#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgq h LYS 3 N 0.00 0.39 -0.67 -1.24 1.79 -2.00 -0.69 116.57 114.14 2kgq h LYS 3 Ca 0.00 -0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.59 2kgq h LYS 3 Cb 0.00 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.52 2kgq h LYS 3 CO 0.00 0.26 0.46 0.00 -1.08 0.00 0.00 179.45 179.08 2kgq s LYS 5 N -5.28 4.33 -0.02 0.00 -0.14 -0.27 -0.37 119.74 117.98 2kgq s LYS 5 Ca -0.07 0.56 -0.00 0.00 -1.36 0.00 0.00 55.97 55.09 2kgq s LYS 5 Cb 0.20 -3.41 0.03 0.00 -1.68 0.00 0.00 37.83 32.97 2kgq s LYS 5 CO 0.75 0.20 0.04 0.15 -0.76 0.00 0.00 175.35 175.74 2kgq s LYS 6 N 0.44 -0.03 0.03 1.68 1.02 -0.08 -5.00 119.74 117.80 2kgq s LYS 6 Ca 0.28 0.19 -0.30 0.00 0.02 0.00 0.00 55.97 56.16 2kgq s LYS 6 Cb -0.16 -0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 36.88 2kgq s LYS 6 CO 0.13 -0.16 0.99 0.08 -0.92 0.00 0.00 175.35 175.47 2kgq s VAL 7 N 1.01 4.71 -0.81 3.17 1.01 -1.26 -0.70 120.40 127.54 2kgq s VAL 7 Ca -0.08 2.01 0.02 0.00 0.00 0.00 0.00 61.98 63.92 2kgq s VAL 7 Cb -0.12 -4.29 0.21 0.00 0.00 0.00 0.00 36.38 32.18 2kgq s VAL 7 CO -0.03 0.19 0.70 -1.22 0.00 0.00 0.00 175.10 174.74 2kgq n TYR 8 N 3.64 3.73 -0.60 5.22 4.01 0.18 -4.94 117.16 128.40 2kgq n TYR 8 Ca 0.05 -4.15 -0.29 0.00 -0.16 0.00 0.00 57.90 53.35 2kgq n TYR 8 Cb 0.50 -0.88 0.26 0.00 -0.31 0.00 0.00 39.34 38.90 2kgq n TYR 8 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2kgq s GLU 9 N -1.59 -1.37 -0.02 -0.72 0.41 -1.26 -3.60 118.70 110.55 2kgq s GLU 9 Ca 0.28 0.55 0.00 0.00 -0.41 0.00 0.00 54.97 55.39 2kgq s GLU 9 Cb -0.03 -1.52 0.00 0.00 -1.78 0.00 0.00 34.13 30.79 2kgq s GLU 9 CO -0.12 -3.95 0.00 0.09 -0.49 0.00 0.00 175.26 170.79 2kgq n ASN 10 N -5.03 -3.62 -1.34 -0.19 3.02 -1.26 -4.84 115.26 101.99 2kgq n ASN 10 Ca 0.06 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.63 2kgq n ASN 10 Cb 0.56 -1.14 0.01 0.00 -0.61 0.00 0.00 39.78 38.60 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 -2.79 0.00 -2.95 3.10 4.02 -1.24 -5.07 117.16 112.23 2kgq n TYR 11 Ca -0.00 -0.45 -0.42 0.00 -0.01 0.00 0.00 57.90 57.02 2kgq n TYR 11 Cb 0.11 -0.05 -0.05 0.00 -0.02 0.00 0.00 39.34 39.32 2kgq n TYR 11 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2kgq s PRO 12 N 0.00 3.97 0.02 -0.72 0.05 -1.26 -4.67 135.00 132.39 2kgq s PRO 12 Ca 0.26 0.60 0.02 0.00 0.05 0.00 0.00 61.00 61.93 2kgq s PRO 12 Cb 0.30 -3.72 -0.02 0.00 0.05 0.00 0.00 34.50 31.11 2kgq s PRO 12 CO -0.13 -0.67 -0.07 0.08 0.05 0.00 0.00 177.00 176.26 2kgq s VAL 13 N 2.94 0.53 0.44 -0.36 1.01 -1.26 -4.93 120.40 118.77 2kgq s VAL 13 Ca 0.32 -0.70 0.20 0.00 0.00 0.00 0.00 61.98 61.80 2kgq s VAL 13 Cb -0.14 -0.53 0.39 0.00 0.00 0.00 0.00 36.38 36.10 2kgq s VAL 13 CO 0.12 -0.13 1.87 -1.28 0.00 0.00 0.00 175.10 175.67 2kgq h SER 14 N 5.19 0.34 -0.13 3.32 0.87 -1.96 1.11 113.55 122.30 2kgq h SER 14 Ca -0.32 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.31 2kgq h SER 14 Cb 1.20 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2kgq h SER 14 CO 0.45 0.14 0.11 0.11 -0.53 0.00 0.00 176.83 177.11 2kgq h LYS 15 N 0.34 0.00 0.00 2.24 1.57 -1.99 0.15 116.57 118.89 2kgq h LYS 15 Ca 0.45 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.21 2kgq h LYS 15 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 2kgq h LYS 15 CO -0.15 0.00 -0.12 0.00 -0.57 0.00 0.00 179.45 178.61 2kgq h GLN 17 N 0.00 0.00 -4.21 0.00 3.07 -0.74 -3.26 115.11 109.97 2kgq h GLN 17 Ca -0.00 0.00 -0.75 0.00 0.09 0.00 0.00 58.65 57.99 2kgq h GLN 17 Cb 0.28 0.00 -0.23 0.00 0.08 0.00 0.00 27.48 27.60 2kgq h GLN 17 CO 0.02 0.00 -0.25 -0.51 0.09 0.00 0.00 178.83 178.18 2kgq s LEU 18 N -4.20 5.93 0.35 0.06 1.43 -0.88 -4.90 118.68 116.47 2kgq s LEU 18 Ca -0.01 -1.59 0.06 0.00 -1.03 0.00 0.00 54.13 51.57 2kgq s LEU 18 Cb 0.02 -2.21 0.33 0.00 0.03 0.00 0.00 46.19 44.36 2kgq s LEU 18 CO 0.05 -0.79 1.01 0.00 0.23 0.00 0.00 176.35 176.85 2kgq h ALA 19 N 8.85 1.39 0.08 4.21 0.00 -1.88 0.97 119.26 132.88 2kgq h ALA 19 Ca -0.29 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2kgq h ALA 19 Cb 1.10 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2kgq h ALA 19 CO 0.98 -0.39 -0.68 -0.91 0.00 0.00 0.00 179.25 178.24 2kgq h ASN 20 N 0.00 0.27 -0.77 0.00 2.35 -1.90 -3.22 115.58 112.31 2kgq h ASN 20 Ca 0.00 -0.92 -0.03 0.00 -0.55 0.00 0.00 56.30 54.80 2kgq h ASN 20 Cb 1.14 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 2kgq h ASN 20 CO 0.00 1.31 0.36 1.56 -1.65 0.00 0.00 177.43 179.01 2kgq h GLN 21 N -0.60 1.13 0.47 0.81 1.08 0.69 -1.90 115.11 116.80 2kgq h GLN 21 Ca -0.14 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 2kgq h GLN 21 Cb 1.44 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.64 2kgq h GLN 21 CO 0.06 0.88 -0.45 0.00 -0.95 0.00 0.00 178.83 178.38 2kgq h ASN 23 N -0.93 0.79 0.17 0.00 -1.07 -1.46 0.17 115.58 113.25 2kgq h ASN 23 Ca -0.05 -0.35 -0.01 0.00 0.07 0.00 0.00 56.30 55.96 2kgq h ASN 23 Cb 0.81 -0.21 0.00 0.00 -2.07 0.00 0.00 38.32 36.85 2kgq h ASN 23 CO -0.05 0.95 -0.08 1.88 0.07 0.00 0.00 177.43 180.20 2kgq h TYR 24 N 0.61 -0.21 -0.41 4.14 0.05 -1.27 -1.37 116.97 118.50 2kgq h TYR 24 Ca 0.11 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 2kgq h TYR 24 Cb 0.59 0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 2kgq h TYR 24 CO 0.05 0.10 0.19 -0.44 -1.05 0.00 0.00 178.16 177.01 2kgq h ASP 25 N -0.53 0.55 -0.62 3.88 3.32 0.41 -2.32 116.42 121.12 2kgq h ASP 25 Ca -0.02 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 56.93 2kgq h ASP 25 Cb 0.40 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 2kgq h ASP 25 CO 0.04 0.53 0.36 0.00 -1.72 0.00 0.00 179.24 178.46 2kgq h LYS 27 N 0.70 0.82 -0.22 0.00 1.57 -0.96 2.98 116.57 121.46 2kgq h LYS 27 Ca 0.26 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.82 2kgq h LYS 27 Cb 0.08 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 2kgq h LYS 27 CO -0.13 0.54 -0.55 -0.07 -0.57 0.00 0.00 179.45 178.67 2kgq h LEU 28 N 0.84 0.75 0.00 2.94 3.38 -0.69 -2.84 115.31 119.70 2kgq h LEU 28 Ca 0.39 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kgq h LEU 28 Cb 0.32 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kgq h LEU 28 CO -0.23 1.15 -0.73 0.47 0.09 0.00 0.00 178.44 179.20 2kgq n ASP 29 N -3.97 1.54 -0.77 -0.43 8.00 0.11 -4.66 116.55 116.37 2kgq n ASP 29 Ca -0.04 0.33 0.11 0.00 0.71 0.00 0.00 54.79 55.90 2kgq n ASP 29 Cb 0.62 -0.72 0.31 0.00 -0.02 0.00 0.00 41.12 41.31 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 -4.10 2.02 -1.58 -1.24 4.76 0.89 -4.92 118.16 113.99 2kgq n LYS 30 Ca -0.10 -1.52 -0.17 0.00 -2.87 0.00 0.00 58.31 53.65 2kgq n LYS 30 Cb 0.38 -1.44 -0.07 0.00 -1.84 0.00 0.00 35.03 32.06 2kgq n LYS 30 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2kgq n HIS 31 N 0.76 -0.30 -1.89 2.13 8.25 0.43 -4.87 115.22 119.72 2kgq n HIS 31 Ca 0.17 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.27 2kgq n HIS 31 Cb 0.44 -3.03 0.05 0.00 1.12 0.00 0.00 29.99 28.56 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 -2.46 2.46 0.00 -1.41 0.00 -1.17 -4.81 121.76 114.38 2kgq s ALA 32 Ca 0.00 1.01 -0.22 0.00 0.00 0.00 0.00 51.96 52.76 2kgq s ALA 32 Cb 0.00 -3.47 -0.19 0.00 0.00 0.00 0.00 23.12 19.47 2kgq s ALA 32 CO 0.00 -1.32 1.20 0.00 0.00 0.00 0.00 175.76 175.64 2kgq h ARG 33 N 0.66 0.30 0.00 0.00 3.08 -1.89 -3.34 114.38 113.20 2kgq h ARG 33 Ca -0.50 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.32 2kgq h ARG 33 Cb 1.30 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2kgq h ARG 33 CO 0.54 0.86 0.00 0.45 -1.07 0.00 0.00 179.97 180.75 2kgq n SER 34 N -4.49 0.44 -1.07 7.04 2.88 -1.26 -4.97 113.62 112.20 2kgq n SER 34 Ca -0.08 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.57 2kgq n SER 34 Cb 0.46 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.08 0.00 3.33 0.46 0.00 -1.26 -3.86 105.19 103.94 2kgq n GLY 35 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.97 -0.07 1.61 8.01 -0.97 -2.46 118.70 127.78 2kgq s GLU 36 Ca 0.00 -0.78 -0.01 0.00 0.01 0.00 0.00 54.97 54.19 2kgq s GLU 36 Cb 0.00 -2.41 -0.03 0.00 -4.31 0.00 0.00 34.13 27.38 2kgq s GLU 36 CO 0.00 0.32 0.00 0.00 0.01 0.00 0.00 175.26 175.59 2kgq s PHE 38 N -0.91 1.74 -0.23 0.00 0.40 -0.87 -4.93 117.98 113.18 2kgq s PHE 38 Ca 0.14 -0.62 -0.14 0.00 -0.60 0.00 0.00 56.93 55.71 2kgq s PHE 38 Cb -0.11 -0.86 -0.04 0.00 0.51 0.00 0.00 43.02 42.51 2kgq s PHE 38 CO 0.03 0.32 0.31 0.71 0.70 0.00 0.00 175.22 177.29 2kgq s TYR 39 N -3.01 3.32 0.44 0.36 1.51 -1.26 -1.30 117.35 117.41 2kgq s TYR 39 Ca 0.24 0.43 0.03 0.00 -1.01 0.00 0.00 57.07 56.76 2kgq s TYR 39 Cb 0.01 -2.46 0.08 0.00 -0.11 0.00 0.00 41.96 39.48 2kgq s TYR 39 CO 0.08 -0.05 0.61 -0.25 -1.11 0.00 0.00 175.55 174.83 2kgq n ASP 40 N 4.65 1.14 0.23 2.29 9.92 -0.98 -4.94 116.55 128.87 2kgq n ASP 40 Ca -0.11 -1.89 0.06 0.00 -0.53 0.00 0.00 54.79 52.33 2kgq n ASP 40 Cb 0.51 -0.37 0.54 0.00 -0.64 0.00 0.00 41.12 41.17 2kgq n ASP 40 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2kgq h GLU 41 N 0.00 0.00 0.00 -1.24 4.39 -1.98 -0.41 114.58 115.34 2kgq h GLU 41 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2kgq h GLU 41 Cb 0.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2kgq h GLU 41 CO 0.25 0.17 0.00 1.63 -1.16 0.00 0.00 179.01 179.90 2kgq n LYS 42 N -4.23 0.84 -1.47 2.33 5.02 -1.26 -4.82 118.16 114.57 2kgq n LYS 42 Ca -0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.10 2kgq n LYS 42 Cb 0.24 -1.24 -0.07 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.74 -1.43 -3.84 1.97 5.12 -0.16 -4.96 116.66 112.63 2kgq n ARG 43 Ca 0.10 1.07 -0.29 0.00 -1.93 0.00 0.00 57.85 56.79 2kgq n ARG 43 Cb 0.04 -5.40 -0.04 0.00 -1.16 0.00 0.00 32.46 25.91 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 -2.67 6.39 -0.55 0.55 2.47 -1.26 -4.84 114.94 115.03 2kgq s ASN 44 Ca 0.00 0.34 -0.22 0.00 0.42 0.00 0.00 52.86 53.39 2kgq s ASN 44 Cb 0.00 -1.98 0.05 0.00 -1.45 0.00 0.00 41.25 37.87 2kgq s ASN 44 CO 0.00 0.08 0.84 -0.76 -3.72 0.00 0.00 177.10 173.54 2kgq s LEU 45 N -2.83 4.42 -0.15 3.21 1.43 -1.26 -2.31 118.68 121.20 2kgq s LEU 45 Ca 0.37 -0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 52.64 2kgq s LEU 45 Cb -0.12 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 2kgq s LEU 45 CO 0.28 -1.14 0.69 -1.10 0.23 0.00 0.00 176.35 175.31 2kgq s GLN 46 N 3.52 4.31 -0.51 1.70 -1.52 -0.42 -4.17 119.66 122.56 2kgq s GLN 46 Ca 0.24 0.79 -0.26 0.00 -1.95 0.00 0.00 55.36 54.18 2kgq s GLN 46 Cb -0.15 -3.53 0.03 0.00 -0.22 0.00 0.00 33.01 29.14 2kgq s GLN 46 CO 0.16 -0.15 1.03 0.00 -0.25 0.00 0.00 175.29 176.07 2kgq s ILE 48 N 4.20 4.43 0.09 0.00 1.01 0.33 -0.64 121.20 130.61 2kgq s ILE 48 Ca 0.39 -1.37 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 2kgq s ILE 48 Cb -0.09 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.60 2kgq s ILE 48 CO 0.26 -0.55 1.07 0.00 0.00 0.00 0.00 174.94 175.72 2kgq s ASP 50 N 0.47 4.97 -0.43 0.00 1.47 -1.26 -0.90 116.67 120.99 2kgq s ASP 50 Ca 0.52 -0.09 -0.02 0.00 1.18 0.00 0.00 52.55 54.14 2kgq s ASP 50 Cb -0.26 -1.23 0.12 0.00 -0.34 0.00 0.00 42.92 41.20 2kgq s ASP 50 CO 0.31 0.25 0.22 -0.31 0.68 0.00 0.00 175.17 176.32 2kgq s TYR 51 N -1.12 3.57 0.00 2.11 1.51 0.50 -3.04 117.35 120.88 2kgq s TYR 51 Ca 0.21 -2.49 0.00 0.00 -1.01 0.00 0.00 57.07 53.77 2kgq s TYR 51 Cb -0.11 -3.20 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 2kgq s TYR 51 CO 0.12 -0.95 0.00 0.00 -1.11 0.00 0.00 175.55 173.60 2kgq s GLU 53 N 0.00 4.56 0.00 0.00 8.01 -1.26 -5.07 118.70 124.94 2kgq s GLU 53 Ca 0.00 1.49 0.00 0.00 0.01 0.00 0.00 54.97 56.47 2kgq s GLU 53 Cb 0.00 -3.42 0.00 0.00 -4.31 0.00 0.00 34.13 26.40 2kgq s GLU 53 CO 0.00 -0.04 0.00 2.48 0.01 0.00 0.00 175.26 177.71