#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 4.09 0.58 0.11 1.02 -1.26 -4.95 119.74 119.33 2kgq s LYS 3 Ca 0.00 0.69 0.27 0.00 0.02 0.00 0.00 55.97 56.95 2kgq s LYS 3 Cb 0.00 -2.76 1.59 0.00 -0.52 0.00 0.00 37.83 36.14 2kgq s LYS 3 CO 0.00 0.35 2.09 0.00 -0.92 0.00 0.00 175.35 176.87 2kgq s LYS 5 N -4.72 4.29 -0.01 0.00 -0.14 -1.26 0.02 119.74 117.92 2kgq s LYS 5 Ca -0.05 0.47 0.00 0.00 -1.36 0.00 0.00 55.97 55.03 2kgq s LYS 5 Cb 0.16 -3.40 0.01 0.00 -1.68 0.00 0.00 37.83 32.92 2kgq s LYS 5 CO 0.58 0.24 0.01 0.15 -0.76 0.00 0.00 175.35 175.56 2kgq s LYS 6 N 0.36 0.04 0.07 1.68 1.02 -0.07 -4.99 119.74 117.86 2kgq s LYS 6 Ca 0.26 0.07 -0.23 0.00 0.02 0.00 0.00 55.97 56.09 2kgq s LYS 6 Cb -0.16 -0.17 -0.06 0.00 -0.52 0.00 0.00 37.83 36.92 2kgq s LYS 6 CO 0.11 -0.07 0.68 0.54 -0.92 0.00 0.00 175.35 175.70 2kgq s VAL 7 N 0.50 4.68 -0.59 3.17 0.11 -1.26 -0.24 120.40 126.76 2kgq s VAL 7 Ca -0.04 1.47 0.04 0.00 -2.93 0.00 0.00 61.98 60.52 2kgq s VAL 7 Cb -0.06 -4.03 0.16 0.00 -1.53 0.00 0.00 36.38 30.92 2kgq s VAL 7 CO -0.01 0.46 0.41 -0.31 -3.33 0.00 0.00 175.10 172.32 2kgq s TYR 8 N -0.61 2.75 1.26 1.54 2.02 -0.29 -4.94 117.35 119.07 2kgq s TYR 8 Ca 0.34 -2.97 -0.15 0.00 -0.37 0.00 0.00 57.07 53.91 2kgq s TYR 8 Cb -0.20 -2.18 0.32 0.00 -0.40 0.00 0.00 41.96 39.49 2kgq s TYR 8 CO 0.22 -0.66 0.99 -1.21 -1.57 0.00 0.00 175.55 173.32 2kgq s GLU 9 N -0.78 -1.64 0.00 -0.62 8.01 -1.26 -3.23 118.70 119.18 2kgq s GLU 9 Ca 0.25 0.65 0.00 0.00 0.01 0.00 0.00 54.97 55.88 2kgq s GLU 9 Cb -0.07 -1.48 0.00 0.00 -4.31 0.00 0.00 34.13 28.27 2kgq s GLU 9 CO -0.14 -4.15 0.00 0.09 0.01 0.00 0.00 175.26 171.07 2kgq n ASN 10 N -5.19 0.00 0.00 -0.19 3.02 -1.26 -4.75 115.26 106.89 2kgq n ASN 10 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2kgq n ASN 10 Cb 0.56 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 -2.00 0.00 -2.63 3.10 4.02 -1.20 -5.03 117.16 113.43 2kgq n TYR 11 Ca 0.00 -0.13 -0.43 0.00 -0.01 0.00 0.00 57.90 57.33 2kgq n TYR 11 Cb 0.00 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.29 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 -0.25 4.21 0.04 -0.72 0.04 -1.26 -4.82 135.00 132.23 2kgq s PRO 12 Ca 0.00 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.39 2kgq s PRO 12 Cb 0.00 -3.68 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 2kgq s PRO 12 CO 0.00 -0.71 -0.08 0.08 0.04 0.00 0.00 177.00 176.33 2kgq s VAL 13 N 3.36 0.55 0.45 -0.36 1.01 -1.26 -4.93 120.40 119.22 2kgq s VAL 13 Ca 0.46 -1.05 0.23 0.00 0.00 0.00 0.00 61.98 61.61 2kgq s VAL 13 Cb -0.15 -0.61 0.43 0.00 0.00 0.00 0.00 36.38 36.04 2kgq s VAL 13 CO 0.09 -0.36 1.82 -1.28 0.00 0.00 0.00 175.10 175.38 2kgq h SER 14 N 4.56 0.30 0.03 3.32 0.87 -1.95 1.49 113.55 122.16 2kgq h SER 14 Ca -0.36 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2kgq h SER 14 Cb 1.20 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2kgq h SER 14 CO 0.41 0.08 -0.02 0.11 -0.53 0.00 0.00 176.83 176.89 2kgq h LYS 15 N 0.28 0.00 0.00 2.24 1.57 -1.99 0.66 116.57 119.33 2kgq h LYS 15 Ca 0.53 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.29 2kgq h LYS 15 Cb 1.54 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.85 2kgq h LYS 15 CO -0.17 0.02 -0.06 0.00 -0.57 0.00 0.00 179.45 178.66 2kgq h GLN 17 N 0.00 0.00 -4.46 0.00 3.07 -0.89 -3.27 115.11 109.55 2kgq h GLN 17 Ca -0.00 0.00 -0.73 0.00 0.09 0.00 0.00 58.65 58.01 2kgq h GLN 17 Cb 0.33 0.00 -0.21 0.00 0.08 0.00 0.00 27.48 27.67 2kgq h GLN 17 CO 0.01 0.00 -0.12 -0.51 0.09 0.00 0.00 178.83 178.30 2kgq s LEU 18 N -4.18 5.60 0.36 0.06 1.43 -1.02 -4.90 118.68 116.02 2kgq s LEU 18 Ca -0.01 -1.40 0.06 0.00 -1.03 0.00 0.00 54.13 51.76 2kgq s LEU 18 Cb 0.01 -2.27 0.34 0.00 0.03 0.00 0.00 46.19 44.30 2kgq s LEU 18 CO 0.05 -0.86 1.02 0.00 0.23 0.00 0.00 176.35 176.78 2kgq h ALA 19 N 8.94 1.40 0.07 4.21 0.00 -1.90 0.89 119.26 132.87 2kgq h ALA 19 Ca -0.29 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 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 0.99 -0.40 -0.52 -0.91 0.00 0.00 0.00 179.25 178.41 2kgq h ASN 20 N 0.00 0.24 -0.77 0.00 2.35 -1.90 -3.22 115.58 112.27 2kgq h ASN 20 Ca 0.00 -0.95 -0.03 0.00 -0.55 0.00 0.00 56.30 54.77 2kgq h ASN 20 Cb 1.14 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 39.40 2kgq h ASN 20 CO 0.00 1.24 0.37 1.56 -1.65 0.00 0.00 177.43 178.95 2kgq h GLN 21 N -0.67 1.13 0.43 0.81 1.08 0.50 -1.93 115.11 116.45 2kgq h GLN 21 Ca -0.10 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 2kgq h GLN 21 Cb 1.36 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 28.56 2kgq h GLN 21 CO 0.06 0.87 -0.48 0.00 -0.95 0.00 0.00 178.83 178.33 2kgq h ASN 23 N -0.93 0.82 0.20 0.00 -1.07 -1.32 0.12 115.58 113.41 2kgq h ASN 23 Ca -0.05 -0.36 -0.01 0.00 0.07 0.00 0.00 56.30 55.95 2kgq h ASN 23 Cb 0.83 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.86 2kgq h ASN 23 CO -0.09 0.99 -0.10 1.88 0.07 0.00 0.00 177.43 180.18 2kgq h TYR 24 N 0.63 -0.25 -0.37 4.14 0.05 -1.27 -1.11 116.97 118.80 2kgq h TYR 24 Ca 0.11 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 2kgq h TYR 24 Cb 0.64 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 2kgq h TYR 24 CO 0.05 0.06 0.17 -0.44 -1.05 0.00 0.00 178.16 176.95 2kgq h ASP 25 N -0.57 0.49 -0.61 3.88 3.32 0.46 -2.30 116.42 121.09 2kgq h ASP 25 Ca -0.03 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 56.92 2kgq h ASP 25 Cb 0.42 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2kgq h ASP 25 CO 0.05 0.49 0.36 0.00 -1.72 0.00 0.00 179.24 178.41 2kgq h LYS 27 N 0.70 0.73 -0.09 0.00 1.57 -0.92 2.73 116.57 121.28 2kgq h LYS 27 Ca 0.25 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.85 2kgq h LYS 27 Cb 0.07 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2kgq h LYS 27 CO -0.12 0.48 -0.57 -0.07 -0.57 0.00 0.00 179.45 178.60 2kgq h LEU 28 N 0.75 0.32 0.00 2.94 3.38 -0.70 -2.57 115.31 119.43 2kgq h LEU 28 Ca 0.40 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2kgq h LEU 28 Cb 0.39 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kgq h LEU 28 CO -0.26 0.82 -0.68 0.47 0.09 0.00 0.00 178.44 178.88 2kgq n ASP 29 N -3.91 1.50 -1.32 -0.43 8.00 0.76 -4.69 116.55 116.46 2kgq n ASP 29 Ca -0.02 0.35 0.10 0.00 0.71 0.00 0.00 54.79 55.93 2kgq n ASP 29 Cb 0.59 -0.72 0.31 0.00 -0.02 0.00 0.00 41.12 41.29 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 -4.07 3.01 -2.57 -1.24 4.76 0.87 -4.94 118.16 113.98 2kgq n LYS 30 Ca -0.09 -2.66 -0.13 0.00 -2.87 0.00 0.00 58.31 52.56 2kgq n LYS 30 Cb 0.35 -1.62 -0.00 0.00 -1.84 0.00 0.00 35.03 31.92 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 1.34 -1.50 -2.15 2.13 8.25 0.14 -4.87 115.22 118.56 2kgq n HIS 31 Ca 0.23 0.07 -0.35 0.00 -0.26 0.00 0.00 57.72 57.41 2kgq n HIS 31 Cb 0.67 -2.74 0.02 0.00 1.12 0.00 0.00 29.99 29.06 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 -2.64 2.63 0.05 -1.41 0.00 -1.19 -4.84 121.76 114.36 2kgq s ALA 32 Ca 0.06 0.91 -0.17 0.00 0.00 0.00 0.00 51.96 52.76 2kgq s ALA 32 Cb -0.03 -3.40 -0.21 0.00 0.00 0.00 0.00 23.12 19.48 2kgq s ALA 32 CO 0.07 -0.94 1.18 0.00 0.00 0.00 0.00 175.76 176.07 2kgq h ARG 33 N 1.08 0.57 0.00 0.00 2.47 -1.86 -3.36 114.38 113.28 2kgq h ARG 33 Ca -0.50 -0.56 0.00 0.00 -1.26 0.00 0.00 59.98 57.65 2kgq h ARG 33 Cb 1.28 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.74 2kgq h ARG 33 CO 0.56 1.18 0.00 0.45 0.56 0.00 0.00 179.97 182.73 2kgq n SER 34 N -4.07 0.19 -0.78 7.04 2.88 -1.26 -5.02 113.62 112.59 2kgq n SER 34 Ca -0.10 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 2kgq n SER 34 Cb 0.73 0.33 0.00 0.00 -0.75 0.00 0.00 64.21 64.52 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 0.33 0.00 3.19 0.46 0.00 -1.26 -3.91 105.19 104.00 2kgq n GLY 35 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 1.41 -0.04 1.61 0.41 -1.07 -1.75 118.70 119.27 2kgq s GLU 36 Ca 0.00 -0.72 0.01 0.00 -0.41 0.00 0.00 54.97 53.86 2kgq s GLU 36 Cb 0.00 -1.40 -0.03 0.00 -1.78 0.00 0.00 34.13 30.92 2kgq s GLU 36 CO 0.00 0.38 -0.06 0.00 -0.49 0.00 0.00 175.26 175.09 2kgq s PHE 38 N -0.89 1.74 -0.19 0.00 0.40 -0.82 -4.91 117.98 113.30 2kgq s PHE 38 Ca 0.14 -0.70 -0.17 0.00 -0.60 0.00 0.00 56.93 55.60 2kgq s PHE 38 Cb -0.11 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.45 2kgq s PHE 38 CO 0.04 0.23 0.44 0.71 0.70 0.00 0.00 175.22 177.34 2kgq s TYR 39 N -3.10 3.39 0.00 0.36 1.51 -1.26 -0.82 117.35 117.43 2kgq s TYR 39 Ca 0.26 0.68 0.00 0.00 -1.01 0.00 0.00 57.07 57.00 2kgq s TYR 39 Cb 0.03 -2.56 0.00 0.00 -0.11 0.00 0.00 41.96 39.31 2kgq s TYR 39 CO 0.09 -0.02 0.00 -0.40 -1.11 0.00 0.00 175.55 174.11 2kgq n ASP 40 N 4.48 0.18 0.15 2.29 5.75 -1.10 -4.97 116.55 123.34 2kgq n ASP 40 Ca -0.07 -0.97 0.01 0.00 -0.01 0.00 0.00 54.79 53.75 2kgq n ASP 40 Cb 0.51 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.91 2kgq n ASP 40 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2kgq h GLU 41 N 0.00 0.09 0.00 0.11 3.07 -1.98 -1.92 114.58 113.96 2kgq h GLU 41 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2kgq h GLU 41 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2kgq h GLU 41 CO 0.00 0.45 0.00 1.63 -1.40 0.00 0.00 179.01 179.69 2kgq n LYS 42 N -4.08 0.63 -1.56 2.33 5.02 -1.26 -4.81 118.16 114.43 2kgq n LYS 42 Ca -0.02 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.08 2kgq n LYS 42 Cb 0.42 -1.35 -0.08 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.85 -1.41 -4.13 1.97 5.12 -0.72 -4.96 116.66 111.68 2kgq n ARG 43 Ca 0.11 1.18 -0.25 0.00 -1.93 0.00 0.00 57.85 56.96 2kgq n ARG 43 Cb 0.05 -5.53 -0.06 0.00 -1.16 0.00 0.00 32.46 25.76 2kgq n ARG 43 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2kgq s ASN 44 N -2.76 5.27 -0.54 0.55 4.22 -1.26 -4.88 114.94 115.54 2kgq s ASN 44 Ca 0.00 -0.25 -0.26 0.00 -2.14 0.00 0.00 52.86 50.21 2kgq s ASN 44 Cb 0.00 -1.29 0.03 0.00 1.28 0.00 0.00 41.25 41.27 2kgq s ASN 44 CO 0.00 0.05 1.05 -0.76 -2.04 0.00 0.00 177.10 175.40 2kgq s LEU 45 N -3.23 3.81 -0.18 3.54 1.43 -1.26 -2.70 118.68 120.08 2kgq s LEU 45 Ca 0.30 -0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.12 2kgq s LEU 45 Cb -0.09 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 2kgq s LEU 45 CO 0.22 -1.30 0.77 -1.10 0.23 0.00 0.00 176.35 175.17 2kgq s GLN 46 N 4.34 4.26 -0.59 1.70 -1.52 0.00 -4.23 119.66 123.62 2kgq s GLN 46 Ca 0.37 0.89 -0.28 0.00 -1.95 0.00 0.00 55.36 54.39 2kgq s GLN 46 Cb -0.10 -3.58 0.03 0.00 -0.22 0.00 0.00 33.01 29.14 2kgq s GLN 46 CO 0.24 -0.32 1.24 0.00 -0.25 0.00 0.00 175.29 176.20 2kgq s ILE 48 N 5.24 4.27 0.00 0.00 1.01 0.30 -1.13 121.20 130.88 2kgq s ILE 48 Ca 0.44 -1.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.22 2kgq s ILE 48 Cb -0.08 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2kgq s ILE 48 CO 0.25 -0.64 1.17 0.00 0.00 0.00 0.00 174.94 175.71 2kgq s ASP 50 N 1.23 5.88 -0.52 0.00 1.47 -1.26 -0.89 116.67 122.58 2kgq s ASP 50 Ca 0.57 0.18 -0.04 0.00 1.18 0.00 0.00 52.55 54.43 2kgq s ASP 50 Cb -0.26 -1.72 0.14 0.00 -0.34 0.00 0.00 42.92 40.73 2kgq s ASP 50 CO 0.26 0.24 0.34 -0.31 0.68 0.00 0.00 175.17 176.38 2kgq s TYR 51 N -1.28 3.50 0.00 2.11 1.51 0.10 -2.70 117.35 120.59 2kgq s TYR 51 Ca 0.26 -2.43 0.00 0.00 -1.01 0.00 0.00 57.07 53.89 2kgq s TYR 51 Cb -0.12 -3.28 0.00 0.00 -0.11 0.00 0.00 41.96 38.44 2kgq s TYR 51 CO 0.18 -0.93 0.00 0.00 -1.11 0.00 0.00 175.55 173.69 2kgq s GLU 53 N 0.00 4.42 0.00 0.00 0.41 -1.26 -5.02 118.70 117.24 2kgq s GLU 53 Ca 0.00 1.41 0.00 0.00 -0.41 0.00 0.00 54.97 55.97 2kgq s GLU 53 Cb 0.00 -3.54 0.00 0.00 -1.78 0.00 0.00 34.13 28.81 2kgq s GLU 53 CO 0.00 -0.33 0.00 2.48 -0.49 0.00 0.00 175.26 176.92