#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bq6 s LYS 1 N 0.00 0.33 4.10 5.56 2.20 -1.26 -4.87 119.74 125.79 2bq6 s LYS 1 Ca 0.00 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2bq6 s LYS 1 Cb 0.00 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 2bq6 s LYS 1 CO 0.00 -0.07 0.00 1.28 -0.36 0.00 0.00 175.35 176.20 2bq6 n LEU 1 N 1.46 0.00 0.34 5.43 4.77 -1.26 -0.42 117.00 127.31 2bq6 n LEU 1 Ca -0.09 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.07 2bq6 n LEU 1 Cb 0.57 0.00 0.99 0.00 -2.33 0.00 0.00 43.42 42.65 2bq6 n LEU 1 CO 0.06 0.00 1.15 0.00 -1.33 0.00 0.00 177.39 177.27 2bq6 h SER 2 N 0.00 0.00 -3.50 0.00 0.02 -1.12 -3.17 113.55 105.77 2bq6 h SER 2 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 2bq6 h SER 2 Cb 0.38 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.67 2bq6 h SER 2 CO -0.00 0.00 -0.67 -0.22 -1.14 0.00 0.00 176.83 174.80 2bq6 s LEU 3 N -4.91 3.17 -0.90 5.07 2.96 0.23 -4.38 118.68 119.92 2bq6 s LEU 3 Ca 0.05 -0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 53.52 2bq6 s LEU 3 Cb 0.10 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.98 2bq6 s LEU 3 CO 0.48 -0.01 0.28 -0.67 -1.32 0.00 0.00 176.35 175.11 2bq6 n ASP 4 N 4.77 -1.47 -2.20 3.68 2.03 -1.26 0.14 116.55 122.23 2bq6 n ASP 4 Ca -0.17 -0.88 -0.05 0.00 0.52 0.00 0.00 54.79 54.21 2bq6 n ASP 4 Cb 0.51 -1.06 -0.01 0.00 -0.72 0.00 0.00 41.12 39.84 2bq6 n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2bq6 n ASN 5 N -1.39 -2.03 -1.60 1.67 5.15 -1.20 0.86 115.26 116.72 2bq6 n ASN 5 Ca -0.13 0.32 -0.20 0.00 -0.60 0.00 0.00 54.58 53.98 2bq6 n ASN 5 Cb 0.41 -1.88 -0.08 0.00 -0.53 0.00 0.00 39.78 37.70 2bq6 n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bq6 n GLY 6 N -0.52 1.77 2.28 8.20 0.00 0.37 -1.41 105.19 115.87 2bq6 n GLY 6 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 2bq6 n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bq6 n ASP 7 N -1.26 -4.10 -4.86 1.61 2.03 0.25 -4.94 116.55 105.29 2bq6 n ASP 7 Ca -0.20 0.20 -0.32 0.00 0.52 0.00 0.00 54.79 55.00 2bq6 n ASP 7 Cb 0.64 -2.32 -0.05 0.00 -0.72 0.00 0.00 41.12 38.67 2bq6 n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bq6 h ASP 9 N 1.94 0.48 0.00 0.00 5.19 -0.90 -3.47 116.42 119.65 2bq6 h ASP 9 Ca -0.48 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 55.63 2bq6 h ASP 9 Cb 1.18 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.55 2bq6 h ASP 9 CO 0.65 1.04 0.00 0.00 -3.12 0.00 0.00 179.24 177.81 2bq6 n GLN 10 N -3.85 0.00 -1.71 3.56 6.02 -1.26 -4.98 117.38 115.17 2bq6 n GLN 10 Ca -0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.52 2bq6 n GLN 10 Cb 0.69 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.93 2bq6 n GLN 10 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2bq6 n PHE 11 N 0.00 2.58 -4.42 1.08 3.72 -0.43 -4.87 117.46 115.12 2bq6 n PHE 11 Ca 0.00 0.24 -0.20 0.00 -0.05 0.00 0.00 57.45 57.44 2bq6 n PHE 11 Cb 0.00 -2.58 -0.14 0.00 -0.94 0.00 0.00 39.48 35.82 2bq6 n PHE 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bq6 s HIS 13 N -0.68 -1.65 0.98 0.00 -3.43 -0.99 -5.02 115.29 104.51 2bq6 s HIS 13 Ca 0.02 1.44 -0.13 0.00 -0.80 0.00 0.00 55.06 55.59 2bq6 s HIS 13 Cb -0.07 0.46 0.07 0.00 -1.43 0.00 0.00 32.58 31.62 2bq6 s HIS 13 CO 0.01 -0.92 0.45 0.39 -2.00 0.00 0.00 174.74 172.67 2bq6 n GLU 14 N 5.42 -0.61 0.00 -0.38 1.02 -1.26 -3.74 120.64 121.09 2bq6 n GLU 14 Ca 0.01 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 2bq6 n GLU 14 Cb 0.52 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2bq6 n GLU 14 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2bq6 n GLU 15 N -2.19 0.00 -2.35 3.49 0.28 -1.19 -4.95 120.64 113.73 2bq6 n GLU 15 Ca 0.06 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.02 2bq6 n GLU 15 Cb 0.55 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.38 2bq6 n GLU 15 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2bq6 n GLN 16 N 0.00 -3.46 0.00 3.44 0.00 -1.26 -4.25 117.38 111.85 2bq6 n GLN 16 Ca 0.00 2.73 0.00 0.00 -0.00 0.00 0.00 57.00 59.73 2bq6 n GLN 16 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 30.24 26.06 2bq6 n GLN 16 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2bq6 n ASN 17 N 1.22 0.00 0.00 1.69 5.03 -1.26 -4.73 115.26 117.21 2bq6 n ASN 17 Ca -0.29 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.16 2bq6 n ASN 17 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.21 2bq6 n ASN 17 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2bq6 n SER 18 N 0.00 0.00 -4.90 6.41 3.41 -1.26 -5.18 113.62 112.10 2bq6 n SER 18 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 2bq6 n SER 18 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2bq6 n SER 18 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bq6 s VAL 19 N -1.74 5.22 -0.08 -3.33 1.01 -1.26 -3.19 120.40 117.02 2bq6 s VAL 19 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2bq6 s VAL 19 Cb 0.00 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2bq6 s VAL 19 CO 0.00 0.06 -0.02 -0.69 0.00 0.00 0.00 175.10 174.45 2bq6 s VAL 20 N -1.63 0.53 0.09 2.92 1.01 -1.25 -5.02 120.40 117.05 2bq6 s VAL 20 Ca 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 2bq6 s VAL 20 Cb -0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2bq6 s VAL 20 CO 0.25 0.28 0.25 0.00 0.00 0.00 0.00 175.10 175.89 2bq6 s SER 22 N -2.57 -0.17 0.13 0.00 1.04 -0.40 -4.95 113.70 106.78 2bq6 s SER 22 Ca 0.36 -0.51 0.06 0.00 0.48 0.00 0.00 55.95 56.34 2bq6 s SER 22 Cb -0.13 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 2bq6 s SER 22 CO 0.27 -0.93 -0.14 0.00 0.98 0.00 0.00 173.24 173.42 2bq6 s ALA 24 N -2.19 0.41 0.14 0.00 0.00 -1.26 -4.87 121.76 113.99 2bq6 s ALA 24 Ca 0.10 -0.53 -0.31 0.00 0.00 0.00 0.00 51.96 51.23 2bq6 s ALA 24 Cb -0.05 -3.06 -0.08 0.00 0.00 0.00 0.00 23.12 19.93 2bq6 s ALA 24 CO 0.03 -3.40 1.31 1.03 0.00 0.00 0.00 175.76 174.74 2bq6 s ARG 25 N -5.00 4.38 0.00 0.00 0.52 -1.26 -2.55 118.95 115.05 2bq6 s ARG 25 Ca 0.68 2.00 0.00 0.00 -0.52 0.00 0.00 55.73 57.88 2bq6 s ARG 25 Cb -0.17 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.05 2bq6 s ARG 25 CO 0.59 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 176.00 2bq6 n GLY 26 N 2.95 1.95 3.24 -3.53 0.00 -1.26 -4.60 105.19 103.94 2bq6 n GLY 26 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2bq6 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bq6 s TYR 27 N -1.88 1.87 -0.07 1.61 1.51 -1.06 0.80 117.35 120.13 2bq6 s TYR 27 Ca 0.00 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 2bq6 s TYR 27 Cb 0.00 -1.17 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 2bq6 s TYR 27 CO 0.00 0.01 -0.13 0.95 -1.11 0.00 0.00 175.55 175.27 2bq6 s THR 28 N -0.59 3.17 0.14 -0.71 -4.23 0.32 -4.68 115.64 109.05 2bq6 s THR 28 Ca 0.08 -0.67 -0.31 0.00 -1.18 0.00 0.00 61.69 59.60 2bq6 s THR 28 Cb -0.08 -2.26 -0.10 0.00 1.34 0.00 0.00 72.50 71.39 2bq6 s THR 28 CO 0.00 0.58 1.63 -0.22 -0.54 0.00 0.00 174.62 176.07 2bq6 s LEU 29 N -0.55 4.37 0.94 4.79 2.96 -1.26 -0.44 118.68 129.49 2bq6 s LEU 29 Ca 0.08 2.63 -0.12 0.00 -0.22 0.00 0.00 54.13 56.49 2bq6 s LEU 29 Cb -0.12 -3.58 0.16 0.00 0.50 0.00 0.00 46.19 43.15 2bq6 s LEU 29 CO 0.02 -0.88 1.10 0.00 -1.32 0.00 0.00 176.35 175.27 2bq6 s ALA 30 N 1.67 1.32 0.12 5.97 0.00 -0.88 -4.84 121.76 125.12 2bq6 s ALA 30 Ca 0.73 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 2bq6 s ALA 30 Cb -0.44 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 2bq6 s ALA 30 CO 0.32 -2.55 1.49 0.22 0.00 0.00 0.00 175.76 175.24 2bq6 h ASP 31 N -1.69 -1.69 0.00 0.00 1.82 -1.94 0.61 116.42 113.53 2bq6 h ASP 31 Ca -0.52 0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 2bq6 h ASP 31 Cb 1.31 0.70 0.00 0.00 0.68 0.00 0.00 39.33 42.02 2bq6 h ASP 31 CO 0.57 -0.36 0.21 -0.46 -1.61 0.00 0.00 179.24 177.59 2bq6 n ASN 32 N -5.10 0.00 -0.37 2.28 0.23 -1.26 -4.72 115.26 106.32 2bq6 n ASN 32 Ca -0.03 0.25 -0.05 0.00 -0.53 0.00 0.00 54.58 54.22 2bq6 n ASN 32 Cb 0.30 -0.25 -0.02 0.00 -2.08 0.00 0.00 39.78 37.73 2bq6 n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bq6 n GLY 33 N -1.23 0.58 0.09 4.83 0.00 0.21 -4.77 105.19 104.90 2bq6 n GLY 33 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 2bq6 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bq6 n LYS 34 N -0.78 0.03 -1.84 1.61 5.02 -1.26 -4.15 118.16 116.78 2bq6 n LYS 34 Ca -0.05 0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 55.96 2bq6 n LYS 34 Cb 0.42 -0.98 0.09 0.00 -0.02 0.00 0.00 35.03 34.54 2bq6 n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bq6 s ALA 35 N -2.02 2.53 -0.18 7.82 0.00 -1.26 -0.21 121.76 128.42 2bq6 s ALA 35 Ca -0.02 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 2bq6 s ALA 35 Cb 0.00 -2.98 0.05 0.00 0.00 0.00 0.00 23.12 20.20 2bq6 s ALA 35 CO 0.03 -1.75 -0.03 0.00 0.00 0.00 0.00 175.76 174.01 2bq6 s ILE 37 N 1.64 5.12 0.02 0.00 -1.09 0.41 -4.83 121.20 122.46 2bq6 s ILE 37 Ca -0.01 0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 59.10 2bq6 s ILE 37 Cb -0.16 -3.85 -0.08 0.00 -1.58 0.00 0.00 42.46 36.79 2bq6 s ILE 37 CO -0.07 0.21 1.83 -2.84 -1.23 0.00 0.00 174.94 172.84 2bq6 s PRO 38 N 1.41 4.16 -0.03 2.79 0.02 -1.26 0.12 135.00 142.20 2bq6 s PRO 38 Ca 0.25 2.46 -0.09 0.00 0.02 0.00 0.00 61.00 63.64 2bq6 s PRO 38 Cb -0.15 -4.01 -0.05 0.00 0.02 0.00 0.00 34.50 30.31 2bq6 s PRO 38 CO 0.10 -0.89 0.46 1.15 -0.33 0.00 0.00 177.00 177.49 2bq6 h THR 39 N 5.46 0.00 -4.22 0.99 2.02 0.05 -3.46 112.91 113.75 2bq6 h THR 39 Ca -0.46 -0.46 -0.34 0.00 0.77 0.00 0.00 66.41 65.92 2bq6 h THR 39 Cb 1.21 0.00 0.10 0.00 -1.74 0.00 0.00 68.15 67.72 2bq6 h THR 39 CO 0.94 0.00 0.21 0.61 0.37 0.00 0.00 175.52 177.65 2bq6 n GLY 40 N 0.74 -0.37 0.13 2.16 0.00 -1.25 -5.00 105.19 101.61 2bq6 n GLY 40 Ca -0.04 -1.86 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 2bq6 n GLY 40 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2bq6 h PRO 41 N 0.00 0.00 -2.67 1.61 0.11 -1.95 -3.37 132.00 125.73 2bq6 h PRO 41 Ca -0.29 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.21 2bq6 h PRO 41 Cb 0.92 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.62 2bq6 h PRO 41 CO 0.25 0.63 -0.70 0.66 -0.21 0.00 0.00 178.00 178.63 2bq6 n TYR 42 N -3.65 2.21 -1.91 0.65 4.01 -1.26 -5.09 117.16 112.12 2bq6 n TYR 42 Ca -0.01 -4.02 -0.33 0.00 -0.16 0.00 0.00 57.90 53.39 2bq6 n TYR 42 Cb 0.65 -0.41 0.03 0.00 -0.31 0.00 0.00 39.34 39.30 2bq6 n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2bq6 s PRO 43 N -1.35 3.11 0.87 -0.72 0.04 -1.26 -4.99 135.00 130.70 2bq6 s PRO 43 Ca 0.30 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 2bq6 s PRO 43 Cb 0.03 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 32.68 2bq6 s PRO 43 CO -0.14 -0.99 1.10 0.00 0.04 0.00 0.00 177.00 177.01 2bq6 n GLY 45 N -0.70 0.35 3.34 0.00 0.00 -1.26 -4.99 105.19 101.94 2bq6 n GLY 45 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2bq6 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bq6 s LYS 46 N -0.77 3.39 0.53 1.61 -0.14 -1.24 -5.09 119.74 118.03 2bq6 s LYS 46 Ca 0.00 -0.65 -0.20 0.00 -1.36 0.00 0.00 55.97 53.76 2bq6 s LYS 46 Cb 0.00 -2.81 -0.06 0.00 -1.68 0.00 0.00 37.83 33.28 2bq6 s LYS 46 CO 0.00 0.03 1.15 -0.65 -0.76 0.00 0.00 175.35 175.12 2bq6 s GLN 47 N 0.86 3.38 -0.55 1.68 -0.21 -1.26 -4.87 119.66 118.68 2bq6 s GLN 47 Ca -0.03 1.68 -0.05 0.00 0.02 0.00 0.00 55.36 56.98 2bq6 s GLN 47 Cb -0.15 -2.07 -0.05 0.00 1.00 0.00 0.00 33.01 31.74 2bq6 s GLN 47 CO 0.01 -0.84 3.01 0.25 -2.12 0.00 0.00 175.29 175.59 2bq6 n THR 48 N -1.18 3.60 -0.71 -0.19 -2.24 -1.26 -5.14 114.28 107.16 2bq6 n THR 48 Ca 0.11 -2.68 0.00 0.00 -2.27 0.00 0.00 64.05 59.21 2bq6 n THR 48 Cb 0.50 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 2bq6 n THR 48 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68