#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 0.32 -0.14 1.61 -0.87 -0.72 -4.57 114.94 110.57 1qhk s ASN 7 Ca 0.00 -1.14 -0.07 0.00 -1.57 0.00 0.00 52.86 50.08 1qhk s ASN 7 Cb 0.00 0.29 -0.04 0.00 -0.02 0.00 0.00 41.25 41.48 1qhk s ASN 7 CO 0.00 -0.71 0.11 -0.36 -2.57 0.00 0.00 177.10 173.56 1qhk s PHE 8 N -4.02 3.45 -0.09 2.20 0.08 -0.33 0.99 117.98 120.26 1qhk s PHE 8 Ca 0.20 0.38 -0.03 0.00 0.12 0.00 0.00 56.93 57.60 1qhk s PHE 8 Cb 0.07 -1.98 0.04 0.00 -0.57 0.00 0.00 43.02 40.58 1qhk s PHE 8 CO -0.01 0.52 0.06 -0.47 -0.10 0.00 0.00 175.22 175.23 1qhk s TYR 9 N -0.52 0.22 -0.68 0.36 6.14 -0.62 0.94 117.35 123.19 1qhk s TYR 9 Ca 0.12 -0.02 -0.27 0.00 0.64 0.00 0.00 57.07 57.53 1qhk s TYR 9 Cb -0.12 -0.61 0.03 0.00 0.42 0.00 0.00 41.96 41.68 1qhk s TYR 9 CO 0.02 -0.33 1.29 0.00 0.64 0.00 0.00 175.55 177.18 1qhk s ALA 10 N 2.12 2.79 0.09 3.97 0.00 -0.52 -0.10 121.76 130.12 1qhk s ALA 10 Ca 0.04 -1.15 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 1qhk s ALA 10 Cb -0.14 -4.19 0.00 0.00 0.00 0.00 0.00 23.12 18.79 1qhk s ALA 10 CO -0.05 -3.13 0.20 0.08 0.00 0.00 0.00 175.76 172.86 1qhk s VAL 11 N 5.70 0.14 0.00 0.00 1.01 0.12 0.29 120.40 127.67 1qhk s VAL 11 Ca 0.40 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1qhk s VAL 11 Cb -0.08 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1qhk s VAL 11 CO 0.19 -0.63 0.00 -1.14 0.00 0.00 0.00 175.10 173.52 1qhk n ARG 12 N -0.02 0.00 -1.08 2.72 0.63 -1.26 0.84 116.66 118.49 1qhk n ARG 12 Ca -0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 1qhk n ARG 12 Cb 0.62 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.53 1qhk n ARG 12 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1qhk n LYS 13 N 0.00 -1.24 0.00 -0.14 5.02 -1.26 -4.94 118.16 115.60 1qhk n LYS 13 Ca 0.00 1.27 0.00 0.00 -2.02 0.00 0.00 58.31 57.56 1qhk n LYS 13 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1qhk n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qhk n GLY 14 N 0.43 0.60 1.31 0.72 0.00 -1.26 -4.74 105.19 102.25 1qhk n GLY 14 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1qhk n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qhk n ARG 15 N 0.00 0.00 -1.57 1.61 1.74 -1.26 -4.90 116.66 112.28 1qhk n ARG 15 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1qhk n ARG 15 Cb 0.00 -0.35 -0.09 0.00 -1.02 0.00 0.00 32.46 30.99 1qhk n ARG 15 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1qhk n GLU 16 N -3.13 0.33 -1.82 5.56 -0.58 -1.26 -4.89 120.64 114.85 1qhk n GLU 16 Ca 0.00 -1.25 -0.31 0.00 -0.42 0.00 0.00 57.16 55.18 1qhk n GLU 16 Cb 0.20 -3.79 0.03 0.00 -0.57 0.00 0.00 31.44 27.31 1qhk n GLU 16 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1qhk s THR 17 N 15.97 4.30 0.00 2.62 -4.23 -1.26 -4.63 115.64 128.40 1qhk s THR 17 Ca 0.87 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 62.13 1qhk s THR 17 Cb -0.10 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1qhk s THR 17 CO 0.14 -0.97 0.00 0.61 -0.54 0.00 0.00 174.62 173.85 1qhk n GLY 18 N -2.67 5.38 3.11 3.99 0.00 0.25 -4.85 105.19 110.39 1qhk n GLY 18 Ca 0.06 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.66 -0.43 0.69 -0.61 1.01 -1.25 0.15 121.20 120.11 1qhk s ILE 19 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.86 1qhk s ILE 19 Cb 0.00 -0.52 0.11 0.00 0.01 0.00 0.00 42.46 42.06 1qhk s ILE 19 CO 0.00 0.09 0.96 -0.31 0.00 0.00 0.00 174.94 175.68 1qhk s TYR 20 N 2.31 1.90 -0.44 3.97 2.02 0.85 -4.78 117.35 123.18 1qhk s TYR 20 Ca -0.01 -0.17 0.07 0.00 -0.37 0.00 0.00 57.07 56.59 1qhk s TYR 20 Cb -0.12 -2.98 0.33 0.00 -0.40 0.00 0.00 41.96 38.79 1qhk s TYR 20 CO -0.10 -1.56 1.06 -1.71 -1.57 0.00 0.00 175.55 171.67 1qhk n ASN 21 N -2.77 -1.72 -3.54 2.29 4.05 -1.07 -1.59 115.26 110.90 1qhk n ASN 21 Ca 0.13 -3.51 -0.10 0.00 0.45 0.00 0.00 54.58 51.55 1qhk n ASN 21 Cb 0.60 1.42 -0.02 0.00 1.23 0.00 0.00 39.78 43.01 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 -0.25 0.00 -0.02 -0.44 2.01 0.28 -4.36 115.64 112.86 1qhk s THR 22 Ca 0.25 -0.26 -0.20 0.00 0.31 0.00 0.00 61.69 61.79 1qhk s THR 22 Cb 0.31 -1.27 -0.30 0.00 0.01 0.00 0.00 72.50 71.25 1qhk s THR 22 CO -0.06 0.00 0.97 -0.25 -0.69 0.00 0.00 174.62 174.59 1qhk h TRP 23 N 2.00 0.64 0.65 4.92 7.01 -1.82 -1.84 115.95 127.51 1qhk h TRP 23 Ca -0.29 -0.44 -0.03 0.00 2.11 0.00 0.00 58.89 60.24 1qhk h TRP 23 Cb 1.29 -0.04 0.01 0.00 -2.10 0.00 0.00 29.16 28.31 1qhk h TRP 23 CO 0.28 1.31 -0.31 -0.97 -2.79 0.00 0.00 178.44 175.96 1qhk h ASN 24 N -0.20 -0.74 -1.10 2.65 -1.24 -1.96 -1.12 115.58 111.87 1qhk h ASN 24 Ca -0.14 -0.01 0.32 0.00 0.71 0.00 0.00 56.30 57.17 1qhk h ASN 24 Cb 1.64 0.19 -0.12 0.00 0.73 0.00 0.00 38.32 40.76 1qhk h ASN 24 CO 0.16 -0.43 0.68 -0.33 -1.29 0.00 0.00 177.43 176.23 1qhk h GLU 25 N -1.03 0.31 -0.00 6.67 4.39 -1.95 2.67 114.58 125.64 1qhk h GLU 25 Ca -0.09 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1qhk h GLU 25 Cb 0.71 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1qhk h GLU 25 CO 0.15 0.21 -0.00 0.00 -1.16 0.00 0.00 179.01 178.20 1qhk h LYS 27 N -0.34 0.16 -0.40 0.00 1.79 0.58 -1.28 116.57 117.08 1qhk h LYS 27 Ca 0.00 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1qhk h LYS 27 Cb 0.34 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 1qhk h LYS 27 CO 0.00 0.90 0.17 -0.97 -1.08 0.00 0.00 179.45 178.48 1qhk h ASN 28 N 0.10 0.54 0.64 0.86 -1.24 0.46 0.12 115.58 117.06 1qhk h ASN 28 Ca -0.03 -0.15 -0.15 0.00 0.71 0.00 0.00 56.30 56.67 1qhk h ASN 28 Cb 1.44 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 40.33 1qhk h ASN 28 CO 0.12 0.54 -0.71 0.06 -1.29 0.00 0.00 177.43 176.16 1qhk h GLN 29 N 0.51 0.05 -2.21 6.67 -0.00 -1.09 -3.39 115.11 115.65 1qhk h GLN 29 Ca 0.14 -0.05 -0.52 0.00 -0.00 0.00 0.00 58.65 58.23 1qhk h GLN 29 Cb 0.16 0.01 -0.35 0.00 -0.00 0.00 0.00 27.48 27.30 1qhk h GLN 29 CO -0.01 0.74 -0.87 0.14 -0.00 0.00 0.00 178.83 178.82 1qhk s VAL 30 N -3.44 0.07 -0.65 1.86 -7.23 -0.49 -5.00 120.40 105.53 1qhk s VAL 30 Ca -0.01 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.10 1qhk s VAL 30 Cb 0.12 -1.02 0.33 0.00 0.56 0.00 0.00 36.38 36.37 1qhk s VAL 30 CO 0.78 -0.98 1.05 -0.67 -0.31 0.00 0.00 175.10 174.97 1qhk n ASP 31 N 3.24 4.84 0.00 4.85 2.03 0.37 -4.46 116.55 127.42 1qhk n ASP 31 Ca 0.23 -3.67 0.00 0.00 0.52 0.00 0.00 54.79 51.88 1qhk n ASP 31 Cb 0.46 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1qhk n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qhk n GLY 32 N -0.11 0.62 3.07 0.27 0.00 -1.26 -5.07 105.19 102.70 1qhk n GLY 32 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.14 3.37 -0.40 1.61 1.51 -1.26 -4.96 117.35 116.07 1qhk s TYR 33 Ca 0.00 -2.44 0.26 0.00 -1.01 0.00 0.00 57.07 53.88 1qhk s TYR 33 Cb 0.00 -2.15 0.85 0.00 -0.11 0.00 0.00 41.96 40.55 1qhk s TYR 33 CO 0.00 -0.89 1.77 0.78 -1.11 0.00 0.00 175.55 176.10 1qhk h GLY 34 N 7.75 0.00 -3.55 0.71 0.00 -2.00 -3.30 103.07 102.68 1qhk h GLY 34 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 1qhk h GLY 34 CO 0.48 0.00 -1.04 0.61 0.00 0.00 0.00 176.54 176.58 1qhk n GLY 35 N 0.67 1.35 3.82 4.60 0.00 -1.26 -5.10 105.19 109.27 1qhk n GLY 35 Ca 0.03 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.05 2.72 -0.12 4.61 0.00 -1.25 -5.00 121.76 121.66 1qhk s ALA 36 Ca 0.33 0.13 -0.19 0.00 0.00 0.00 0.00 51.96 52.23 1qhk s ALA 36 Cb 0.37 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1qhk s ALA 36 CO -0.13 -1.11 0.53 -1.50 0.00 0.00 0.00 175.76 173.55 1qhk s ILE 37 N -2.94 5.14 0.00 0.00 -1.16 -1.26 -5.00 121.20 115.99 1qhk s ILE 37 Ca 0.59 1.06 0.00 0.00 -0.51 0.00 0.00 60.65 61.79 1qhk s ILE 37 Cb -0.14 -3.87 0.00 0.00 0.61 0.00 0.00 42.46 39.06 1qhk s ILE 37 CO 0.51 0.29 0.00 0.00 -2.81 0.00 0.00 174.94 172.93 1qhk n TYR 38 N 3.87 0.00 -3.15 3.50 4.11 -1.26 -4.36 117.16 119.87 1qhk n TYR 38 Ca -0.05 0.00 -0.46 0.00 -0.00 0.00 0.00 57.90 57.39 1qhk n TYR 38 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.83 1qhk n TYR 38 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1qhk s LYS 39 N 0.00 3.58 0.77 -3.48 3.01 0.15 -4.89 119.74 118.87 1qhk s LYS 39 Ca 0.00 -2.11 -0.16 0.00 -1.01 0.00 0.00 55.97 52.68 1qhk s LYS 39 Cb 0.00 -4.63 -0.07 0.00 -1.01 0.00 0.00 37.83 32.13 1qhk s LYS 39 CO 0.00 -1.51 0.15 1.17 0.51 0.00 0.00 175.35 175.68 1qhk n LYS 40 N 5.17 0.11 -3.50 1.68 0.00 -1.26 -1.43 118.16 118.92 1qhk n LYS 40 Ca 0.17 0.06 -0.11 0.00 0.00 0.00 0.00 58.31 58.43 1qhk n LYS 40 Cb 0.48 -1.54 -0.03 0.00 0.00 0.00 0.00 35.03 33.94 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 -2.02 -0.42 -0.24 5.64 0.08 0.27 -4.72 117.98 116.58 1qhk s PHE 41 Ca 0.58 0.17 0.14 0.00 0.12 0.00 0.00 56.93 57.93 1qhk s PHE 41 Cb -0.32 0.45 0.46 0.00 -0.57 0.00 0.00 43.02 43.04 1qhk s PHE 41 CO 0.65 -0.79 1.17 0.09 -0.10 0.00 0.00 175.22 176.25 1qhk n ASN 42 N -0.32 3.11 0.00 1.36 3.02 -1.26 -1.19 115.26 119.98 1qhk n ASN 42 Ca -0.17 -3.18 0.00 0.00 -0.03 0.00 0.00 54.58 51.20 1qhk n ASN 42 Cb 0.65 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1qhk n ASN 42 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1qhk n SER 43 N -0.64 0.00 -0.52 6.41 7.64 -1.26 -4.96 113.62 120.29 1qhk n SER 43 Ca 0.26 0.00 0.42 0.00 1.01 0.00 0.00 58.87 60.56 1qhk n SER 43 Cb 0.89 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 64.73 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 -0.22 1.43 9.36 -1.26 0.20 117.16 126.67 1qhk n TYR 44 Ca 0.00 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.14 1qhk n TYR 44 Cb 0.00 -0.39 0.03 0.00 -0.63 0.00 0.00 39.34 38.35 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 0.94 0.01 2.98 5.08 -1.98 0.29 114.58 121.90 1qhk h GLU 45 Ca 0.73 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1qhk h GLU 45 Cb 3.20 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 32.31 1qhk h GLU 45 CO -0.01 0.84 -0.01 1.96 -1.00 0.00 0.00 179.01 180.79 1qhk h GLN 46 N 0.86 -0.01 -0.34 2.33 1.08 0.18 -0.69 115.11 118.51 1qhk h GLN 46 Ca 0.20 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.47 1qhk h GLN 46 Cb 0.29 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.64 1qhk h GLN 46 CO -0.01 0.78 -0.18 0.00 -0.95 0.00 0.00 178.83 178.48 1qhk h ALA 47 N 0.05 0.08 0.13 3.87 0.00 -1.40 0.65 119.26 122.63 1qhk h ALA 47 Ca -0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1qhk h ALA 47 Cb 0.81 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1qhk h ALA 47 CO 0.00 -0.56 -0.06 -0.22 0.00 0.00 0.00 179.25 178.41 1qhk h LYS 48 N -0.12 -0.16 -1.04 0.00 3.11 -0.50 0.70 116.57 118.55 1qhk h LYS 48 Ca 0.17 0.01 0.30 0.00 -2.81 0.00 0.00 60.65 58.32 1qhk h LYS 48 Cb 0.39 0.04 -0.13 0.00 -1.00 0.00 0.00 32.23 31.53 1qhk h LYS 48 CO -0.42 -0.09 0.62 1.03 -2.81 0.00 0.00 179.45 177.78 1qhk h SER 49 N -0.19 0.53 0.68 4.20 0.87 0.03 1.30 113.55 120.97 1qhk h SER 49 Ca -0.02 0.15 -0.18 0.00 -1.23 0.00 0.00 61.79 60.51 1qhk h SER 49 Cb 0.15 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1qhk h SER 49 CO 0.03 -0.02 -0.82 -0.26 -0.53 0.00 0.00 176.83 175.22 1qhk h PHE 50 N 0.40 0.15 0.00 2.24 -1.00 0.07 -3.38 116.94 115.42 1qhk h PHE 50 Ca 0.69 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 61.39 1qhk h PHE 50 Cb 1.59 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.13 1qhk h PHE 50 CO -0.01 0.88 0.00 1.28 -1.61 0.00 0.00 178.31 178.85 1qhk n LEU 51 N -3.64 0.00 0.00 1.54 4.32 0.45 -5.10 117.00 114.56 1qhk n LEU 51 Ca -0.02 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1qhk n LEU 51 Cb 0.78 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.58 1qhk n LEU 51 CO 0.46 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.24