.31 0.68 1.87 0.00 0.15 -2.98 119.26 120.68 1qle h ALA 39 Ca 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1qle h ALA 39 Cb 0.76 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1qle h ALA 39 CO 0.06 -0.37 -0.43 0.28 0.00 0.00 0.00 179.25 178.79 1qle h VAL 40 N 0.14 0.14 -0.77 0.00 2.07 -1.11 -0.99 116.25 115.74 1qle h VAL 40 Ca 0.14 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.84 1qle h VAL 40 Cb 0.17 0.14 -0.14 0.00 -1.52 0.00 0.00 31.29 29.94 1qle h VAL 40 CO -0.21 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 177.29 1qle h LEU 41 N -1.05 -0.41 0.03 2.57 4.07 -1.45 0.22 115.31 119.30 1qle h LEU 41 Ca -0.09 0.20 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 1qle h LEU 41 Cb 0.85 0.37 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1qle h LEU 41 CO 0.08 -0.20 -0.02 0.58 -1.08 0.00 0.00 178.44 177.81 1qle h VAL 42 N 0.08 1.38 -0.45 1.22 2.07 -1.36 0.35 116.25 119.54 1qle h VAL 42 Ca 0.42 -1.42 0.09 0.00 0.82 0.00 0.00 66.70 66.61 1qle h VAL 42 Cb 0.73 2.30 -0.09 0.00 -1.52 0.00 0.00 31.29 32.71 1qle h VAL 42 CO -0.70 0.35 -0.21 0.15 0.02 0.00 0.00 177.57 177.19 1qle h PHE 43 N -0.68 -0.52 -0.14 1.57 3.04 -0.68 0.28 116.94 119.81 1qle h PHE 43 Ca -0.00 0.05 0.02 0.00 3.98 0.00 0.00 57.97 62.02 1qle h PHE 43 Cb 0.61 0.30 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 1qle h PHE 43 CO 0.14 -0.29 0.00 1.25 -2.02 0.00 0.00 178.31 177.39 1qle h LEU 44 N -0.11 -0.04 -0.04 0.59 5.85 -0.60 0.13 115.31 121.09 1qle h LEU 44 Ca 0.21 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.98 1qle h LEU 44 Cb 0.44 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1qle h LEU 44 CO -0.52 -0.00 -0.34 0.00 -0.34 0.00 0.00 178.44 177.24 1qle h ALA 45 N 1.12 -0.75 0.42 1.25 0.00 0.19 -1.38 119.26 120.11 1qle h ALA 45 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1qle h ALA 45 Cb 0.08 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1qle h ALA 45 CO -0.11 -0.86 -0.31 -0.07 0.00 0.00 0.00 179.25 177.90 1qle h LEU 46 N -0.40 -0.80 0.00 0.00 3.38 -0.48 -2.81 115.31 114.21 1qle h LEU 46 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1qle h LEU 46 Cb 0.44 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1qle h LEU 46 CO -0.24 -0.44 0.00 0.00 0.09 0.00 0.00 178.44 177.84 1qle n ALA 47 N -2.53 1.33 -2.69 1.53 0.00 0.45 -3.70 120.51 114.89 1qle n ALA 47 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1qle n ALA 47 Cb 0.30 -0.88 0.06 0.00 0.00 0.00 0.00 19.45 18.92 1qle n ALA 47 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1qle n ASN 48 N -0.63 -1.87 0.00 0.00 5.15 -0.52 -4.99 115.26 112.41 1qle n ASN 48 Ca 0.00 -2.07 0.00 0.00 -0.60 0.00 0.00 54.58 51.91 1qle n ASN 48 Cb 0.00 1.06 0.00 0.00 -0.53 0.00 0.00 39.78 40.31 1qle n ASN 48 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42