#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 -0.68 -4.92 1.61 3.02 -0.71 -4.63 115.26 108.96 1qhk n ASN 7 Ca 0.00 -1.61 -0.30 0.00 -0.03 0.00 0.00 54.58 52.64 1qhk n ASN 7 Cb 0.00 1.17 -0.04 0.00 -0.61 0.00 0.00 39.78 40.30 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 -5.66 3.49 -0.21 3.10 0.40 0.89 0.16 117.98 120.16 1qhk s PHE 8 Ca 0.08 0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 56.58 1qhk s PHE 8 Cb -0.01 -1.73 0.09 0.00 0.51 0.00 0.00 43.02 41.87 1qhk s PHE 8 CO 0.06 0.57 0.17 -0.47 0.70 0.00 0.00 175.22 176.25 1qhk s TYR 9 N -1.55 -0.05 -0.37 0.36 6.14 -0.44 -0.86 117.35 120.58 1qhk s TYR 9 Ca 0.35 -0.15 -0.29 0.00 0.64 0.00 0.00 57.07 57.62 1qhk s TYR 9 Cb -0.13 -0.56 0.02 0.00 0.42 0.00 0.00 41.96 41.71 1qhk s TYR 9 CO 0.28 -0.63 1.20 0.00 0.64 0.00 0.00 175.55 177.04 1qhk s ALA 10 N 2.23 3.31 0.11 3.97 0.00 -0.31 -0.63 121.76 130.43 1qhk s ALA 10 Ca 0.06 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1qhk s ALA 10 Cb -0.16 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 1qhk s ALA 10 CO -0.16 -1.90 -0.07 0.08 0.00 0.00 0.00 175.76 173.71 1qhk s VAL 11 N 4.31 0.80 0.12 0.00 1.01 0.22 0.40 120.40 127.26 1qhk s VAL 11 Ca 0.51 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1qhk s VAL 11 Cb -0.12 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1qhk s VAL 11 CO 0.24 -0.83 0.00 -1.14 0.00 0.00 0.00 175.10 173.38 1qhk n ARG 12 N -0.03 0.00 0.00 2.72 0.63 -1.26 0.25 116.66 118.98 1qhk n ARG 12 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 1qhk n ARG 12 Cb 0.61 -0.18 0.00 0.00 0.45 0.00 0.00 32.46 33.33 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 -3.12 0.00 0.00 -0.14 3.00 -1.26 -3.42 118.16 113.22 1qhk n LYS 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1qhk n LYS 13 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.11 1qhk n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qhk n GLY 14 N 0.00 0.01 0.00 3.14 0.00 -1.26 -5.00 105.19 102.07 1qhk n GLY 14 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -3.60 1.61 3.00 -1.22 -4.90 116.66 111.55 1qhk n ARG 15 Ca 0.00 0.41 -0.03 0.00 -0.00 0.00 0.00 57.85 58.23 1qhk n ARG 15 Cb 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 32.46 31.01 1qhk n ARG 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1qhk s GLU 16 N -2.58 0.51 -0.12 -0.14 2.02 -1.25 -5.12 118.70 112.02 1qhk s GLU 16 Ca 0.00 1.00 -0.40 0.00 0.02 0.00 0.00 54.97 55.59 1qhk s GLU 16 Cb 0.00 0.30 -0.17 0.00 0.10 0.00 0.00 34.13 34.36 1qhk s GLU 16 CO 0.00 -0.13 1.47 2.41 0.02 0.00 0.00 175.26 179.04 1qhk n THR 17 N 4.43 0.11 -3.73 3.63 -1.04 -1.26 -4.73 114.28 111.69 1qhk n THR 17 Ca -0.16 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.05 61.69 1qhk n THR 17 Cb 0.56 -0.81 -0.08 0.00 -1.82 0.00 0.00 70.33 68.18 1qhk n THR 17 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1qhk s GLY 18 N 1.79 -0.20 -0.17 3.41 0.00 0.14 -4.95 107.32 107.34 1qhk s GLY 18 Ca 0.93 0.38 -0.05 0.00 0.00 0.00 0.00 44.72 45.98 1qhk s GLY 18 CO 0.59 0.15 0.01 -0.42 0.00 0.00 0.00 173.10 173.44 1qhk s ILE 19 N -1.54 4.34 0.61 0.90 1.01 -1.25 -0.61 121.20 124.66 1qhk s ILE 19 Ca -0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 1qhk s ILE 19 Cb -0.04 -2.93 0.12 0.00 0.01 0.00 0.00 42.46 39.62 1qhk s ILE 19 CO 0.03 0.48 0.84 -1.22 0.00 0.00 0.00 174.94 175.07 1qhk n TYR 20 N 3.51 -3.00 -2.71 3.97 4.01 0.19 -4.73 117.16 118.40 1qhk n TYR 20 Ca -0.17 -1.48 -0.07 0.00 -0.16 0.00 0.00 57.90 56.02 1qhk n TYR 20 Cb 0.52 -0.61 0.09 0.00 -0.31 0.00 0.00 39.34 39.04 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 -2.92 -2.03 -3.76 7.72 5.15 -1.10 -1.33 115.26 116.99 1qhk n ASN 21 Ca 0.14 -3.08 -0.08 0.00 -0.60 0.00 0.00 54.58 50.96 1qhk n ASN 21 Cb 0.50 1.59 -0.02 0.00 -0.53 0.00 0.00 39.78 41.31 1qhk n ASN 21 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1qhk s THR 22 N 0.21 0.00 -0.07 -0.44 2.01 0.43 -4.61 115.64 113.17 1qhk s THR 22 Ca 0.21 -0.77 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 1qhk s THR 22 Cb 0.30 -1.77 -0.27 0.00 0.01 0.00 0.00 72.50 70.77 1qhk s THR 22 CO -0.08 -0.00 0.91 -0.25 -0.69 0.00 0.00 174.62 174.51 1qhk h TRP 23 N 2.00 0.28 0.69 4.92 -0.00 -1.82 -1.82 115.95 120.20 1qhk h TRP 23 Ca -0.22 -0.18 -0.03 0.00 -0.00 0.00 0.00 58.89 58.45 1qhk h TRP 23 Cb 1.26 -0.02 0.01 0.00 -0.00 0.00 0.00 29.16 30.41 1qhk h TRP 23 CO 0.38 1.08 -0.33 -0.91 -0.00 0.00 0.00 178.44 178.66 1qhk h ASN 24 N -0.60 -0.79 -1.21 2.65 4.21 -1.96 -2.29 115.58 115.60 1qhk h ASN 24 Ca -0.06 0.01 0.39 0.00 1.21 0.00 0.00 56.30 57.85 1qhk h ASN 24 Cb 1.21 0.20 -0.13 0.00 -1.12 0.00 0.00 38.32 38.49 1qhk h ASN 24 CO 0.07 -0.42 0.76 -0.33 -1.29 0.00 0.00 177.43 176.22 1qhk h GLU 25 N -1.20 0.16 0.00 0.81 4.39 -1.95 0.99 114.58 117.78 1qhk h GLU 25 Ca -0.09 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1qhk h GLU 25 Cb 0.73 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1qhk h GLU 25 CO 0.16 0.11 0.00 0.00 -1.16 0.00 0.00 179.01 178.11 1qhk n LYS 27 N 0.00 -0.07 -0.16 0.00 5.02 -0.90 0.15 118.16 122.21 1qhk n LYS 27 Ca 0.00 1.40 -0.04 0.00 -2.02 0.00 0.00 58.31 57.65 1qhk n LYS 27 Cb 0.00 -2.42 0.05 0.00 -0.02 0.00 0.00 35.03 32.64 1qhk n LYS 27 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1qhk h ASN 28 N 0.00 0.24 0.83 4.39 -0.00 0.94 1.98 115.58 123.96 1qhk h ASN 28 Ca 0.77 0.05 -0.04 0.00 -0.00 0.00 0.00 56.30 57.07 1qhk h ASN 28 Cb 1.93 0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 40.26 1qhk h ASN 28 CO -0.81 0.17 -0.21 0.06 -0.00 0.00 0.00 177.43 176.64 1qhk h GLN 29 N 0.39 0.00 -1.26 6.67 -0.00 0.29 -3.36 115.11 117.84 1qhk h GLN 29 Ca 0.23 0.00 -0.42 0.00 -0.00 0.00 0.00 58.65 58.45 1qhk h GLN 29 Cb 0.20 0.00 -0.29 0.00 -0.00 0.00 0.00 27.48 27.39 1qhk h GLN 29 CO -0.20 0.21 -0.86 1.33 -0.00 0.00 0.00 178.83 179.31 1qhk n VAL 30 N -3.43 -0.45 -3.60 1.86 0.24 0.29 -5.00 118.33 108.23 1qhk n VAL 30 Ca -0.00 -2.95 -0.38 0.00 -2.04 0.00 0.00 64.34 58.96 1qhk n VAL 30 Cb 0.40 -0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 32.13 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 -1.21 5.95 0.00 -1.34 2.15 0.65 -4.37 116.67 118.50 1qhk s ASP 31 Ca 0.34 -3.30 0.00 0.00 0.43 0.00 0.00 52.55 50.02 1qhk s ASP 31 Cb 0.18 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 1qhk s ASP 31 CO -0.16 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.15 1qhk n GLY 32 N 2.95 1.40 3.25 2.66 0.00 -1.26 -5.03 105.19 109.16 1qhk n GLY 32 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 3.64 -1.80 1.61 1.51 -1.26 -4.87 117.35 114.18 1qhk s TYR 33 Ca 0.00 -2.22 0.25 0.00 -1.01 0.00 0.00 57.07 54.09 1qhk s TYR 33 Cb 0.00 -3.61 1.40 0.00 -0.11 0.00 0.00 41.96 39.64 1qhk s TYR 33 CO 0.00 -0.94 1.84 0.41 -1.11 0.00 0.00 175.55 175.75 1qhk n GLY 34 N 3.83 -0.89 0.94 0.71 0.00 -1.26 -3.35 105.19 105.17 1qhk n GLY 34 Ca 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 0.64 0.74 3.82 -0.02 0.00 -1.26 -5.10 105.19 104.00 1qhk n GLY 35 Ca 0.16 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 2.73 -0.00 4.61 0.00 -1.21 -5.00 121.76 122.88 1qhk s ALA 36 Ca 0.14 0.18 -0.27 0.00 0.00 0.00 0.00 51.96 52.01 1qhk s ALA 36 Cb 0.16 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1qhk s ALA 36 CO -0.07 -1.04 0.85 -1.50 0.00 0.00 0.00 175.76 174.00 1qhk s ILE 37 N -2.85 4.87 -0.29 0.00 -1.16 -1.26 -5.01 121.20 115.50 1qhk s ILE 37 Ca 0.60 1.78 -0.24 0.00 -0.51 0.00 0.00 60.65 62.28 1qhk s ILE 37 Cb -0.14 -4.19 0.16 0.00 0.61 0.00 0.00 42.46 38.89 1qhk s ILE 37 CO 0.48 0.24 1.21 -0.72 -2.81 0.00 0.00 174.94 173.34 1qhk s TYR 38 N 0.67 -0.29 -0.78 3.50 -0.85 -1.26 -4.40 117.35 113.94 1qhk s TYR 38 Ca 0.44 0.69 0.01 0.00 -0.52 0.00 0.00 57.07 57.69 1qhk s TYR 38 Cb -0.20 0.39 0.19 0.00 0.38 0.00 0.00 41.96 42.72 1qhk s TYR 38 CO 0.24 -0.14 0.62 0.15 -1.52 0.00 0.00 175.55 174.90 1qhk s LYS 39 N 0.30 2.85 0.56 -3.49 -0.14 0.16 -5.01 119.74 114.97 1qhk s LYS 39 Ca 0.03 -3.22 -0.18 0.00 -1.36 0.00 0.00 55.97 51.24 1qhk s LYS 39 Cb -0.05 -3.71 -0.10 0.00 -1.68 0.00 0.00 37.83 32.30 1qhk s LYS 39 CO -0.11 -1.26 0.42 1.17 -0.76 0.00 0.00 175.35 174.81 1qhk n LYS 40 N 2.32 0.42 -3.60 1.68 3.00 -1.26 -1.16 118.16 119.56 1qhk n LYS 40 Ca 0.19 0.17 -0.10 0.00 -0.00 0.00 0.00 58.31 58.56 1qhk n LYS 40 Cb 0.36 -1.59 -0.03 0.00 0.00 0.00 0.00 35.03 33.77 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 -1.77 -0.32 -0.28 5.64 0.08 -0.04 -4.67 117.98 116.63 1qhk s PHE 41 Ca 0.67 0.03 0.16 0.00 0.12 0.00 0.00 56.93 57.90 1qhk s PHE 41 Cb -0.45 0.49 0.49 0.00 -0.57 0.00 0.00 43.02 42.98 1qhk s PHE 41 CO 0.56 -0.90 1.14 -1.71 -0.10 0.00 0.00 175.22 174.21 1qhk n ASN 42 N -0.36 3.02 0.00 1.36 5.15 -1.26 -0.08 115.26 123.10 1qhk n ASN 42 Ca -0.13 -2.78 0.00 0.00 -0.60 0.00 0.00 54.58 51.07 1qhk n ASN 42 Cb 0.63 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.46 1qhk n ASN 42 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1qhk n SER 43 N -0.63 0.00 -0.40 1.20 7.64 -1.26 -4.87 113.62 115.29 1qhk n SER 43 Ca 0.23 0.00 0.36 0.00 1.01 0.00 0.00 58.87 60.47 1qhk n SER 43 Cb 0.87 0.00 0.55 0.00 -1.01 0.00 0.00 64.21 64.62 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 0.08 1.43 9.36 -1.26 0.24 117.16 127.00 1qhk n TYR 44 Ca 0.00 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.12 1qhk n TYR 44 Cb 0.00 -0.33 -0.00 0.00 -0.63 0.00 0.00 39.34 38.38 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 0.28 0.15 2.98 5.08 -1.97 0.15 114.58 121.25 1qhk h GLU 45 Ca 0.63 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1qhk h GLU 45 Cb 2.98 0.08 0.00 0.00 0.50 0.00 0.00 28.75 32.31 1qhk h GLU 45 CO -0.01 0.98 -0.07 1.96 -1.00 0.00 0.00 179.01 180.87 1qhk h GLN 46 N 0.17 -0.19 -0.40 2.33 4.20 0.27 -0.74 115.11 120.74 1qhk h GLN 46 Ca -0.05 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.76 1qhk h GLN 46 Cb 1.46 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 29.20 1qhk h GLN 46 CO 0.14 0.16 -0.19 0.00 -0.67 0.00 0.00 178.83 178.26 1qhk h ALA 47 N -0.60 0.11 0.05 3.87 0.00 -1.52 -0.33 119.26 120.84 1qhk h ALA 47 Ca -0.02 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1qhk h ALA 47 Cb 0.44 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1qhk h ALA 47 CO 0.03 -0.55 -0.44 0.87 0.00 0.00 0.00 179.25 179.16 1qhk h LYS 48 N -0.12 -0.57 -1.32 0.00 1.57 -1.00 0.39 116.57 115.53 1qhk h LYS 48 Ca 0.20 0.04 0.44 0.00 -1.87 0.00 0.00 60.65 59.45 1qhk h LYS 48 Cb 0.42 0.13 -0.13 0.00 0.08 0.00 0.00 32.23 32.73 1qhk h LYS 48 CO -0.48 -0.38 0.85 1.03 -0.57 0.00 0.00 179.45 179.91 1qhk h SER 49 N -0.59 0.24 0.11 0.86 0.87 0.02 1.69 113.55 116.76 1qhk h SER 49 Ca 0.00 0.14 -0.26 0.00 -1.23 0.00 0.00 61.79 60.44 1qhk h SER 49 Cb 0.61 0.13 0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1qhk h SER 49 CO -0.27 -0.19 -1.03 -0.26 -0.53 0.00 0.00 176.83 174.55 1qhk h PHE 50 N 0.08 0.92 -0.95 2.24 -1.00 0.11 -3.14 116.94 115.20 1qhk h PHE 50 Ca 0.83 -0.51 0.28 0.00 2.81 0.00 0.00 57.97 61.37 1qhk h PHE 50 Cb 2.59 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 42.01 1qhk h PHE 50 CO -0.01 1.34 0.95 -0.07 -1.61 0.00 0.00 178.31 178.92 1qhk h LEU 51 N 0.34 0.00 0.00 1.54 3.38 0.64 -3.51 115.31 117.69 1qhk h LEU 51 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1qhk h LEU 51 Cb 1.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1qhk h LEU 51 CO 0.20 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.34