#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhk n ASN 7 N 0.00 0.00 -4.81 1.61 3.02 -0.66 -4.71 115.26 109.71 1qhk n ASN 7 Ca 0.00 -0.95 -0.34 0.00 -0.03 0.00 0.00 54.58 53.26 1qhk n ASN 7 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1qhk n ASN 7 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1qhk s PHE 8 N -7.66 3.37 -0.20 3.10 0.40 -0.10 0.10 117.98 116.99 1qhk s PHE 8 Ca 0.00 0.28 -0.03 0.00 -0.60 0.00 0.00 56.93 56.58 1qhk s PHE 8 Cb 0.00 -1.79 0.06 0.00 0.51 0.00 0.00 43.02 41.80 1qhk s PHE 8 CO 0.00 0.59 0.06 -0.47 0.70 0.00 0.00 175.22 176.10 1qhk s TYR 9 N -1.17 0.82 -1.13 0.36 6.14 -0.51 -0.43 117.35 121.43 1qhk s TYR 9 Ca 0.22 -0.76 -0.21 0.00 0.64 0.00 0.00 57.07 56.95 1qhk s TYR 9 Cb -0.12 -0.97 0.04 0.00 0.42 0.00 0.00 41.96 41.33 1qhk s TYR 9 CO 0.12 -0.61 1.63 0.00 0.64 0.00 0.00 175.55 177.34 1qhk s ALA 10 N 1.93 2.81 0.12 3.97 0.00 -0.34 -0.30 121.76 129.94 1qhk s ALA 10 Ca 0.01 -2.46 0.03 0.00 0.00 0.00 0.00 51.96 49.54 1qhk s ALA 10 Cb -0.17 -4.59 -0.04 0.00 0.00 0.00 0.00 23.12 18.32 1qhk s ALA 10 CO -0.10 -3.69 0.13 0.08 0.00 0.00 0.00 175.76 172.18 1qhk s VAL 11 N 5.47 4.69 0.00 0.00 1.01 0.15 0.04 120.40 131.75 1qhk s VAL 11 Ca 0.52 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1qhk s VAL 11 Cb 0.01 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1qhk s VAL 11 CO -0.01 0.02 0.28 0.54 0.00 0.00 0.00 175.10 175.94 1qhk n ARG 12 N 0.05 0.09 -3.01 2.72 1.74 -1.25 -0.29 116.66 116.71 1qhk n ARG 12 Ca -0.08 -0.31 -0.44 0.00 -0.77 0.00 0.00 57.85 56.25 1qhk n ARG 12 Cb 0.53 -0.55 -0.04 0.00 -1.02 0.00 0.00 32.46 31.38 1qhk n ARG 12 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1qhk s LYS 13 N -0.05 3.18 0.00 5.56 2.20 -1.26 -4.86 119.74 124.52 1qhk s LYS 13 Ca 0.00 -1.28 0.00 0.00 -0.36 0.00 0.00 55.97 54.33 1qhk s LYS 13 Cb 0.00 -4.37 0.00 0.00 -1.51 0.00 0.00 37.83 31.95 1qhk s LYS 13 CO 0.00 -1.66 0.00 0.41 -0.36 0.00 0.00 175.35 173.74 1qhk n GLY 14 N 5.27 4.27 3.78 5.54 0.00 -1.26 -4.94 105.19 117.85 1qhk n GLY 14 Ca -0.01 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 1qhk n GLY 14 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qhk s ARG 15 N -2.89 3.29 -0.70 1.61 3.52 -1.26 -2.61 118.95 119.91 1qhk s ARG 15 Ca 0.00 1.51 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 1qhk s ARG 15 Cb 0.00 -2.01 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 1qhk s ARG 15 CO 0.00 -0.88 0.00 -1.91 -0.81 0.00 0.00 175.30 171.70 1qhk n GLU 16 N -1.53 -1.83 0.00 5.12 2.13 -1.26 -4.89 120.64 118.38 1qhk n GLU 16 Ca 0.11 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1qhk n GLU 16 Cb 0.51 -4.73 0.00 0.00 0.27 0.00 0.00 31.44 27.49 1qhk n GLU 16 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1qhk n THR 17 N -2.23 0.00 0.00 6.31 5.66 -1.07 -4.97 114.28 117.97 1qhk n THR 17 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1qhk n THR 17 Cb 0.40 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 1qhk n THR 17 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1qhk n GLY 18 N 0.00 0.74 3.76 1.09 0.00 0.61 -4.98 105.19 106.40 1qhk n GLY 18 Ca 0.00 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 1qhk n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qhk s ILE 19 N -3.10 5.24 0.35 -0.61 1.01 -1.25 0.29 121.20 123.13 1qhk s ILE 19 Ca 0.00 0.65 0.05 0.00 0.00 0.00 0.00 60.65 61.34 1qhk s ILE 19 Cb 0.00 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.86 1qhk s ILE 19 CO 0.00 0.44 0.38 -1.22 0.00 0.00 0.00 174.94 174.54 1qhk n TYR 20 N 3.07 -1.78 -2.73 3.97 4.01 0.58 -4.80 117.16 119.49 1qhk n TYR 20 Ca -0.12 -1.36 -0.08 0.00 -0.16 0.00 0.00 57.90 56.18 1qhk n TYR 20 Cb 0.52 -0.31 0.07 0.00 -0.31 0.00 0.00 39.34 39.32 1qhk n TYR 20 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1qhk n ASN 21 N -2.26 -2.39 -3.79 7.72 4.05 -1.19 -1.42 115.26 115.97 1qhk n ASN 21 Ca 0.05 -3.13 -0.07 0.00 0.45 0.00 0.00 54.58 51.87 1qhk n ASN 21 Cb 0.38 1.68 -0.02 0.00 1.23 0.00 0.00 39.78 43.04 1qhk n ASN 21 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1qhk s THR 22 N 0.44 0.00 -0.11 -0.44 2.01 0.28 -4.73 115.64 113.09 1qhk s THR 22 Ca 0.27 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 61.17 1qhk s THR 22 Cb 0.25 -1.88 -0.27 0.00 0.01 0.00 0.00 72.50 70.62 1qhk s THR 22 CO -0.16 0.00 0.83 -0.25 -0.69 0.00 0.00 174.62 174.35 1qhk h TRP 23 N 2.00 0.12 0.51 4.92 -0.00 -1.84 -1.70 115.95 119.96 1qhk h TRP 23 Ca -0.21 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.89 58.57 1qhk h TRP 23 Cb 1.25 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.41 1qhk h TRP 23 CO 0.40 1.03 -0.24 -0.97 -0.00 0.00 0.00 178.44 178.66 1qhk h ASN 24 N -0.83 -0.58 -1.38 2.65 -1.24 -1.96 -2.47 115.58 109.77 1qhk h ASN 24 Ca -0.03 -0.02 0.41 0.00 0.71 0.00 0.00 56.30 57.37 1qhk h ASN 24 Cb 1.10 0.15 -0.09 0.00 0.73 0.00 0.00 38.32 40.21 1qhk h ASN 24 CO 0.03 -0.17 0.94 -0.33 -1.29 0.00 0.00 177.43 176.62 1qhk h GLU 25 N -1.13 0.09 0.00 6.67 5.08 -1.95 2.27 114.58 125.61 1qhk h GLU 25 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1qhk h GLU 25 Cb 0.57 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1qhk h GLU 25 CO 0.11 0.06 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 1qhk h LYS 27 N 0.00 0.35 -0.22 0.00 1.79 -1.17 0.16 116.57 117.47 1qhk h LYS 27 Ca 0.00 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.50 1qhk h LYS 27 Cb 0.00 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.52 1qhk h LYS 27 CO 0.00 0.23 -0.10 -0.97 -1.08 0.00 0.00 179.45 177.53 1qhk h ASN 28 N 0.36 -0.34 0.52 0.86 -1.24 0.37 1.03 115.58 117.13 1qhk h ASN 28 Ca 0.40 0.08 -0.04 0.00 0.71 0.00 0.00 56.30 57.46 1qhk h ASN 28 Cb 0.64 0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 1qhk h ASN 28 CO -0.44 -0.13 -0.19 1.56 -1.29 0.00 0.00 177.43 176.94 1qhk h GLN 29 N -0.07 0.00 -2.19 6.67 1.08 0.25 -3.35 115.11 117.51 1qhk h GLN 29 Ca 0.12 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.80 1qhk h GLN 29 Cb 0.25 0.00 -0.35 0.00 -0.05 0.00 0.00 27.48 27.33 1qhk h GLN 29 CO -0.27 0.19 -0.89 0.14 -0.95 0.00 0.00 178.83 177.05 1qhk s VAL 30 N -4.04 0.11 -0.25 -0.54 -7.23 0.43 -5.05 120.40 103.84 1qhk s VAL 30 Ca -0.02 -2.27 0.03 0.00 -1.81 0.00 0.00 61.98 57.90 1qhk s VAL 30 Cb 0.13 -1.05 0.05 0.00 0.56 0.00 0.00 36.38 36.07 1qhk s VAL 30 CO 0.62 -1.03 -0.12 -0.62 -0.31 0.00 0.00 175.10 173.64 1qhk s ASP 31 N 0.32 4.23 0.00 4.85 2.15 0.33 -4.32 116.67 124.23 1qhk s ASP 31 Ca 0.30 -1.26 0.00 0.00 0.43 0.00 0.00 52.55 52.02 1qhk s ASP 31 Cb 0.00 -1.54 0.00 0.00 -0.30 0.00 0.00 42.92 41.08 1qhk s ASP 31 CO -0.15 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 1qhk n GLY 32 N 4.47 2.11 1.48 2.66 0.00 -1.26 -4.94 105.19 109.71 1qhk n GLY 32 Ca -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1qhk n GLY 32 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1qhk n TYR 33 N 0.00 0.00 0.23 1.61 4.11 -1.26 -4.60 117.16 117.25 1qhk n TYR 33 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.90 58.06 1qhk n TYR 33 Cb 0.00 -0.46 0.73 0.00 -0.00 0.00 0.00 39.34 39.61 1qhk n TYR 33 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 1qhk h GLY 34 N 3.15 0.00 -5.00 -7.48 0.00 -2.03 -3.26 103.07 88.46 1qhk h GLY 34 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1qhk h GLY 34 CO 0.00 0.00 -0.10 0.61 0.00 0.00 0.00 176.54 177.05 1qhk n GLY 35 N -1.35 -0.77 3.80 4.60 0.00 -1.26 -5.15 105.19 105.07 1qhk n GLY 35 Ca 0.02 0.57 -0.32 0.00 0.00 0.00 0.00 46.02 46.29 1qhk n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhk s ALA 36 N 0.12 2.70 -0.14 4.61 0.00 -1.23 -5.02 121.76 122.79 1qhk s ALA 36 Ca 0.21 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.41 1qhk s ALA 36 Cb 0.29 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 1qhk s ALA 36 CO -0.15 -0.93 0.26 -1.50 0.00 0.00 0.00 175.76 173.45 1qhk s ILE 37 N -2.52 5.32 -0.28 0.00 -1.16 -1.26 -5.05 121.20 116.24 1qhk s ILE 37 Ca 0.63 0.48 -0.29 0.00 -0.51 0.00 0.00 60.65 60.96 1qhk s ILE 37 Cb -0.16 -3.59 0.19 0.00 0.61 0.00 0.00 42.46 39.51 1qhk s ILE 37 CO 0.40 0.45 1.34 -0.72 -2.81 0.00 0.00 174.94 173.60 1qhk s TYR 38 N 0.09 -0.05 -0.53 3.50 -0.85 -1.26 -3.93 117.35 114.31 1qhk s TYR 38 Ca 0.16 0.10 0.04 0.00 -0.52 0.00 0.00 57.07 56.84 1qhk s TYR 38 Cb -0.13 0.49 0.14 0.00 0.38 0.00 0.00 41.96 42.84 1qhk s TYR 38 CO 0.04 -0.05 0.28 0.15 -1.52 0.00 0.00 175.55 174.46 1qhk s LYS 39 N -0.97 1.97 0.72 -3.49 3.01 0.11 -4.98 119.74 116.10 1qhk s LYS 39 Ca 0.08 -2.66 -0.16 0.00 -1.01 0.00 0.00 55.97 52.23 1qhk s LYS 39 Cb -0.01 -3.24 -0.04 0.00 -1.01 0.00 0.00 37.83 33.53 1qhk s LYS 39 CO -0.08 -1.14 0.56 1.17 0.51 0.00 0.00 175.35 176.37 1qhk n LYS 40 N 3.01 0.31 -3.61 1.68 0.00 -1.26 -1.20 118.16 117.08 1qhk n LYS 40 Ca 0.07 0.14 -0.10 0.00 0.00 0.00 0.00 58.31 58.42 1qhk n LYS 40 Cb 0.33 -1.85 -0.03 0.00 0.00 0.00 0.00 35.03 33.48 1qhk n LYS 40 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1qhk s PHE 41 N -1.91 -0.34 -0.34 5.64 0.08 0.43 -4.71 117.98 116.83 1qhk s PHE 41 Ca 0.66 0.03 0.13 0.00 0.12 0.00 0.00 56.93 57.87 1qhk s PHE 41 Cb -0.35 0.54 0.46 0.00 -0.57 0.00 0.00 43.02 43.10 1qhk s PHE 41 CO 0.58 -0.95 1.08 -1.71 -0.10 0.00 0.00 175.22 174.11 1qhk n ASN 42 N -0.38 3.12 0.00 1.36 2.85 -1.26 -0.93 115.26 120.02 1qhk n ASN 42 Ca -0.12 -3.08 0.00 0.00 -0.11 0.00 0.00 54.58 51.27 1qhk n ASN 42 Cb 0.63 -0.46 0.00 0.00 1.24 0.00 0.00 39.78 41.19 1qhk n ASN 42 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1qhk n SER 43 N -0.42 0.00 -0.53 1.20 7.64 -1.26 -4.95 113.62 115.30 1qhk n SER 43 Ca 0.24 0.00 0.43 0.00 1.01 0.00 0.00 58.87 60.55 1qhk n SER 43 Cb 0.80 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 64.66 1qhk n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qhk n TYR 44 N 0.00 0.00 0.03 1.43 9.36 -1.26 0.26 117.16 126.98 1qhk n TYR 44 Ca 0.00 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.11 1qhk n TYR 44 Cb 0.00 -0.40 0.01 0.00 -0.63 0.00 0.00 39.34 38.32 1qhk n TYR 44 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1qhk h GLU 45 N 0.00 0.49 0.04 2.98 3.07 -1.98 0.03 114.58 119.22 1qhk h GLU 45 Ca 0.75 -0.40 -0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1qhk h GLU 45 Cb 3.31 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 31.31 1qhk h GLU 45 CO -0.01 1.03 -0.02 1.96 -1.40 0.00 0.00 179.01 180.57 1qhk h GLN 46 N 0.34 -0.06 -0.69 2.33 4.20 0.32 -0.07 115.11 121.48 1qhk h GLN 46 Ca -0.03 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.80 1qhk h GLN 46 Cb 1.32 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 29.02 1qhk h GLN 46 CO 0.13 0.56 0.24 0.00 -0.67 0.00 0.00 178.83 179.09 1qhk h ALA 47 N -0.21 0.91 0.07 3.87 0.00 -1.28 0.22 119.26 122.83 1qhk h ALA 47 Ca -0.01 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qhk h ALA 47 Cb 0.65 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1qhk h ALA 47 CO 0.01 -0.23 -0.03 0.87 0.00 0.00 0.00 179.25 179.87 1qhk h LYS 48 N 0.39 -0.09 -1.09 0.00 1.79 -1.02 -0.06 116.57 116.49 1qhk h LYS 48 Ca 0.37 0.01 0.30 0.00 -2.18 0.00 0.00 60.65 59.14 1qhk h LYS 48 Cb 0.53 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 31.10 1qhk h LYS 48 CO -0.38 0.17 0.70 1.03 -1.08 0.00 0.00 179.45 179.88 1qhk h SER 49 N -0.34 0.41 0.17 0.86 0.87 0.29 0.57 113.55 116.37 1qhk h SER 49 Ca -0.01 0.09 -0.26 0.00 -1.23 0.00 0.00 61.79 60.38 1qhk h SER 49 Cb 0.30 0.03 0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1qhk h SER 49 CO 0.02 0.03 -1.07 -0.26 -0.53 0.00 0.00 176.83 175.02 1qhk h PHE 50 N 0.33 0.88 -0.73 2.24 -1.00 -0.48 -3.14 116.94 115.04 1qhk h PHE 50 Ca 0.63 -0.50 0.20 0.00 2.81 0.00 0.00 57.97 61.11 1qhk h PHE 50 Cb 1.70 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 41.13 1qhk h PHE 50 CO -0.00 1.34 0.52 -0.07 -1.61 0.00 0.00 178.31 178.48 1qhk h LEU 51 N 0.30 0.07 0.00 1.54 4.07 0.20 -3.51 115.31 117.98 1qhk h LEU 51 Ca -0.13 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1qhk h LEU 51 Cb 1.73 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.46 1qhk h LEU 51 CO 0.20 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.20