#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 0.22 0.00 -1.24 2.10 -2.00 -1.44 116.57 114.21 2kgq h LYS 3 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2kgq h LYS 3 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2kgq h LYS 3 CO 0.00 0.23 0.29 0.00 -2.00 0.00 0.00 179.45 177.98 2kgq s LYS 5 N -3.42 3.79 -0.12 0.00 -0.14 -0.54 0.02 119.74 119.32 2kgq s LYS 5 Ca -0.02 -0.02 -0.05 0.00 -1.36 0.00 0.00 55.97 54.52 2kgq s LYS 5 Cb 0.04 -3.28 0.06 0.00 -1.68 0.00 0.00 37.83 32.98 2kgq s LYS 5 CO 0.14 0.59 0.26 0.15 -0.76 0.00 0.00 175.35 175.73 2kgq s LYS 6 N -0.54 0.17 0.13 1.68 1.02 -0.06 -4.94 119.74 117.20 2kgq s LYS 6 Ca 0.15 0.69 -0.29 0.00 0.02 0.00 0.00 55.97 56.55 2kgq s LYS 6 Cb -0.13 -0.05 -0.07 0.00 -0.52 0.00 0.00 37.83 37.06 2kgq s LYS 6 CO 0.04 -0.25 0.92 0.08 -0.92 0.00 0.00 175.35 175.23 2kgq s VAL 7 N 2.07 4.43 -0.90 3.17 1.01 -1.26 -0.81 120.40 128.11 2kgq s VAL 7 Ca -0.02 2.00 -0.01 0.00 0.00 0.00 0.00 61.98 63.95 2kgq s VAL 7 Cb -0.11 -4.29 0.23 0.00 0.00 0.00 0.00 36.38 32.20 2kgq s VAL 7 CO -0.09 0.37 0.81 -1.22 0.00 0.00 0.00 175.10 174.98 2kgq n TYR 8 N 2.45 4.14 -1.24 5.22 4.01 -0.09 -4.96 117.16 126.69 2kgq n TYR 8 Ca 0.00 -4.08 -0.33 0.00 -0.16 0.00 0.00 57.90 53.34 2kgq n TYR 8 Cb 0.49 -1.12 0.11 0.00 -0.31 0.00 0.00 39.34 38.51 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 -1.49 1.90 -0.83 -0.72 0.41 -1.26 -3.69 118.70 113.01 2kgq s GLU 9 Ca 0.28 1.63 -0.01 0.00 -0.41 0.00 0.00 54.97 56.46 2kgq s GLU 9 Cb -0.06 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 2kgq s GLU 9 CO -0.11 -1.99 0.70 0.09 -0.49 0.00 0.00 175.26 173.45 2kgq n ASN 10 N -3.17 -2.47 0.17 -0.19 3.02 -1.26 -4.89 115.26 106.47 2kgq n ASN 10 Ca 0.12 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 2kgq n ASN 10 Cb 0.51 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 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 -3.29 -3.70 -1.40 3.10 4.01 -1.24 -5.12 117.16 109.51 2kgq n TYR 11 Ca -0.17 1.05 -0.51 0.00 -0.16 0.00 0.00 57.90 58.11 2kgq n TYR 11 Cb 0.60 2.62 -0.05 0.00 -0.31 0.00 0.00 39.34 42.21 2kgq n TYR 11 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2kgq n PRO 12 N -3.24 0.00 -4.16 -0.72 -0.04 -1.26 -4.96 135.00 120.62 2kgq n PRO 12 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2kgq n PRO 12 Cb 0.00 -1.16 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 2kgq n PRO 12 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kgq s VAL 13 N -0.61 0.33 0.50 0.52 0.11 -1.26 -4.94 120.40 115.05 2kgq s VAL 13 Ca 0.72 -1.91 0.35 0.00 -2.93 0.00 0.00 61.98 58.21 2kgq s VAL 13 Cb -1.03 -1.90 0.55 0.00 -1.53 0.00 0.00 36.38 32.47 2kgq s VAL 13 CO 0.55 -0.64 1.71 0.28 -3.33 0.00 0.00 175.10 173.67 2kgq h SER 14 N 2.90 0.14 0.63 3.54 0.02 -2.00 2.97 113.55 121.75 2kgq h SER 14 Ca -0.35 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.57 2kgq h SER 14 Cb 1.18 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2kgq h SER 14 CO 0.62 -0.03 -0.34 0.11 -1.14 0.00 0.00 176.83 176.05 2kgq h LYS 15 N 0.09 0.00 0.00 3.45 1.79 -1.98 -2.21 116.57 117.71 2kgq h LYS 15 Ca 0.71 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.18 2kgq h LYS 15 Cb 2.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.17 2kgq h LYS 15 CO -0.15 0.34 0.00 0.00 -1.08 0.00 0.00 179.45 178.56 2kgq n GLN 17 N -3.05 0.00 -3.65 0.00 10.64 -0.83 -3.82 117.38 116.66 2kgq n GLN 17 Ca -0.00 0.19 -0.40 0.00 -1.83 0.00 0.00 57.00 54.96 2kgq n GLN 17 Cb 0.23 -1.78 -0.11 0.00 -0.86 0.00 0.00 30.24 27.72 2kgq n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2kgq s LEU 18 N -2.33 4.65 0.19 2.61 1.43 -1.04 -4.93 118.68 119.26 2kgq s LEU 18 Ca 0.00 -1.12 0.06 0.00 -1.03 0.00 0.00 54.13 52.04 2kgq s LEU 18 Cb 0.00 -1.97 0.34 0.00 0.03 0.00 0.00 46.19 44.59 2kgq s LEU 18 CO 0.00 -0.39 1.01 0.00 0.23 0.00 0.00 176.35 177.20 2kgq n ALA 19 N 4.92 0.51 -0.08 4.21 0.00 -1.25 -0.07 120.51 128.75 2kgq n ALA 19 Ca -0.12 0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 2kgq n ALA 19 Cb 0.45 -0.59 -0.13 0.00 0.00 0.00 0.00 19.45 19.19 2kgq n ALA 19 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kgq h ASN 20 N 0.00 0.02 -0.63 0.00 2.35 -1.91 -3.22 115.58 112.19 2kgq h ASN 20 Ca 0.00 -0.82 -0.01 0.00 -0.55 0.00 0.00 56.30 54.92 2kgq h ASN 20 Cb 0.65 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.98 2kgq h ASN 20 CO 0.00 1.20 0.36 1.56 -1.65 0.00 0.00 177.43 178.90 2kgq h GLN 21 N -0.97 0.88 0.89 0.81 1.08 -0.75 -1.90 115.11 115.14 2kgq h GLN 21 Ca -0.14 -0.09 -0.04 0.00 -1.45 0.00 0.00 58.65 56.94 2kgq h GLN 21 Cb 1.14 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 2kgq h GLN 21 CO -0.07 0.64 -0.49 0.00 -0.95 0.00 0.00 178.83 177.96 2kgq h ASN 23 N -1.27 0.82 0.31 0.00 -1.07 -1.43 0.29 115.58 113.23 2kgq h ASN 23 Ca -0.12 -0.26 -0.01 0.00 0.07 0.00 0.00 56.30 55.98 2kgq h ASN 23 Cb 1.00 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 37.03 2kgq h ASN 23 CO 0.16 0.87 -0.15 1.88 0.07 0.00 0.00 177.43 180.26 2kgq h TYR 24 N 0.74 -0.38 -0.86 4.14 0.05 -1.34 -0.51 116.97 118.81 2kgq h TYR 24 Ca 0.16 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 2kgq h TYR 24 Cb 0.39 0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.22 2kgq h TYR 24 CO 0.03 -0.07 0.43 -0.44 -1.05 0.00 0.00 178.16 177.06 2kgq h ASP 25 N -0.69 1.11 -0.67 3.88 3.32 -0.10 -2.21 116.42 121.05 2kgq h ASP 25 Ca -0.04 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 2kgq h ASP 25 Cb 0.48 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 2kgq h ASP 25 CO 0.07 0.92 0.22 0.00 -1.72 0.00 0.00 179.24 178.73 2kgq h LYS 27 N 0.98 0.58 -0.26 0.00 1.57 -0.66 2.97 116.57 121.75 2kgq h LYS 27 Ca 0.22 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.79 2kgq h LYS 27 Cb 0.29 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2kgq h LYS 27 CO -0.01 0.39 -0.52 -0.07 -0.57 0.00 0.00 179.45 178.67 2kgq h LEU 28 N 0.60 0.91 0.00 2.94 3.38 -1.06 -2.97 115.31 119.11 2kgq h LEU 28 Ca 0.23 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2kgq h LEU 28 Cb 0.08 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2kgq h LEU 28 CO -0.13 1.28 -0.88 0.47 0.09 0.00 0.00 178.44 179.27 2kgq n ASP 29 N -4.07 1.81 -0.26 -0.43 8.00 0.10 -4.59 116.55 117.12 2kgq n ASP 29 Ca -0.05 0.35 0.09 0.00 0.71 0.00 0.00 54.79 55.89 2kgq n ASP 29 Cb 0.61 -0.74 0.42 0.00 -0.02 0.00 0.00 41.12 41.39 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 -4.37 1.34 -1.15 -1.24 5.02 0.85 -4.88 118.16 113.73 2kgq n LYS 30 Ca -0.12 -0.52 -0.09 0.00 -2.02 0.00 0.00 58.31 55.56 2kgq n LYS 30 Cb 0.46 -1.31 -0.04 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.25 -0.22 -2.02 2.13 8.25 0.65 -4.85 115.22 118.92 2kgq n HIS 31 Ca 0.14 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.25 2kgq n HIS 31 Cb 0.18 -2.26 0.03 0.00 1.12 0.00 0.00 29.99 29.05 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 -1.66 2.57 -0.01 -1.41 0.00 -1.02 -4.83 121.76 115.41 2kgq s ALA 32 Ca 0.00 0.74 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 2kgq s ALA 32 Cb 0.00 -3.36 -0.31 0.00 0.00 0.00 0.00 23.12 19.45 2kgq s ALA 32 CO 0.00 -1.04 0.98 0.00 0.00 0.00 0.00 175.76 175.70 2kgq h ARG 33 N 0.67 0.42 0.00 0.00 2.47 -1.85 -3.28 114.38 112.81 2kgq h ARG 33 Ca -0.49 -0.65 0.00 0.00 -1.26 0.00 0.00 59.98 57.59 2kgq h ARG 33 Cb 1.26 0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.81 2kgq h ARG 33 CO 0.55 1.29 0.00 0.45 0.56 0.00 0.00 179.97 182.83 2kgq n SER 34 N -4.00 0.13 -1.45 7.04 2.88 -1.26 -4.94 113.62 112.02 2kgq n SER 34 Ca -0.14 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 56.94 2kgq n SER 34 Cb 0.89 0.51 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 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 0.51 0.00 3.39 0.46 0.00 -1.26 -3.88 105.19 104.41 2kgq n GLY 35 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.30 -0.09 1.61 0.41 -1.03 -2.36 118.70 120.54 2kgq s GLU 36 Ca 0.00 -0.68 -0.00 0.00 -0.41 0.00 0.00 54.97 53.88 2kgq s GLU 36 Cb 0.00 -2.61 -0.03 0.00 -1.78 0.00 0.00 34.13 29.71 2kgq s GLU 36 CO 0.00 0.26 -0.07 0.00 -0.49 0.00 0.00 175.26 174.97 2kgq s PHE 38 N -0.47 1.65 -0.13 0.00 0.40 -0.80 -4.93 117.98 113.71 2kgq s PHE 38 Ca 0.07 -0.85 -0.16 0.00 -0.60 0.00 0.00 56.93 55.39 2kgq s PHE 38 Cb -0.12 -0.95 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 2kgq s PHE 38 CO 0.02 0.06 0.40 0.71 0.70 0.00 0.00 175.22 177.10 2kgq s TYR 39 N -3.30 3.51 0.28 0.36 1.51 -1.26 -0.30 117.35 118.14 2kgq s TYR 39 Ca 0.28 0.78 0.04 0.00 -1.01 0.00 0.00 57.07 57.16 2kgq s TYR 39 Cb 0.05 -2.44 0.04 0.00 -0.11 0.00 0.00 41.96 39.50 2kgq s TYR 39 CO 0.09 0.24 0.36 -0.40 -1.11 0.00 0.00 175.55 174.73 2kgq n ASP 40 N 3.48 1.16 0.18 2.29 5.75 -0.82 -4.96 116.55 123.63 2kgq n ASP 40 Ca -0.10 -1.78 0.03 0.00 -0.01 0.00 0.00 54.79 52.93 2kgq n ASP 40 Cb 0.52 -0.18 0.37 0.00 -1.03 0.00 0.00 41.12 40.80 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 0.02 0.00 0.11 3.07 -1.98 -1.73 114.58 114.06 2kgq h GLU 41 Ca -0.14 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 2kgq h GLU 41 Cb 0.61 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2kgq h GLU 41 CO 0.20 0.36 0.00 1.63 -1.40 0.00 0.00 179.01 179.80 2kgq n LYS 42 N -4.12 0.63 -1.41 2.33 5.02 -1.26 -4.79 118.16 114.56 2kgq n LYS 42 Ca -0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 2kgq n LYS 42 Cb 0.39 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.37 -4.13 1.97 5.12 -0.65 -4.97 116.66 111.89 2kgq n ARG 43 Ca 0.07 0.98 -0.28 0.00 -1.93 0.00 0.00 57.85 56.70 2kgq n ARG 43 Cb 0.03 -5.26 -0.07 0.00 -1.16 0.00 0.00 32.46 26.01 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 -2.63 5.14 -0.22 0.55 4.22 -1.26 -4.87 114.94 115.87 2kgq s ASN 44 Ca 0.00 -0.22 -0.28 0.00 -2.14 0.00 0.00 52.86 50.22 2kgq s ASN 44 Cb 0.00 -1.24 0.00 0.00 1.28 0.00 0.00 41.25 41.30 2kgq s ASN 44 CO 0.00 0.11 0.98 -0.76 -2.04 0.00 0.00 177.10 175.39 2kgq s LEU 45 N -2.77 4.11 -0.28 3.54 1.43 -1.26 -1.95 118.68 121.50 2kgq s LEU 45 Ca 0.28 1.30 -0.12 0.00 -1.03 0.00 0.00 54.13 54.56 2kgq s LEU 45 Cb -0.10 -3.44 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 2kgq s LEU 45 CO 0.20 -0.60 0.23 -1.10 0.23 0.00 0.00 176.35 175.31 2kgq s GLN 46 N 2.97 3.95 -0.61 1.70 -1.52 0.59 -4.48 119.66 122.26 2kgq s GLN 46 Ca 0.42 -0.25 -0.26 0.00 -1.95 0.00 0.00 55.36 53.32 2kgq s GLN 46 Cb -0.15 -3.66 0.04 0.00 -0.22 0.00 0.00 33.01 29.01 2kgq s GLN 46 CO 0.07 -0.21 1.12 0.00 -0.25 0.00 0.00 175.29 176.02 2kgq s ILE 48 N 4.74 5.17 0.15 0.00 1.01 0.48 -0.91 121.20 131.84 2kgq s ILE 48 Ca 0.36 -1.40 -0.30 0.00 0.00 0.00 0.00 60.65 59.31 2kgq s ILE 48 Cb -0.10 -4.34 -0.07 0.00 0.01 0.00 0.00 42.46 37.96 2kgq s ILE 48 CO 0.20 -0.87 1.04 0.00 0.00 0.00 0.00 174.94 175.30 2kgq s ASP 50 N -0.08 4.45 -0.47 0.00 1.47 -1.26 -0.89 116.67 119.89 2kgq s ASP 50 Ca 0.48 -0.17 -0.02 0.00 1.18 0.00 0.00 52.55 54.02 2kgq s ASP 50 Cb -0.27 -1.00 0.13 0.00 -0.34 0.00 0.00 42.92 41.44 2kgq s ASP 50 CO 0.32 0.30 0.27 -0.31 0.68 0.00 0.00 175.17 176.43 2kgq s TYR 51 N -0.93 3.53 0.00 2.11 1.51 0.10 -2.66 117.35 121.01 2kgq s TYR 51 Ca 0.15 -2.58 0.00 0.00 -1.01 0.00 0.00 57.07 53.63 2kgq s TYR 51 Cb -0.11 -3.18 0.00 0.00 -0.11 0.00 0.00 41.96 38.56 2kgq s TYR 51 CO 0.06 -0.92 0.00 0.00 -1.11 0.00 0.00 175.55 173.57 2kgq s GLU 53 N 0.00 2.90 0.00 0.00 0.41 -1.26 -5.15 118.70 115.59 2kgq s GLU 53 Ca 0.00 -0.94 0.18 0.00 -0.41 0.00 0.00 54.97 53.80 2kgq s GLU 53 Cb 0.00 -2.97 1.05 0.00 -1.78 0.00 0.00 34.13 30.43 2kgq s GLU 53 CO 0.00 -0.37 1.45 0.66 -0.49 0.00 0.00 175.26 176.51