#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgq s LYS 3 N 0.00 4.67 -0.55 -1.24 -2.85 -1.26 -2.84 119.74 115.67 2kgq s LYS 3 Ca 0.00 1.74 0.00 0.00 -1.00 0.00 0.00 55.97 56.71 2kgq s LYS 3 Cb 0.00 -3.19 0.00 0.00 -2.06 0.00 0.00 37.83 32.58 2kgq s LYS 3 CO 0.00 0.26 0.00 0.00 0.10 0.00 0.00 175.35 175.71 2kgq s LYS 5 N -1.98 0.83 -0.19 0.00 -0.14 -1.13 -0.12 119.74 117.02 2kgq s LYS 5 Ca 0.00 -0.44 -0.08 0.00 -1.36 0.00 0.00 55.97 54.09 2kgq s LYS 5 Cb 0.00 -0.80 0.08 0.00 -1.68 0.00 0.00 37.83 35.42 2kgq s LYS 5 CO 0.00 0.22 0.42 0.15 -0.76 0.00 0.00 175.35 175.38 2kgq s LYS 6 N -0.43 0.36 0.17 1.68 1.02 -0.31 -4.27 119.74 117.96 2kgq s LYS 6 Ca 0.03 0.95 -0.24 0.00 0.02 0.00 0.00 55.97 56.72 2kgq s LYS 6 Cb -0.05 0.19 -0.08 0.00 -0.52 0.00 0.00 37.83 37.37 2kgq s LYS 6 CO -0.00 -0.21 0.77 0.54 -0.92 0.00 0.00 175.35 175.52 2kgq s VAL 7 N 2.13 4.40 -0.54 3.17 0.11 -1.26 -0.46 120.40 127.96 2kgq s VAL 7 Ca -0.05 1.64 0.02 0.00 -2.93 0.00 0.00 61.98 60.66 2kgq s VAL 7 Cb -0.10 -4.09 0.14 0.00 -1.53 0.00 0.00 36.38 30.79 2kgq s VAL 7 CO -0.13 0.47 0.29 -0.31 -3.33 0.00 0.00 175.10 172.10 2kgq s TYR 8 N -1.21 3.25 0.82 1.54 1.51 -0.29 -4.95 117.35 118.02 2kgq s TYR 8 Ca 0.37 -3.07 -0.11 0.00 -1.01 0.00 0.00 57.07 53.24 2kgq s TYR 8 Cb -0.22 -2.91 0.08 0.00 -0.11 0.00 0.00 41.96 38.80 2kgq s TYR 8 CO 0.25 -0.77 1.09 -1.21 -1.11 0.00 0.00 175.55 173.80 2kgq s GLU 9 N -0.21 1.92 0.00 -0.62 8.01 -1.26 -3.31 118.70 123.23 2kgq s GLU 9 Ca 0.17 0.89 0.00 0.00 0.01 0.00 0.00 54.97 56.03 2kgq s GLU 9 Cb -0.24 -1.88 0.00 0.00 -4.31 0.00 0.00 34.13 27.70 2kgq s GLU 9 CO -0.01 -1.80 0.00 0.09 0.01 0.00 0.00 175.26 173.55 2kgq n ASN 10 N -3.59 -1.11 -0.00 -0.19 3.02 -1.26 -4.79 115.26 107.33 2kgq n ASN 10 Ca 0.08 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.66 2kgq n ASN 10 Cb 0.55 -0.90 -0.05 0.00 -0.61 0.00 0.00 39.78 38.77 2kgq n ASN 10 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2kgq n TYR 11 N -2.21 0.00 -1.57 3.10 4.02 -1.21 -5.01 117.16 114.28 2kgq n TYR 11 Ca 0.00 0.00 -0.58 0.00 -0.01 0.00 0.00 57.90 57.31 2kgq n TYR 11 Cb 0.04 -0.14 -0.08 0.00 -0.02 0.00 0.00 39.34 39.14 2kgq n TYR 11 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2kgq n PRO 12 N -1.71 0.80 -4.22 -0.72 -0.02 -1.26 -4.93 135.00 122.94 2kgq n PRO 12 Ca -0.01 0.27 -0.17 0.00 -2.02 0.00 0.00 63.50 61.57 2kgq n PRO 12 Cb 0.16 -2.01 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 2kgq n PRO 12 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kgq s VAL 13 N 4.82 0.73 0.31 -1.45 1.01 -1.26 -4.88 120.40 119.67 2kgq s VAL 13 Ca 1.06 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 62.35 2kgq s VAL 13 Cb -1.15 -0.68 0.31 0.00 0.00 0.00 0.00 36.38 34.86 2kgq s VAL 13 CO 0.64 -0.06 1.75 -1.28 0.00 0.00 0.00 175.10 176.15 2kgq h SER 14 N 5.17 0.72 -0.33 3.32 0.87 -1.96 1.15 113.55 122.49 2kgq h SER 14 Ca -0.34 0.12 0.10 0.00 -1.23 0.00 0.00 61.79 60.43 2kgq h SER 14 Cb 1.19 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2kgq h SER 14 CO 0.45 0.19 0.32 0.07 -0.53 0.00 0.00 176.83 177.33 2kgq h LYS 15 N 0.66 0.00 0.00 2.24 2.10 -1.98 0.50 116.57 120.10 2kgq h LYS 15 Ca 0.61 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.23 2kgq h LYS 15 Cb 1.08 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2kgq h LYS 15 CO -0.43 0.00 -0.14 0.00 -2.00 0.00 0.00 179.45 176.88 2kgq h GLN 17 N 0.00 0.00 -4.29 0.00 3.07 -0.05 -3.27 115.11 110.58 2kgq h GLN 17 Ca -0.00 0.00 -0.74 0.00 0.09 0.00 0.00 58.65 58.00 2kgq h GLN 17 Cb 0.38 0.00 -0.23 0.00 0.08 0.00 0.00 27.48 27.71 2kgq h GLN 17 CO 0.02 0.00 -0.32 -0.51 0.09 0.00 0.00 178.83 178.10 2kgq s LEU 18 N -4.23 5.67 0.58 0.06 1.43 -0.97 -4.91 118.68 116.30 2kgq s LEU 18 Ca -0.01 -1.40 0.12 0.00 -1.03 0.00 0.00 54.13 51.82 2kgq s LEU 18 Cb 0.02 -2.18 0.66 0.00 0.03 0.00 0.00 46.19 44.72 2kgq s LEU 18 CO 0.05 -0.67 1.33 0.00 0.23 0.00 0.00 176.35 177.29 2kgq h ALA 19 N 8.75 1.60 0.00 4.21 0.00 -1.89 0.55 119.26 132.49 2kgq h ALA 19 Ca -0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kgq h ALA 19 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kgq h ALA 19 CO 0.89 -0.60 -0.00 -0.91 0.00 0.00 0.00 179.25 178.63 2kgq h ASN 20 N 0.00 -0.00 -0.86 0.00 2.35 -1.91 -3.24 115.58 111.92 2kgq h ASN 20 Ca 0.00 -0.89 0.01 0.00 -0.55 0.00 0.00 56.30 54.87 2kgq h ASN 20 Cb 1.30 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.62 2kgq h ASN 20 CO 0.00 0.89 0.57 1.56 -1.65 0.00 0.00 177.43 178.80 2kgq h GLN 21 N -0.90 1.12 0.15 0.81 1.08 -0.21 -1.86 115.11 115.30 2kgq h GLN 21 Ca -0.00 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2kgq h GLN 21 Cb 0.89 -0.25 -0.04 0.00 -0.05 0.00 0.00 27.48 28.03 2kgq h GLN 21 CO 0.00 0.74 -0.45 0.00 -0.95 0.00 0.00 178.83 178.18 2kgq h ASN 23 N -0.67 0.63 0.38 0.00 -1.07 -1.53 0.74 115.58 114.06 2kgq h ASN 23 Ca -0.01 -0.41 -0.02 0.00 0.07 0.00 0.00 56.30 55.93 2kgq h ASN 23 Cb 0.66 -0.17 0.00 0.00 -2.07 0.00 0.00 38.32 36.74 2kgq h ASN 23 CO -0.22 0.90 -0.18 1.88 0.07 0.00 0.00 177.43 179.88 2kgq h TYR 24 N 0.36 -0.48 -0.47 4.14 0.05 -1.24 0.22 116.97 119.55 2kgq h TYR 24 Ca 0.06 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 2kgq h TYR 24 Cb 0.66 0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.54 2kgq h TYR 24 CO 0.06 -0.23 0.21 -0.44 -1.05 0.00 0.00 178.16 176.71 2kgq h ASP 25 N -0.63 0.63 -0.69 3.88 3.32 0.57 -2.32 116.42 121.18 2kgq h ASP 25 Ca -0.05 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 56.88 2kgq h ASP 25 Cb 0.46 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 2kgq h ASP 25 CO 0.09 0.60 0.43 0.00 -1.72 0.00 0.00 179.24 178.63 2kgq h LYS 27 N 0.85 0.77 -0.24 0.00 1.57 -0.64 3.81 116.57 122.68 2kgq h LYS 27 Ca 0.28 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.91 2kgq h LYS 27 Cb 0.02 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 2kgq h LYS 27 CO -0.11 0.51 -0.25 -0.07 -0.57 0.00 0.00 179.45 178.97 2kgq h LEU 28 N 0.79 0.63 0.00 2.94 3.38 -0.75 -2.90 115.31 119.40 2kgq h LEU 28 Ca 0.35 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2kgq h LEU 28 Cb 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2kgq h LEU 28 CO -0.20 0.98 -1.22 0.47 0.09 0.00 0.00 178.44 178.56 2kgq n ASP 29 N -4.35 1.92 -0.19 -0.43 8.00 0.94 -4.60 116.55 117.84 2kgq n ASP 29 Ca -0.05 0.37 0.14 0.00 0.71 0.00 0.00 54.79 55.97 2kgq n ASP 29 Cb 0.44 -0.78 0.58 0.00 -0.02 0.00 0.00 41.12 41.35 2kgq n ASP 29 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2kgq n LYS 30 N -4.44 0.89 -1.51 -1.24 5.02 1.06 -4.91 118.16 113.03 2kgq n LYS 30 Ca -0.21 -0.37 -0.18 0.00 -2.02 0.00 0.00 58.31 55.53 2kgq n LYS 30 Cb 0.56 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 34.00 2kgq n LYS 30 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2kgq n HIS 31 N -0.73 -0.09 -1.39 2.13 8.25 0.90 -4.86 115.22 119.43 2kgq n HIS 31 Ca 0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.29 2kgq n HIS 31 Cb 0.29 -3.18 0.09 0.00 1.12 0.00 0.00 29.99 28.31 2kgq n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kgq s ALA 32 N -2.51 2.14 -0.04 -1.41 0.00 -1.13 -4.82 121.76 114.00 2kgq s ALA 32 Ca 0.00 0.65 -0.14 0.00 0.00 0.00 0.00 51.96 52.47 2kgq s ALA 32 Cb 0.00 -3.39 -0.32 0.00 0.00 0.00 0.00 23.12 19.41 2kgq s ALA 32 CO 0.00 -1.82 0.75 0.00 0.00 0.00 0.00 175.76 174.70 2kgq h ARG 33 N -0.55 0.40 0.00 0.00 3.08 -1.87 -3.35 114.38 112.10 2kgq h ARG 33 Ca -0.46 -0.69 0.00 0.00 0.07 0.00 0.00 59.98 58.90 2kgq h ARG 33 Cb 1.27 0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.58 2kgq h ARG 33 CO 0.50 1.33 0.00 0.45 -1.07 0.00 0.00 179.97 181.18 2kgq n SER 34 N -3.73 0.29 -1.70 7.04 2.88 -1.25 -5.00 113.62 112.15 2kgq n SER 34 Ca -0.22 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 2kgq n SER 34 Cb 1.04 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 64.71 2kgq n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kgq n GLY 35 N 0.22 0.00 3.37 0.46 0.00 -1.26 -4.15 105.19 103.83 2kgq n GLY 35 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2kgq n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kgq s GLU 36 N 0.00 3.46 -0.09 1.61 0.41 -0.68 -3.28 118.70 120.12 2kgq s GLU 36 Ca 0.00 -0.61 -0.02 0.00 -0.41 0.00 0.00 54.97 53.93 2kgq s GLU 36 Cb 0.00 -2.92 -0.03 0.00 -1.78 0.00 0.00 34.13 29.39 2kgq s GLU 36 CO 0.00 -0.01 0.00 0.00 -0.49 0.00 0.00 175.26 174.76 2kgq s PHE 38 N -0.74 1.62 -0.11 0.00 0.40 -0.80 -4.93 117.98 113.41 2kgq s PHE 38 Ca 0.12 -0.81 -0.15 0.00 -0.60 0.00 0.00 56.93 55.49 2kgq s PHE 38 Cb -0.12 -0.90 -0.05 0.00 0.51 0.00 0.00 43.02 42.47 2kgq s PHE 38 CO 0.02 0.10 0.37 0.71 0.70 0.00 0.00 175.22 177.12 2kgq s TYR 39 N -3.26 3.53 0.29 0.36 1.51 -1.26 -0.32 117.35 118.20 2kgq s TYR 39 Ca 0.26 0.76 0.04 0.00 -1.01 0.00 0.00 57.07 57.12 2kgq s TYR 39 Cb 0.04 -2.38 0.04 0.00 -0.11 0.00 0.00 41.96 39.55 2kgq s TYR 39 CO 0.08 0.31 0.33 -0.40 -1.11 0.00 0.00 175.55 174.76 2kgq n ASP 40 N 3.21 1.40 0.17 2.29 5.68 -0.82 -4.95 116.55 123.53 2kgq n ASP 40 Ca -0.11 -1.86 0.02 0.00 -0.50 0.00 0.00 54.79 52.34 2kgq n ASP 40 Cb 0.52 -0.14 0.34 0.00 -1.14 0.00 0.00 41.12 40.69 2kgq n ASP 40 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2kgq h GLU 41 N 0.00 0.04 0.00 0.11 4.39 -1.98 -1.87 114.58 115.26 2kgq h GLU 41 Ca -0.15 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2kgq h GLU 41 Cb 0.64 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2kgq h GLU 41 CO 0.23 0.41 0.00 1.63 -1.16 0.00 0.00 179.01 180.12 2kgq n LYS 42 N -4.09 0.99 -1.39 2.33 5.02 -1.26 -4.82 118.16 114.94 2kgq n LYS 42 Ca -0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 2kgq n LYS 42 Cb 0.42 -1.02 -0.06 0.00 -0.02 0.00 0.00 35.03 34.35 2kgq n LYS 42 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kgq n ARG 43 N -0.52 -1.50 -3.65 1.97 5.12 -0.70 -4.96 116.66 112.43 2kgq n ARG 43 Ca 0.01 0.96 -0.31 0.00 -1.93 0.00 0.00 57.85 56.58 2kgq n ARG 43 Cb 0.00 -5.30 -0.05 0.00 -1.16 0.00 0.00 32.46 25.96 2kgq n ARG 43 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2kgq s ASN 44 N -2.56 6.49 -0.59 0.55 2.47 -1.26 -4.82 114.94 115.22 2kgq s ASN 44 Ca 0.00 0.60 -0.24 0.00 0.42 0.00 0.00 52.86 53.64 2kgq s ASN 44 Cb 0.00 -2.09 0.05 0.00 -1.45 0.00 0.00 41.25 37.75 2kgq s ASN 44 CO 0.00 0.03 0.99 -0.76 -3.72 0.00 0.00 177.10 173.63 2kgq s LEU 45 N -2.75 4.06 -0.39 3.21 1.43 -1.26 -1.95 118.68 121.03 2kgq s LEU 45 Ca 0.41 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 2kgq s LEU 45 Cb -0.12 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.39 2kgq s LEU 45 CO 0.25 -1.34 1.17 -1.10 0.23 0.00 0.00 176.35 175.56 2kgq s GLN 46 N 4.16 3.85 -0.62 1.70 -1.52 0.57 -4.15 119.66 123.65 2kgq s GLN 46 Ca 0.29 0.87 -0.28 0.00 -1.95 0.00 0.00 55.36 54.30 2kgq s GLN 46 Cb -0.13 -3.86 0.02 0.00 -0.22 0.00 0.00 33.01 28.83 2kgq s GLN 46 CO 0.17 -1.20 1.31 0.00 -0.25 0.00 0.00 175.29 175.31 2kgq s ILE 48 N 5.64 4.53 0.06 0.00 1.01 1.00 -1.13 121.20 132.31 2kgq s ILE 48 Ca 0.44 -1.55 -0.31 0.00 0.00 0.00 0.00 60.65 59.24 2kgq s ILE 48 Cb -0.09 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 2kgq s ILE 48 CO 0.22 -0.70 1.38 0.00 0.00 0.00 0.00 174.94 175.84 2kgq s ASP 50 N 1.46 4.47 -0.54 0.00 1.47 -1.26 -1.16 116.67 121.12 2kgq s ASP 50 Ca 0.64 -0.21 -0.03 0.00 1.18 0.00 0.00 52.55 54.12 2kgq s ASP 50 Cb -0.34 -0.98 0.14 0.00 -0.34 0.00 0.00 42.92 41.40 2kgq s ASP 50 CO 0.29 0.27 0.35 -0.31 0.68 0.00 0.00 175.17 176.44 2kgq s TYR 51 N -1.01 3.48 0.00 2.11 1.51 0.83 -2.71 117.35 121.56 2kgq s TYR 51 Ca 0.17 -2.56 0.00 0.00 -1.01 0.00 0.00 57.07 53.67 2kgq s TYR 51 Cb -0.11 -3.23 0.00 0.00 -0.11 0.00 0.00 41.96 38.51 2kgq s TYR 51 CO 0.08 -0.90 0.00 0.00 -1.11 0.00 0.00 175.55 173.62 2kgq s GLU 53 N 0.00 3.87 0.00 0.00 0.41 -1.26 -5.07 118.70 116.65 2kgq s GLU 53 Ca 0.00 1.25 0.15 0.00 -0.41 0.00 0.00 54.97 55.96 2kgq s GLU 53 Cb 0.00 -3.91 0.87 0.00 -1.78 0.00 0.00 34.13 29.32 2kgq s GLU 53 CO 0.00 -1.18 1.29 0.66 -0.49 0.00 0.00 175.26 175.54