#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhk s ASN 7 N 0.00 2.92 0.03 1.61 -0.87 -0.75 -4.66 114.94 113.22 1qhk s ASN 7 Ca 0.00 -0.98 -0.12 0.00 -1.57 0.00 0.00 52.86 50.19 1qhk s ASN 7 Cb 0.00 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.25 40.98 1qhk s ASN 7 CO 0.00 -0.07 0.38 -0.36 -2.57 0.00 0.00 177.10 174.48 1qhk s PHE 8 N -2.58 3.65 -0.17 2.20 0.08 0.12 0.11 117.98 121.38 1qhk s PHE 8 Ca 0.23 0.85 -0.04 0.00 0.12 0.00 0.00 56.93 58.08 1qhk s PHE 8 Cb -0.03 -2.19 0.07 0.00 -0.57 0.00 0.00 43.02 40.29 1qhk s PHE 8 CO 0.09 0.59 0.13 -0.47 -0.10 0.00 0.00 175.22 175.46 1qhk s TYR 9 N -1.24 0.02 -0.79 0.36 6.14 -0.58 0.65 117.35 121.91 1qhk s TYR 9 Ca 0.28 -0.06 -0.26 0.00 0.64 0.00 0.00 57.07 57.67 1qhk s TYR 9 Cb -0.15 -0.55 0.02 0.00 0.42 0.00 0.00 41.96 41.70 1qhk s TYR 9 CO 0.15 -0.50 1.43 0.00 0.64 0.00 0.00 175.55 177.27 1qhk s ALA 10 N 2.21 2.61 0.03 3.97 0.00 -0.46 0.06 121.76 130.18 1qhk s ALA 10 Ca 0.04 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 1qhk s ALA 10 Cb -0.15 -4.34 0.01 0.00 0.00 0.00 0.00 23.12 18.63 1qhk s ALA 10 CO -0.09 -3.52 0.22 0.08 0.00 0.00 0.00 175.76 172.45 1qhk s VAL 11 N 6.23 0.09 0.00 0.00 1.01 0.25 0.28 120.40 128.26 1qhk s VAL 11 Ca 0.43 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1qhk s VAL 11 Cb -0.07 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1qhk s VAL 11 CO 0.09 -0.42 0.00 -1.14 0.00 0.00 0.00 175.10 173.63 1qhk n ARG 12 N 0.88 0.00 -1.32 2.72 0.63 -1.26 -0.32 116.66 117.99 1qhk n ARG 12 Ca -0.20 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 56.88 1qhk n ARG 12 Cb 0.58 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.42 1qhk n ARG 12 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1qhk n LYS 13 N 0.00 -2.77 0.00 -0.14 4.81 -1.26 -4.62 118.16 114.18 1qhk n LYS 13 Ca 0.00 2.19 0.00 0.00 -0.87 0.00 0.00 58.31 59.63 1qhk n LYS 13 Cb 0.00 -3.35 0.00 0.00 0.02 0.00 0.00 35.03 31.70 1qhk n LYS 13 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qhk n GLY 14 N -4.08 -1.47 0.05 3.14 0.00 -1.26 -3.66 105.19 97.91 1qhk n GLY 14 Ca -0.06 -1.30 -0.05 0.00 0.00 0.00 0.00 46.02 44.61 1qhk n GLY 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1qhk n ARG 15 N -0.00 0.33 -0.15 1.61 0.63 -1.26 -4.59 116.66 113.22 1qhk n ARG 15 Ca 0.00 0.22 -0.08 0.00 -0.92 0.00 0.00 57.85 57.07 1qhk n ARG 15 Cb 0.00 -1.17 0.01 0.00 0.45 0.00 0.00 32.46 31.75 1qhk n ARG 15 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1qhk h GLU 16 N -0.64 0.63 0.00 -0.14 9.09 -1.84 -3.48 114.58 118.20 1qhk h GLU 16 Ca 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.35 1qhk h GLU 16 Cb 0.55 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 1qhk h GLU 16 CO 0.00 0.48 0.00 0.25 0.05 0.00 0.00 179.01 179.79 1qhk n THR 17 N -4.71 0.00 -3.00 -1.06 -2.24 -1.24 -4.67 114.28 97.36 1qhk n THR 17 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1qhk n THR 17 Cb 0.07 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1qhk n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qhk n GLY 18 N 0.00 5.60 3.03 3.38 0.00 0.56 -4.80 105.19 112.96 1qhk n GLY 18 Ca 0.00 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.69 -0.03 0.47 -0.61 1.01 -1.25 0.85 121.20 120.94 1qhk s ILE 19 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.82 1qhk s ILE 19 Cb 0.00 -0.34 0.05 0.00 0.01 0.00 0.00 42.46 42.18 1qhk s ILE 19 CO 0.00 0.05 0.40 -1.22 0.00 0.00 0.00 174.94 174.17 1qhk n TYR 20 N 3.98 -1.03 -2.72 3.97 4.01 0.11 -4.84 117.16 120.64 1qhk n TYR 20 Ca -0.23 -1.92 -0.07 0.00 -0.16 0.00 0.00 57.90 55.51 1qhk n TYR 20 Cb 0.54 -0.39 0.07 0.00 -0.31 0.00 0.00 39.34 39.25 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 -1.96 -2.37 -3.62 7.72 4.05 -1.14 -1.53 115.26 116.41 1qhk n ASN 21 Ca 0.01 -3.08 -0.09 0.00 0.45 0.00 0.00 54.58 51.86 1qhk n ASN 21 Cb 0.52 1.65 -0.02 0.00 1.23 0.00 0.00 39.78 43.16 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 0.43 0.00 -0.12 -0.44 2.01 0.30 -4.45 115.64 113.37 1qhk s THR 22 Ca 0.27 -0.45 -0.28 0.00 0.31 0.00 0.00 61.69 61.54 1qhk s THR 22 Cb 0.25 -1.46 -0.25 0.00 0.01 0.00 0.00 72.50 71.04 1qhk s THR 22 CO -0.16 0.00 0.85 -0.25 -0.69 0.00 0.00 174.62 174.36 1qhk h TRP 23 N 2.00 0.01 0.20 4.92 -0.00 -1.83 -1.94 115.95 119.31 1qhk h TRP 23 Ca -0.27 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.61 1qhk h TRP 23 Cb 1.28 -0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.44 1qhk h TRP 23 CO 0.32 0.93 -0.10 -0.91 -0.00 0.00 0.00 178.44 178.68 1qhk h ASN 24 N -0.91 -0.23 -1.00 2.65 2.35 -1.96 -2.38 115.58 114.09 1qhk h ASN 24 Ca -0.00 -0.23 0.28 0.00 -0.55 0.00 0.00 56.30 55.80 1qhk h ASN 24 Cb 0.94 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.32 1qhk h ASN 24 CO 0.00 0.12 0.71 -0.33 -1.65 0.00 0.00 177.43 176.28 1qhk h GLU 25 N -0.62 0.06 0.10 0.81 4.39 -1.95 2.48 114.58 119.86 1qhk h GLU 25 Ca -0.03 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1qhk h GLU 25 Cb 0.45 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1qhk h GLU 25 CO 0.05 0.04 -0.05 0.00 -1.16 0.00 0.00 179.01 177.89 1qhk h LYS 27 N -0.51 0.16 -0.53 0.00 1.57 -0.31 -1.45 116.57 115.50 1qhk h LYS 27 Ca -0.01 -0.18 0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1qhk h LYS 27 Cb 0.42 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.69 1qhk h LYS 27 CO 0.02 0.94 0.00 -0.97 -0.57 0.00 0.00 179.45 178.88 1qhk h ASN 28 N -0.55 -0.22 -0.43 0.86 -0.73 0.40 2.45 115.58 117.37 1qhk h ASN 28 Ca -0.03 0.13 -0.09 0.00 1.87 0.00 0.00 56.30 58.18 1qhk h ASN 28 Cb 1.04 0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.83 1qhk h ASN 28 CO 0.05 -0.08 -0.04 0.06 -0.37 0.00 0.00 177.43 177.05 1qhk h GLN 29 N 0.12 0.85 -1.99 6.67 3.07 -0.91 -3.36 115.11 119.57 1qhk h GLN 29 Ca 0.27 -0.26 -0.55 0.00 0.09 0.00 0.00 58.65 58.20 1qhk h GLN 29 Cb 0.41 -0.08 -0.38 0.00 0.08 0.00 0.00 27.48 27.51 1qhk h GLN 29 CO -0.44 0.88 -1.06 1.33 0.09 0.00 0.00 178.83 179.63 1qhk n VAL 30 N -4.19 -0.77 -3.92 1.86 0.24 0.39 -5.04 118.33 106.91 1qhk n VAL 30 Ca 0.02 -3.79 -0.30 0.00 -2.04 0.00 0.00 64.34 58.23 1qhk n VAL 30 Cb 0.33 -1.76 -0.14 0.00 -1.47 0.00 0.00 33.84 30.81 1qhk n VAL 30 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1qhk s ASP 31 N -0.95 4.22 0.00 -1.34 2.15 0.80 -4.53 116.67 117.02 1qhk s ASP 31 Ca 0.34 -2.95 0.00 0.00 0.43 0.00 0.00 52.55 50.37 1qhk s ASP 31 Cb 0.15 -1.55 0.00 0.00 -0.30 0.00 0.00 42.92 41.21 1qhk s ASP 31 CO -0.13 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 1qhk n GLY 32 N 3.18 1.78 3.43 2.66 0.00 -1.26 -4.97 105.19 110.02 1qhk n GLY 32 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1qhk n GLY 32 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qhk s TYR 33 N -2.00 3.06 0.00 1.61 1.51 -1.26 -5.04 117.35 115.23 1qhk s TYR 33 Ca 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1qhk s TYR 33 Cb 0.00 -2.16 0.00 0.00 -0.11 0.00 0.00 41.96 39.69 1qhk s TYR 33 CO 0.00 -0.33 0.57 0.41 -1.11 0.00 0.00 175.55 175.09 1qhk n GLY 34 N 4.63 -2.97 2.50 0.71 0.00 -1.26 -4.05 105.19 104.76 1qhk n GLY 34 Ca -0.17 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1qhk n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qhk n GLY 35 N -0.61 5.92 3.49 -0.02 0.00 -1.26 -5.05 105.19 107.66 1qhk n GLY 35 Ca 0.00 -2.60 -0.32 0.00 0.00 0.00 0.00 46.02 43.10 1qhk n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhk n ALA 36 N -0.61 -2.21 -2.57 4.61 0.00 -1.26 -4.93 120.51 113.54 1qhk n ALA 36 Ca 0.48 -0.71 -0.39 0.00 0.00 0.00 0.00 53.44 52.82 1qhk n ALA 36 Cb 0.59 -1.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.07 1qhk n ALA 36 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1qhk s ILE 37 N -2.46 4.97 -0.30 0.00 -1.16 -1.26 -5.02 121.20 115.97 1qhk s ILE 37 Ca 0.61 1.29 -0.28 0.00 -0.51 0.00 0.00 60.65 61.76 1qhk s ILE 37 Cb -0.21 -3.96 0.20 0.00 0.61 0.00 0.00 42.46 39.09 1qhk s ILE 37 CO 0.64 0.36 1.40 -0.72 -2.81 0.00 0.00 174.94 173.81 1qhk s TYR 38 N 0.19 -0.02 -0.47 3.50 -0.85 -1.26 -4.38 117.35 114.07 1qhk s TYR 38 Ca 0.33 0.03 0.03 0.00 -0.52 0.00 0.00 57.07 56.93 1qhk s TYR 38 Cb -0.18 0.50 0.14 0.00 0.38 0.00 0.00 41.96 42.80 1qhk s TYR 38 CO 0.17 -0.01 0.28 0.15 -1.52 0.00 0.00 175.55 174.62 1qhk s LYS 39 N -0.86 1.38 0.60 -3.49 3.01 0.14 -4.99 119.74 115.53 1qhk s LYS 39 Ca 0.09 -2.17 -0.18 0.00 -1.01 0.00 0.00 55.97 52.70 1qhk s LYS 39 Cb -0.02 -2.35 -0.13 0.00 -1.01 0.00 0.00 37.83 34.33 1qhk s LYS 39 CO -0.10 -1.20 -0.02 1.63 0.51 0.00 0.00 175.35 176.17 1qhk n LYS 40 N 3.28 0.12 -3.57 1.68 5.02 -1.26 -1.35 118.16 122.08 1qhk n LYS 40 Ca 0.12 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.36 1qhk n LYS 40 Cb 0.36 -1.21 -0.02 0.00 -0.02 0.00 0.00 35.03 34.14 1qhk n LYS 40 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1qhk s PHE 41 N -1.94 -0.38 -0.27 2.13 0.08 0.21 -4.64 117.98 113.16 1qhk s PHE 41 Ca 0.58 0.10 0.21 0.00 0.12 0.00 0.00 56.93 57.93 1qhk s PHE 41 Cb -0.44 0.53 0.50 0.00 -0.57 0.00 0.00 43.02 43.05 1qhk s PHE 41 CO 0.65 -0.92 1.11 -1.71 -0.10 0.00 0.00 175.22 174.26 1qhk n ASN 42 N -0.37 2.01 0.00 1.36 2.85 -1.26 0.12 115.26 119.96 1qhk n ASN 42 Ca -0.14 -2.29 0.00 0.00 -0.11 0.00 0.00 54.58 52.04 1qhk n ASN 42 Cb 0.63 -0.47 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 -0.24 -2.11 0.00 0.00 177.26 174.91 1qhk n SER 43 N -0.58 0.00 -0.56 1.20 2.88 -1.26 -4.91 113.62 110.40 1qhk n SER 43 Ca 0.12 0.00 0.43 0.00 -1.33 0.00 0.00 58.87 58.09 1qhk n SER 43 Cb 0.82 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.94 1qhk n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qhk n TYR 44 N 0.00 0.00 -0.06 0.66 9.36 -1.26 0.24 117.16 126.10 1qhk n TYR 44 Ca 0.00 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.07 1qhk n TYR 44 Cb 0.00 -0.39 -0.04 0.00 -0.63 0.00 0.00 39.34 38.27 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 0.84 0.06 2.98 5.08 -1.98 0.11 114.58 121.67 1qhk h GLU 45 Ca 0.75 -0.57 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1qhk h GLU 45 Cb 3.09 0.08 0.00 0.00 0.50 0.00 0.00 28.75 32.42 1qhk h GLU 45 CO -0.01 1.20 -0.03 1.96 -1.00 0.00 0.00 179.01 181.13 1qhk h GLN 46 N 0.62 -0.08 -0.69 2.33 1.08 0.27 -1.07 115.11 117.58 1qhk h GLN 46 Ca -0.00 0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.31 1qhk h GLN 46 Cb 1.23 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 28.59 1qhk h GLN 46 CO 0.13 0.51 0.29 0.00 -0.95 0.00 0.00 178.83 178.81 1qhk h ALA 47 N 0.03 0.93 0.84 3.87 0.00 -1.36 -0.52 119.26 123.06 1qhk h ALA 47 Ca -0.01 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1qhk h ALA 47 Cb 0.62 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qhk h ALA 47 CO 0.01 -0.16 -0.40 0.87 0.00 0.00 0.00 179.25 179.58 1qhk h LYS 48 N 0.48 -1.08 -1.16 0.00 1.79 -0.77 0.36 116.57 116.19 1qhk h LYS 48 Ca 0.36 0.07 0.41 0.00 -2.18 0.00 0.00 60.65 59.31 1qhk h LYS 48 Cb 0.46 0.25 -0.15 0.00 -1.58 0.00 0.00 32.23 31.21 1qhk h LYS 48 CO -0.33 -0.72 0.70 1.03 -1.08 0.00 0.00 179.45 179.05 1qhk h SER 49 N -1.20 0.32 0.47 0.86 0.87 -0.73 1.43 113.55 115.57 1qhk h SER 49 Ca -0.11 0.19 -0.25 0.00 -1.23 0.00 0.00 61.79 60.39 1qhk h SER 49 Cb 0.86 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1qhk h SER 49 CO 0.19 -0.25 -1.07 0.15 -0.53 0.00 0.00 176.83 175.32 1qhk h PHE 50 N 0.11 0.55 -0.86 2.24 3.04 -0.51 -3.20 116.94 118.30 1qhk h PHE 50 Ca 0.81 -0.34 0.19 0.00 3.98 0.00 0.00 57.97 62.61 1qhk h PHE 50 Cb 2.30 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 40.70 1qhk h PHE 50 CO -0.01 1.20 0.57 -0.07 -2.02 0.00 0.00 178.31 177.98 1qhk h LEU 51 N 0.16 0.38 0.00 0.59 4.07 0.61 -3.48 115.31 117.64 1qhk h LEU 51 Ca -0.10 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1qhk h LEU 51 Cb 1.74 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.44 1qhk h LEU 51 CO 0.18 0.17 0.00 0.61 -1.08 0.00 0.00 178.44 178.32