#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqw s LYS -1 N 0.00 1.10 1.25 5.56 2.47 -1.26 -4.50 119.74 124.35 2bqw s LYS -1 Ca 0.00 -1.35 0.00 0.00 -1.56 0.00 0.00 55.97 53.06 2bqw s LYS -1 Cb 0.00 -0.92 0.00 0.00 -1.46 0.00 0.00 37.83 35.45 2bqw s LYS -1 CO 0.00 0.16 0.00 1.28 0.16 0.00 0.00 175.35 176.95 2bqw n LEU 0 N 0.22 0.00 0.31 5.43 4.77 -1.26 -0.19 117.00 126.29 2bqw n LEU 0 Ca -0.13 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 55.98 2bqw n LEU 0 Cb 0.58 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 42.34 2bqw n LEU 0 CO 0.29 0.00 1.11 0.00 -1.33 0.00 0.00 177.39 177.46 2bqw h SER 2 N 0.00 0.00 -3.64 0.00 0.02 -0.94 -3.06 113.55 105.94 2bqw h SER 2 Ca 0.02 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.28 2bqw h SER 2 Cb 0.96 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.27 2bqw h SER 2 CO -0.00 0.00 -0.53 -0.22 -1.14 0.00 0.00 176.83 174.93 2bqw s LEU 3 N -5.60 4.34 -1.36 5.07 2.96 0.33 -4.54 118.68 119.88 2bqw s LEU 3 Ca 0.04 -0.66 -0.05 0.00 -0.22 0.00 0.00 54.13 53.24 2bqw s LEU 3 Cb 0.09 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 44.81 2bqw s LEU 3 CO 0.54 -0.26 0.14 -0.67 -1.32 0.00 0.00 176.35 174.77 2bqw n ASP 4 N 5.00 0.17 -2.43 3.68 2.03 -1.26 -0.37 116.55 123.37 2bqw n ASP 4 Ca -0.13 -1.06 -0.18 0.00 0.52 0.00 0.00 54.79 53.94 2bqw n ASP 4 Cb 0.48 -1.32 -0.01 0.00 -0.72 0.00 0.00 41.12 39.55 2bqw n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2bqw n ASN 5 N -2.23 -5.24 -1.18 1.67 5.15 -1.16 -1.31 115.26 110.97 2bqw n ASN 5 Ca -0.17 0.05 -0.14 0.00 -0.60 0.00 0.00 54.58 53.71 2bqw n ASN 5 Cb 0.52 -4.39 -0.06 0.00 -0.53 0.00 0.00 39.78 35.33 2bqw n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bqw n GLY 6 N -0.95 1.38 2.44 8.20 0.00 0.50 -0.85 105.19 115.90 2bqw n GLY 6 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 2bqw n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bqw n ASP 7 N -1.05 -4.40 -4.79 1.61 2.03 -0.43 -4.94 116.55 104.58 2bqw n ASP 7 Ca -0.14 0.06 -0.36 0.00 0.52 0.00 0.00 54.79 54.87 2bqw n ASP 7 Cb 0.59 -2.13 -0.06 0.00 -0.72 0.00 0.00 41.12 38.79 2bqw n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bqw h ASP 9 N 2.87 0.73 0.00 0.00 5.19 -1.53 -3.47 116.42 120.21 2bqw h ASP 9 Ca -0.47 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 55.72 2bqw h ASP 9 Cb 1.19 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.50 2bqw h ASP 9 CO 0.64 0.88 0.00 0.00 -3.12 0.00 0.00 179.24 177.64 2bqw n GLN 10 N -4.16 0.00 -1.67 3.56 6.02 -1.26 -5.00 117.38 114.88 2bqw n GLN 10 Ca 0.01 0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.53 2bqw n GLN 10 Cb 0.37 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.58 2bqw n GLN 10 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2bqw n PHE 11 N 0.00 2.24 -4.32 1.08 3.72 -0.97 -4.90 117.46 114.31 2bqw n PHE 11 Ca 0.00 0.25 -0.25 0.00 -0.05 0.00 0.00 57.45 57.40 2bqw n PHE 11 Cb 0.00 -2.55 -0.17 0.00 -0.94 0.00 0.00 39.48 35.82 2bqw n PHE 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bqw s HIS 13 N 1.03 0.30 -0.21 0.00 -3.43 -0.78 -4.98 115.29 107.22 2bqw s HIS 13 Ca -0.08 -0.04 -0.24 0.00 -0.80 0.00 0.00 55.06 53.90 2bqw s HIS 13 Cb -0.15 -0.27 -0.01 0.00 -1.43 0.00 0.00 32.58 30.72 2bqw s HIS 13 CO -0.00 -0.05 0.80 -1.21 -2.00 0.00 0.00 174.74 172.27 2bqw s GLU 14 N 0.35 4.23 -0.27 -0.38 2.02 -1.26 -1.75 118.70 121.64 2bqw s GLU 14 Ca -0.03 0.93 -0.02 0.00 0.02 0.00 0.00 54.97 55.87 2bqw s GLU 14 Cb -0.06 -3.61 0.09 0.00 0.10 0.00 0.00 34.13 30.65 2bqw s GLU 14 CO -0.01 -0.40 0.08 -1.83 0.02 0.00 0.00 175.26 173.12 2bqw s GLU 15 N 2.42 0.63 -0.26 1.61 4.04 -0.46 -4.91 118.70 121.77 2bqw s GLU 15 Ca 0.35 -0.80 -0.10 0.00 0.04 0.00 0.00 54.97 54.47 2bqw s GLU 15 Cb -0.16 -1.91 0.01 0.00 0.02 0.00 0.00 34.13 32.10 2bqw s GLU 15 CO 0.10 -0.88 0.36 0.94 -1.84 0.00 0.00 175.26 173.93 2bqw n GLN 16 N 4.96 -1.48 -1.62 -4.83 7.27 -1.26 -3.61 117.38 116.81 2bqw n GLN 16 Ca -0.05 1.51 -0.05 0.00 0.07 0.00 0.00 57.00 58.49 2bqw n GLN 16 Cb 0.44 -4.06 -0.01 0.00 2.41 0.00 0.00 30.24 29.01 2bqw n GLN 16 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqw n ASN 17 N -0.36 -0.44 -3.88 1.69 5.03 -1.26 -4.80 115.26 111.25 2bqw n ASN 17 Ca 0.07 -0.01 -0.11 0.00 0.87 0.00 0.00 54.58 55.40 2bqw n ASN 17 Cb 0.28 -0.42 -0.12 0.00 -1.02 0.00 0.00 39.78 38.50 2bqw n ASN 17 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2bqw s SER 18 N -1.03 0.01 0.44 6.41 0.15 -1.24 -5.05 113.70 113.39 2bqw s SER 18 Ca 0.09 -0.08 -0.19 0.00 0.70 0.00 0.00 55.95 56.47 2bqw s SER 18 Cb -0.05 0.19 -0.10 0.00 -1.71 0.00 0.00 66.02 64.35 2bqw s SER 18 CO 0.11 -0.20 0.94 -0.69 1.20 0.00 0.00 173.24 174.60 2bqw s VAL 19 N -0.74 4.45 -0.21 4.45 1.01 -1.26 -1.35 120.40 126.74 2bqw s VAL 19 Ca -0.08 1.37 -0.04 0.00 0.00 0.00 0.00 61.98 63.23 2bqw s VAL 19 Cb -0.05 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.81 2bqw s VAL 19 CO 0.00 -0.40 0.35 -0.69 0.00 0.00 0.00 175.10 174.36 2bqw s VAL 20 N -2.27 -0.55 0.29 2.92 1.01 -0.72 -4.87 120.40 116.21 2bqw s VAL 20 Ca 0.61 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.56 2bqw s VAL 20 Cb -0.09 -0.70 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 2bqw s VAL 20 CO 0.18 -0.05 0.57 0.00 0.00 0.00 0.00 175.10 175.80 2bqw s SER 22 N -2.96 -0.32 0.13 0.00 1.04 -0.75 -4.95 113.70 105.89 2bqw s SER 22 Ca 0.45 -0.15 0.09 0.00 0.48 0.00 0.00 55.95 56.82 2bqw s SER 22 Cb -0.11 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2bqw s SER 22 CO 0.28 -0.83 -0.23 0.00 0.98 0.00 0.00 173.24 173.45 2bqw s ALA 24 N -1.35 0.69 0.02 0.00 0.00 -1.26 -4.79 121.76 115.07 2bqw s ALA 24 Ca 0.12 0.13 -0.34 0.00 0.00 0.00 0.00 51.96 51.87 2bqw s ALA 24 Cb -0.09 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 2bqw s ALA 24 CO 0.06 -3.10 1.76 0.54 0.00 0.00 0.00 175.76 175.01 2bqw n ARG 25 N -4.43 2.20 0.00 0.00 1.74 -1.26 -1.78 116.66 113.13 2bqw n ARG 25 Ca 0.07 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 2bqw n ARG 25 Cb 0.54 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.36 2bqw n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bqw n GLY 26 N 3.99 0.99 3.30 -0.13 0.00 -1.26 -4.64 105.19 107.44 2bqw n GLY 26 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 2bqw n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bqw s TYR 27 N -2.00 1.60 0.06 1.61 1.51 -0.74 -0.11 117.35 119.28 2bqw s TYR 27 Ca 0.00 -0.57 0.07 0.00 -1.01 0.00 0.00 57.07 55.56 2bqw s TYR 27 Cb 0.00 -0.78 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 2bqw s TYR 27 CO 0.00 0.26 -0.20 0.95 -1.11 0.00 0.00 175.55 175.45 2bqw s THR 28 N -2.58 1.59 0.20 -0.71 -4.23 -0.24 -4.79 115.64 104.88 2bqw s THR 28 Ca 0.17 -1.26 -0.31 0.00 -1.18 0.00 0.00 61.69 59.11 2bqw s THR 28 Cb -0.03 -1.41 -0.10 0.00 1.34 0.00 0.00 72.50 72.31 2bqw s THR 28 CO 0.05 0.11 1.44 -0.22 -0.54 0.00 0.00 174.62 175.46 2bqw s LEU 29 N -1.36 4.38 1.05 4.79 2.96 -1.26 -1.33 118.68 127.92 2bqw s LEU 29 Ca 0.06 2.56 -0.17 0.00 -0.22 0.00 0.00 54.13 56.36 2bqw s LEU 29 Cb -0.09 -3.61 0.23 0.00 0.50 0.00 0.00 46.19 43.22 2bqw s LEU 29 CO 0.02 -0.70 1.20 0.00 -1.32 0.00 0.00 176.35 175.56 2bqw s ALA 30 N 0.47 1.47 0.22 5.97 0.00 -0.17 -4.87 121.76 124.85 2bqw s ALA 30 Ca 0.62 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 51.53 2bqw s ALA 30 Cb -0.41 -2.87 0.30 0.00 0.00 0.00 0.00 23.12 20.15 2bqw s ALA 30 CO 0.37 -2.90 1.79 0.22 0.00 0.00 0.00 175.76 175.24 2bqw h ASP 31 N -2.01 0.48 0.00 0.00 1.82 -1.94 -0.32 116.42 114.45 2bqw h ASP 31 Ca -0.46 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.23 2bqw h ASP 31 Cb 1.28 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.25 2bqw h ASP 31 CO 0.40 0.29 0.00 -0.46 -1.61 0.00 0.00 179.24 177.86 2bqw n ASN 32 N -4.84 0.00 -2.05 2.28 0.23 -1.26 -4.80 115.26 104.82 2bqw n ASN 32 Ca 0.10 -1.07 -0.15 0.00 -0.53 0.00 0.00 54.58 52.94 2bqw n ASN 32 Cb 0.24 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.91 2bqw n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bqw n GLY 33 N 0.13 0.22 1.50 4.83 0.00 -0.13 -4.73 105.19 107.01 2bqw n GLY 33 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2bqw n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bqw n LYS 34 N -2.52 0.00 -1.83 1.61 5.02 -1.26 -4.17 118.16 115.00 2bqw n LYS 34 Ca -0.16 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.83 2bqw n LYS 34 Cb 0.57 -0.25 0.07 0.00 -0.02 0.00 0.00 35.03 35.40 2bqw n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bqw s ALA 35 N -2.00 2.67 -0.14 7.82 0.00 -1.26 -1.33 121.76 127.52 2bqw s ALA 35 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.52 2bqw s ALA 35 Cb 0.00 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.13 2bqw s ALA 35 CO 0.00 -1.47 -0.16 0.00 0.00 0.00 0.00 175.76 174.13 2bqw s ILE 37 N 1.31 4.94 0.37 0.00 -1.09 -0.44 -4.89 121.20 121.39 2bqw s ILE 37 Ca 0.02 0.03 -0.28 0.00 -2.23 0.00 0.00 60.65 58.18 2bqw s ILE 37 Cb -0.13 -3.27 -0.11 0.00 -1.58 0.00 0.00 42.46 37.36 2bqw s ILE 37 CO -0.08 0.40 1.47 -2.65 -1.23 0.00 0.00 174.94 172.84 2bqw n PRO 38 N 4.05 2.61 -0.03 2.79 -0.02 -1.26 -1.08 135.00 142.06 2bqw n PRO 38 Ca -0.16 0.92 -0.20 0.00 -2.02 0.00 0.00 63.50 62.04 2bqw n PRO 38 Cb 0.52 -2.63 -0.13 0.00 -0.02 0.00 0.00 33.50 31.23 2bqw n PRO 38 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2bqw h THR 39 N 2.93 1.25 -3.66 3.45 2.02 -0.85 -3.46 112.91 114.58 2bqw h THR 39 Ca -0.50 -2.35 -0.22 0.00 0.77 0.00 0.00 66.41 64.11 2bqw h THR 39 Cb 1.25 2.82 -0.05 0.00 -1.74 0.00 0.00 68.15 70.42 2bqw h THR 39 CO 0.65 0.59 -0.19 0.61 0.37 0.00 0.00 175.52 177.55 2bqw n GLY 40 N 1.63 3.73 3.78 2.16 0.00 -1.26 -5.10 105.19 110.12 2bqw n GLY 40 Ca -0.22 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 2bqw n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bqw s PRO 41 N -2.62 3.21 -1.09 1.61 0.04 -1.26 -3.99 135.00 130.90 2bqw s PRO 41 Ca 0.10 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.57 2bqw s PRO 41 Cb 0.00 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2bqw s PRO 41 CO 0.07 -0.94 0.90 0.66 0.04 0.00 0.00 177.00 177.72 2bqw n TYR 42 N -1.66 -2.33 -2.46 0.56 4.01 -1.26 -4.97 117.16 109.05 2bqw n TYR 42 Ca 0.11 0.80 -0.38 0.00 -0.16 0.00 0.00 57.90 58.27 2bqw n TYR 42 Cb 0.51 -4.12 -0.03 0.00 -0.31 0.00 0.00 39.34 35.39 2bqw n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2bqw s PRO 43 N -4.79 4.20 0.57 -0.72 0.04 -1.26 -4.97 135.00 128.07 2bqw s PRO 43 Ca 0.40 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.91 2bqw s PRO 43 Cb -0.07 -2.69 -0.07 0.00 0.04 0.00 0.00 34.50 31.71 2bqw s PRO 43 CO 0.76 -0.14 0.79 0.00 0.04 0.00 0.00 177.00 178.45 2bqw n GLY 45 N 1.48 0.57 3.20 0.00 0.00 -1.26 -5.03 105.19 104.14 2bqw n GLY 45 Ca 0.12 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 2bqw n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bqw s LYS 46 N -1.42 2.69 0.16 1.61 -0.14 -1.21 -5.11 119.74 116.32 2bqw s LYS 46 Ca 0.00 -0.82 -0.30 0.00 -1.36 0.00 0.00 55.97 53.49 2bqw s LYS 46 Cb 0.00 -2.12 -0.07 0.00 -1.68 0.00 0.00 37.83 33.96 2bqw s LYS 46 CO 0.00 0.22 1.06 -0.65 -0.76 0.00 0.00 175.35 175.22 2bqw s GLN 47 N 0.23 4.63 -0.06 1.68 -0.21 -1.26 -4.92 119.66 119.75 2bqw s GLN 47 Ca -0.14 1.64 -0.00 0.00 0.02 0.00 0.00 55.36 56.88 2bqw s GLN 47 Cb -0.16 -3.31 0.04 0.00 1.00 0.00 0.00 33.01 30.58 2bqw s GLN 47 CO 0.07 0.12 1.85 0.25 -2.12 0.00 0.00 175.29 175.46 2bqw n THR 48 N 2.51 1.99 0.43 -0.19 -2.24 -1.26 -5.17 114.28 110.35 2bqw n THR 48 Ca 0.03 -0.62 0.03 0.00 -2.27 0.00 0.00 64.05 61.22 2bqw n THR 48 Cb 0.47 -1.39 0.21 0.00 -2.10 0.00 0.00 70.33 67.52 2bqw n THR 48 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68