#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex s GLU 5 N 0.00 0.19 0.01 5.56 2.12 -1.26 -2.65 118.70 122.67 2qex s GLU 5 Ca 0.00 -0.06 -0.30 0.00 0.36 0.00 0.00 54.97 54.97 2qex s GLU 5 Cb 0.00 -0.21 -0.07 0.00 0.26 0.00 0.00 34.13 34.10 2qex s GLU 5 CO 0.00 0.02 1.74 0.00 -0.54 0.00 0.00 175.26 176.48 2qex n ASP 7 N 6.76 0.02 0.00 0.00 8.00 -0.77 -1.71 116.55 128.85 2qex n ASP 7 Ca 0.17 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 55.07 2qex n ASP 7 Cb 0.42 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 2qex n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qex n TYR 8 N -0.43 0.00 0.09 1.24 9.36 -1.26 -4.91 117.16 121.25 2qex n TYR 8 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 2qex n TYR 8 Cb 0.01 0.07 0.08 0.00 -0.63 0.00 0.00 39.34 38.86 2qex n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qex n GLY 10 N 0.50 2.04 3.56 0.00 0.00 -0.70 -1.08 105.19 109.51 2qex n GLY 10 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 2qex n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qex s THR 11 N -2.53 1.98 0.08 2.61 -4.23 -1.26 -4.36 115.64 107.94 2qex s THR 11 Ca 0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.22 2qex s THR 11 Cb 0.00 -2.25 -0.05 0.00 1.34 0.00 0.00 72.50 71.53 2qex s THR 11 CO 0.00 0.00 0.94 -1.81 -0.54 0.00 0.00 174.62 173.21 2qex s ASP 12 N -2.95 7.44 -0.36 3.99 1.01 -1.26 -1.31 116.67 123.23 2qex s ASP 12 Ca 0.67 1.73 -0.26 0.00 0.71 0.00 0.00 52.55 55.41 2qex s ASP 12 Cb -0.22 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.15 2qex s ASP 12 CO 0.62 -0.09 0.92 -0.63 0.21 0.00 0.00 175.17 176.20 2qex s ILE 13 N 0.18 4.59 0.12 0.77 1.01 -1.08 -4.88 121.20 121.90 2qex s ILE 13 Ca 0.47 1.21 -0.35 0.00 0.00 0.00 0.00 60.65 61.98 2qex s ILE 13 Cb -0.23 -4.33 -0.14 0.00 0.01 0.00 0.00 42.46 37.77 2qex s ILE 13 CO 0.29 -0.52 1.55 1.21 0.00 0.00 0.00 174.94 177.47 2qex n GLU 14 N 6.75 1.91 -1.81 2.79 4.07 -1.26 -4.59 120.64 128.49 2qex n GLU 14 Ca 0.07 0.69 -0.41 0.00 -0.06 0.00 0.00 57.16 57.45 2qex n GLU 14 Cb 0.48 -2.43 -0.00 0.00 -0.06 0.00 0.00 31.44 29.43 2qex n GLU 14 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2qex s PRO 15 N 1.09 4.10 -0.24 5.31 0.04 -1.26 -2.71 135.00 141.33 2qex s PRO 15 Ca 0.81 2.57 -0.01 0.00 0.04 0.00 0.00 61.00 64.41 2qex s PRO 15 Cb -0.75 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 30.83 2qex s PRO 15 CO 0.41 -0.54 0.16 0.41 0.04 0.00 0.00 177.00 177.49 2qex n GLY 16 N 0.46 0.63 3.53 0.56 0.00 -1.26 -5.04 105.19 104.06 2qex n GLY 16 Ca 0.01 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 2qex n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qex s THR 17 N -2.90 0.02 0.00 2.61 2.01 -1.10 -5.17 115.64 111.11 2qex s THR 17 Ca 0.08 -1.15 0.00 0.00 0.31 0.00 0.00 61.69 60.93 2qex s THR 17 Cb -0.04 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.59 2qex s THR 17 CO 0.10 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 2qex n GLY 18 N -0.34 -1.30 3.28 4.40 0.00 -1.26 -4.91 105.19 105.06 2qex n GLY 18 Ca -0.06 -1.59 -0.19 0.00 0.00 0.00 0.00 46.02 44.18 2qex n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qex s THR 19 N -1.57 1.52 -0.30 2.61 2.01 -1.06 -5.01 115.64 113.85 2qex s THR 19 Ca 0.00 -1.84 0.01 0.00 0.31 0.00 0.00 61.69 60.18 2qex s THR 19 Cb 0.00 -1.69 0.09 0.00 0.01 0.00 0.00 72.50 70.91 2qex s THR 19 CO 0.00 -0.41 0.04 -0.32 -0.69 0.00 0.00 174.62 173.24 2qex s MET 20 N -2.83 1.26 0.07 4.92 1.75 -1.26 -0.73 119.30 122.48 2qex s MET 20 Ca 0.13 -1.36 -0.27 0.00 -1.25 0.00 0.00 55.69 52.94 2qex s MET 20 Cb -0.05 -2.62 -0.06 0.00 2.84 0.00 0.00 34.83 34.94 2qex s MET 20 CO 0.04 -0.86 0.84 0.12 -0.65 0.00 0.00 175.02 174.51 2qex s PHE 21 N 1.28 3.77 -0.22 4.11 5.36 -0.50 -4.90 117.98 126.88 2qex s PHE 21 Ca 0.06 1.60 -0.06 0.00 -0.96 0.00 0.00 56.93 57.57 2qex s PHE 21 Cb -0.18 -2.90 -0.02 0.00 -0.34 0.00 0.00 43.02 39.57 2qex s PHE 21 CO -0.13 0.26 0.02 0.08 -1.46 0.00 0.00 175.22 173.98 2qex s VAL 22 N -0.08 3.99 0.70 3.12 1.01 -1.26 -1.40 120.40 126.48 2qex s VAL 22 Ca 0.41 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 2qex s VAL 22 Cb -0.22 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2qex s VAL 22 CO 0.26 0.40 1.07 -1.00 0.00 0.00 0.00 175.10 175.83 2qex s HIS 23 N 1.27 3.25 0.27 5.22 0.09 0.45 -4.92 115.29 120.92 2qex s HIS 23 Ca 0.04 1.20 -0.00 0.00 -0.00 0.00 0.00 55.06 56.29 2qex s HIS 23 Cb -0.15 -2.96 0.55 0.00 -0.00 0.00 0.00 32.58 30.02 2qex s HIS 23 CO 0.01 -1.20 1.77 -0.22 -0.00 0.00 0.00 174.74 175.10 2qex h LYS 24 N -0.68 0.67 0.00 1.40 3.64 -1.99 0.13 116.57 119.73 2qex h LYS 24 Ca -0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2qex h LYS 24 Cb 1.23 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2qex h LYS 24 CO 0.61 0.44 0.00 -0.40 -2.27 0.00 0.00 179.45 177.83 2qex n ASP 25 N -4.82 0.24 0.00 4.20 3.85 -1.26 -4.87 116.55 113.88 2qex n ASP 25 Ca 0.18 0.54 0.00 0.00 -0.71 0.00 0.00 54.79 54.80 2qex n ASP 25 Cb 0.43 -0.60 0.00 0.00 -1.35 0.00 0.00 41.12 39.61 2qex n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qex n GLY 26 N 0.73 0.68 3.72 6.12 0.00 0.45 -5.09 105.19 111.80 2qex n GLY 26 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2qex n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qex s ALA 27 N -2.00 1.83 -0.05 4.61 0.00 -1.25 -4.70 121.76 120.20 2qex s ALA 27 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.28 2qex s ALA 27 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 2qex s ALA 27 CO 0.00 -2.21 -0.10 0.99 0.00 0.00 0.00 175.76 174.44 2qex s THR 28 N -2.82 0.96 -0.21 0.00 2.01 -1.26 -0.41 115.64 113.90 2qex s THR 28 Ca 0.63 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 62.24 2qex s THR 28 Cb -0.19 -0.88 0.06 0.00 0.01 0.00 0.00 72.50 71.50 2qex s THR 28 CO 0.57 0.31 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.89 2qex s THR 29 N 0.59 1.21 -0.19 -0.82 2.01 -0.49 -5.01 115.64 112.94 2qex s THR 29 Ca -0.11 -0.96 -0.23 0.00 0.31 0.00 0.00 61.69 60.70 2qex s THR 29 Cb -0.14 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 2qex s THR 29 CO 0.02 -0.10 0.72 -1.00 -0.69 0.00 0.00 174.62 173.57 2qex s HIS 30 N 1.55 3.39 0.06 4.92 3.76 -1.26 -1.41 115.29 126.29 2qex s HIS 30 Ca -0.04 1.06 0.03 0.00 -0.15 0.00 0.00 55.06 55.97 2qex s HIS 30 Cb -0.18 -2.89 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 2qex s HIS 30 CO -0.07 -0.21 0.00 -0.06 -0.85 0.00 0.00 174.74 173.56 2qex s PHE 31 N 2.04 3.03 -0.09 1.40 0.40 0.09 -1.85 117.98 123.00 2qex s PHE 31 Ca 0.33 0.02 0.02 0.00 -0.60 0.00 0.00 56.93 56.69 2qex s PHE 31 Cb -0.16 -1.59 -0.25 0.00 0.51 0.00 0.00 43.02 41.53 2qex s PHE 31 CO 0.11 0.47 0.48 0.00 0.70 0.00 0.00 175.22 176.99 2qex s SER 33 N -6.62 0.01 0.29 0.00 1.04 -1.26 -4.30 113.70 102.86 2qex s SER 33 Ca -0.15 -0.98 -0.01 0.00 0.48 0.00 0.00 55.95 55.29 2qex s SER 33 Cb 0.07 0.48 0.44 0.00 0.10 0.00 0.00 66.02 67.11 2qex s SER 33 CO 0.79 -0.98 1.86 0.77 0.98 0.00 0.00 173.24 176.66 2qex h SER 34 N 2.45 0.77 -0.43 7.02 4.64 -1.99 -2.76 113.55 123.24 2qex h SER 34 Ca -0.30 -0.12 0.08 0.00 -0.47 0.00 0.00 61.79 60.98 2qex h SER 34 Cb 1.24 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 63.06 2qex h SER 34 CO 0.44 0.72 0.01 0.50 -0.87 0.00 0.00 176.83 177.63 2qex h LYS 35 N 0.82 0.11 -0.53 4.77 3.64 -1.99 0.21 116.57 123.60 2qex h LYS 35 Ca 0.19 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 2qex h LYS 35 Cb 0.22 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2qex h LYS 35 CO -0.01 0.08 0.07 0.00 -2.27 0.00 0.00 179.45 177.31 2qex h GLU 37 N 0.78 0.28 -0.35 0.00 5.08 -1.01 -2.05 114.58 117.30 2qex h GLU 37 Ca 0.16 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 2qex h GLU 37 Cb 0.43 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2qex h GLU 37 CO 0.01 0.19 -0.20 -0.91 -1.00 0.00 0.00 179.01 177.10 2qex h ASN 38 N 0.29 0.67 -0.50 1.42 2.35 -0.48 -2.01 115.58 117.31 2qex h ASN 38 Ca 0.12 -0.22 -0.12 0.00 -0.55 0.00 0.00 56.30 55.53 2qex h ASN 38 Cb 0.05 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2qex h ASN 38 CO -0.09 0.87 -0.14 0.78 -1.65 0.00 0.00 177.43 177.19 2qex h ASN 39 N 0.59 1.00 -0.70 5.81 4.21 -1.08 -2.83 115.58 122.59 2qex h ASN 39 Ca 0.09 -0.37 -0.05 0.00 1.21 0.00 0.00 56.30 57.18 2qex h ASN 39 Cb 0.66 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 37.56 2qex h ASN 39 CO 0.05 1.14 0.24 0.00 -1.29 0.00 0.00 177.43 177.56 2qex h ALA 40 N 0.90 1.07 0.00 -0.83 0.00 -1.25 -2.35 119.26 116.79 2qex h ALA 40 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qex h ALA 40 Cb 0.71 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2qex h ALA 40 CO 0.05 0.64 0.00 -0.44 0.00 0.00 0.00 179.25 179.50 2qex h ASP 41 N 1.05 0.00 0.23 0.00 3.32 -1.15 0.07 116.42 119.94 2qex h ASP 41 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2qex h ASP 41 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2qex h ASP 41 CO -0.01 0.00 -0.08 0.18 -1.72 0.00 0.00 179.24 177.61 2qex n LEU 42 N -3.03 0.60 0.00 1.55 4.77 -0.91 -4.90 117.00 115.09 2qex n LEU 42 Ca -0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2qex n LEU 42 Cb 0.19 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2qex n LEU 42 CO 0.23 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2qex n GLY 43 N 1.21 0.75 3.81 -0.72 0.00 0.01 -5.06 105.19 105.20 2qex n GLY 43 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2qex n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qex s ARG 44 N -0.43 3.23 -0.15 1.61 0.52 -1.09 -5.03 118.95 117.61 2qex s ARG 44 Ca 0.00 1.07 0.02 0.00 -0.52 0.00 0.00 55.73 56.30 2qex s ARG 44 Cb 0.00 -2.03 0.01 0.00 0.52 0.00 0.00 34.95 33.46 2qex s ARG 44 CO 0.00 -0.87 -0.21 -1.21 0.02 0.00 0.00 175.30 173.03 2qex s GLU 45 N -4.48 2.93 0.47 3.54 2.02 -1.26 -4.48 118.70 117.43 2qex s GLU 45 Ca 0.61 -0.82 0.40 0.00 0.02 0.00 0.00 54.97 55.18 2qex s GLU 45 Cb -0.15 -2.43 1.50 0.00 0.10 0.00 0.00 34.13 33.16 2qex s GLU 45 CO 0.44 -0.09 1.43 0.00 0.02 0.00 0.00 175.26 177.06 2qex n ALA 46 N 4.27 1.54 0.26 5.21 0.00 -1.26 -0.02 120.51 130.51 2qex n ALA 46 Ca -0.20 0.68 0.14 0.00 0.00 0.00 0.00 53.44 54.06 2qex n ALA 46 Cb 0.51 -1.02 0.63 0.00 0.00 0.00 0.00 19.45 19.57 2qex n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qex h ARG 47 N 0.00 0.00 -0.00 0.00 3.08 -1.92 -3.00 114.38 112.54 2qex h ARG 47 Ca 0.84 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.89 2qex h ARG 47 Cb 3.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 33.17 2qex h ARG 47 CO -0.18 0.10 -0.39 0.09 -1.07 0.00 0.00 179.97 178.52 2qex n ASN 48 N -3.28 0.84 -4.50 7.04 3.02 0.97 -4.61 115.26 114.74 2qex n ASN 48 Ca -0.00 -0.65 -0.37 0.00 -0.03 0.00 0.00 54.58 53.53 2qex n ASN 48 Cb 0.34 0.22 -0.12 0.00 -0.61 0.00 0.00 39.78 39.61 2qex n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qex s LEU 49 N -2.72 3.69 0.49 3.41 1.43 -1.13 -5.00 118.68 118.84 2qex s LEU 49 Ca 0.18 -0.13 0.16 0.00 -1.03 0.00 0.00 54.13 53.31 2qex s LEU 49 Cb 0.18 -2.00 1.19 0.00 0.03 0.00 0.00 46.19 45.59 2qex s LEU 49 CO 0.61 -0.04 2.08 -0.33 0.23 0.00 0.00 176.35 178.90 2qex h GLU 50 N 8.29 0.14 0.00 1.70 5.08 -1.87 -2.16 114.58 125.76 2qex h GLU 50 Ca -0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2qex h GLU 50 Cb 1.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2qex h GLU 50 CO 0.57 0.09 0.00 -2.67 -1.00 0.00 0.00 179.01 176.00 2qex n TRP 51 N -4.49 0.66 -2.42 4.33 4.27 -1.26 -4.54 117.44 113.99 2qex n TRP 51 Ca 0.02 0.22 -0.41 0.00 -3.89 0.00 0.00 57.50 53.43 2qex n TRP 51 Cb 0.22 -0.85 -0.03 0.00 -1.36 0.00 0.00 31.31 29.28 2qex n TRP 51 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 2qex s THR 52 N -3.14 3.78 0.22 -1.67 2.01 -0.81 -4.93 115.64 111.09 2qex s THR 52 Ca 0.09 1.43 -0.10 0.00 0.31 0.00 0.00 61.69 63.42 2qex s THR 52 Cb 0.12 -3.91 0.17 0.00 0.01 0.00 0.00 72.50 68.89 2qex s THR 52 CO 0.49 0.20 1.89 0.44 -0.69 0.00 0.00 174.62 176.94 2qex h ASP 53 N 5.69 0.90 -0.13 3.53 5.19 -1.67 0.59 116.42 130.52 2qex h ASP 53 Ca -0.44 -0.02 0.04 0.00 -0.62 0.00 0.00 57.03 55.99 2qex h ASP 53 Cb 1.21 -0.22 -0.07 0.00 0.18 0.00 0.00 39.33 40.43 2qex h ASP 53 CO 0.76 0.65 -0.42 0.74 -3.12 0.00 0.00 179.24 177.85 2qex h THR 54 N 1.07 0.14 -0.13 0.35 2.02 -1.39 -1.78 112.91 113.18 2qex h THR 54 Ca 0.29 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.51 2qex h THR 54 Cb -0.12 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.40 2qex h THR 54 CO -0.07 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.75 2qex h ALA 55 N 0.10 0.04 0.00 6.16 0.00 -1.53 -3.48 119.26 120.56 2qex h ALA 55 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qex h ALA 55 Cb 0.63 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2qex h ALA 55 CO -0.40 -0.52 0.00 0.54 0.00 0.00 0.00 179.25 178.87