#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 3.29 0.00 0.11 -0.14 -1.26 -3.55 119.74 118.19 2kgq s LYS 3 Ca 0.00 0.58 0.00 0.00 -1.36 0.00 0.00 55.97 55.19 2kgq s LYS 3 Cb 0.00 -2.08 0.00 0.00 -1.68 0.00 0.00 37.83 34.07 2kgq s LYS 3 CO 0.00 -0.73 0.00 0.00 -0.76 0.00 0.00 175.35 173.86 2kgq s LYS 5 N 0.00 3.82 -0.16 0.00 -0.14 -1.23 -0.13 119.74 121.91 2kgq s LYS 5 Ca 0.00 -0.09 -0.06 0.00 -1.36 0.00 0.00 55.97 54.46 2kgq s LYS 5 Cb 0.00 -3.30 0.07 0.00 -1.68 0.00 0.00 37.83 32.93 2kgq s LYS 5 CO 0.00 0.55 0.33 0.15 -0.76 0.00 0.00 175.35 175.62 2kgq s LYS 6 N -0.40 0.24 0.19 1.68 1.02 -0.36 -5.01 119.74 117.09 2kgq s LYS 6 Ca 0.14 0.84 -0.24 0.00 0.02 0.00 0.00 55.97 56.72 2kgq s LYS 6 Cb -0.12 0.09 -0.08 0.00 -0.52 0.00 0.00 37.83 37.20 2kgq s LYS 6 CO 0.03 -0.25 0.78 0.54 -0.92 0.00 0.00 175.35 175.53 2kgq s VAL 7 N 2.28 4.38 -0.62 3.17 0.11 -1.26 -0.75 120.40 127.71 2kgq s VAL 7 Ca -0.02 1.65 -0.01 0.00 -2.93 0.00 0.00 61.98 60.67 2kgq s VAL 7 Cb -0.11 -4.09 0.16 0.00 -1.53 0.00 0.00 36.38 30.81 2kgq s VAL 7 CO -0.10 0.45 0.43 -0.31 -3.33 0.00 0.00 175.10 172.23 2kgq s TYR 8 N -1.24 3.38 0.79 1.54 2.02 -0.18 -4.95 117.35 118.71 2kgq s TYR 8 Ca 0.38 -2.85 -0.11 0.00 -0.37 0.00 0.00 57.07 54.12 2kgq s TYR 8 Cb -0.22 -3.11 0.07 0.00 -0.40 0.00 0.00 41.96 38.30 2kgq s TYR 8 CO 0.25 -0.80 1.09 -1.21 -1.57 0.00 0.00 175.55 173.30 2kgq s GLU 9 N -0.24 2.10 0.00 -0.62 8.01 -1.26 -3.14 118.70 123.54 2kgq s GLU 9 Ca 0.18 0.95 0.00 0.00 0.01 0.00 0.00 54.97 56.11 2kgq s GLU 9 Cb -0.20 -1.89 0.00 0.00 -4.31 0.00 0.00 34.13 27.72 2kgq s GLU 9 CO -0.03 -1.69 0.00 0.09 0.01 0.00 0.00 175.26 173.63 2kgq n ASN 10 N -3.53 -0.66 -0.00 -0.19 3.02 -1.26 -4.76 115.26 107.88 2kgq n ASN 10 Ca 0.08 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.67 2kgq n ASN 10 Cb 0.54 -1.25 -0.06 0.00 -0.61 0.00 0.00 39.78 38.40 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 -2.08 0.00 -1.63 3.10 4.01 -1.19 -5.02 117.16 114.36 2kgq n TYR 11 Ca 0.00 0.00 -0.55 0.00 -0.16 0.00 0.00 57.90 57.19 2kgq n TYR 11 Cb 0.03 -0.15 -0.07 0.00 -0.31 0.00 0.00 39.34 38.85 2kgq n TYR 11 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2kgq n PRO 12 N -1.64 0.95 -4.34 -0.72 -0.02 -1.26 -4.96 135.00 123.01 2kgq n PRO 12 Ca -0.01 0.34 -0.18 0.00 -2.02 0.00 0.00 63.50 61.63 2kgq n PRO 12 Cb 0.21 -1.98 -0.14 0.00 -0.02 0.00 0.00 33.50 31.57 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 1.53 0.74 0.53 -1.45 1.01 -1.26 -4.95 120.40 116.55 2kgq s VAL 13 Ca 0.91 -0.51 0.30 0.00 0.00 0.00 0.00 61.98 62.68 2kgq s VAL 13 Cb -1.06 -0.64 0.47 0.00 0.00 0.00 0.00 36.38 35.15 2kgq s VAL 13 CO 0.56 0.13 1.89 -1.28 0.00 0.00 0.00 175.10 176.40 2kgq h SER 14 N 5.70 0.04 0.32 3.32 0.87 -1.96 1.43 113.55 123.26 2kgq h SER 14 Ca -0.32 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.22 2kgq h SER 14 Cb 1.18 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2kgq h SER 14 CO 0.48 0.01 -0.15 0.11 -0.53 0.00 0.00 176.83 176.76 2kgq h LYS 15 N 0.04 0.00 0.00 2.24 1.57 -1.98 -1.45 116.57 116.99 2kgq h LYS 15 Ca 0.42 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.18 2kgq h LYS 15 Cb 1.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.93 2kgq h LYS 15 CO -0.02 0.15 -0.08 0.00 -0.57 0.00 0.00 179.45 178.92 2kgq n GLN 17 N -3.57 0.04 -3.53 0.00 10.64 -0.54 -3.56 117.38 116.86 2kgq n GLN 17 Ca -0.02 0.48 -0.42 0.00 -1.83 0.00 0.00 57.00 55.21 2kgq n GLN 17 Cb 0.21 -2.18 -0.09 0.00 -0.86 0.00 0.00 30.24 27.32 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 -3.60 5.29 0.43 2.61 1.43 -0.92 -4.92 118.68 119.00 2kgq s LEU 18 Ca -0.01 -1.41 0.09 0.00 -1.03 0.00 0.00 54.13 51.78 2kgq s LEU 18 Cb 0.01 -2.06 0.51 0.00 0.03 0.00 0.00 46.19 44.69 2kgq s LEU 18 CO 0.04 -0.57 1.17 0.00 0.23 0.00 0.00 176.35 177.23 2kgq h ALA 19 N 8.53 1.44 0.01 4.21 0.00 -1.88 0.55 119.26 132.12 2kgq h ALA 19 Ca -0.25 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2kgq h ALA 19 Cb 1.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2kgq h ALA 19 CO 0.79 -0.44 -0.10 -0.91 0.00 0.00 0.00 179.25 178.59 2kgq h ASN 20 N 0.00 0.02 -0.80 0.00 2.35 -1.91 -3.24 115.58 112.00 2kgq h ASN 20 Ca 0.00 -0.97 0.00 0.00 -0.55 0.00 0.00 56.30 54.78 2kgq h ASN 20 Cb 1.13 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.45 2kgq h ASN 20 CO 0.00 1.04 0.51 1.56 -1.65 0.00 0.00 177.43 178.89 2kgq h GLN 21 N -0.97 1.08 0.41 0.81 1.08 -0.19 -1.87 115.11 115.46 2kgq h GLN 21 Ca -0.02 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2kgq h GLN 21 Cb 1.04 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 28.21 2kgq h GLN 21 CO -0.00 0.74 -0.49 0.00 -0.95 0.00 0.00 178.83 178.12 2kgq h ASN 23 N -0.92 0.81 0.31 0.00 -1.07 -1.45 0.15 115.58 113.41 2kgq h ASN 23 Ca -0.05 -0.36 -0.02 0.00 0.07 0.00 0.00 56.30 55.95 2kgq h ASN 23 Cb 0.81 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.85 2kgq h ASN 23 CO -0.10 0.98 -0.15 1.88 0.07 0.00 0.00 177.43 180.10 2kgq h TYR 24 N 0.63 -0.39 -0.53 4.14 0.05 -1.26 -0.78 116.97 118.83 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 0.62 0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.46 2kgq h TYR 24 CO 0.05 -0.10 0.26 -0.44 -1.05 0.00 0.00 178.16 176.88 2kgq h ASP 25 N -0.67 0.70 -0.69 3.88 3.32 0.51 -2.31 116.42 121.16 2kgq h ASP 25 Ca -0.04 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.89 2kgq h ASP 25 Cb 0.47 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2kgq h ASP 25 CO 0.07 0.63 0.45 0.00 -1.72 0.00 0.00 179.24 178.67 2kgq h LYS 27 N 0.91 0.75 -0.21 0.00 1.57 -0.81 3.15 116.57 121.94 2kgq h LYS 27 Ca 0.26 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.88 2kgq h LYS 27 Cb -0.07 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 2kgq h LYS 27 CO -0.07 0.50 -0.34 -0.07 -0.57 0.00 0.00 179.45 178.90 2kgq h LEU 28 N 0.78 0.66 0.00 2.94 3.38 -0.79 -3.01 115.31 119.27 2kgq h LEU 28 Ca 0.34 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2kgq h LEU 28 Cb 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2kgq h LEU 28 CO -0.20 1.06 -0.93 0.47 0.09 0.00 0.00 178.44 178.93 2kgq n ASP 29 N -4.29 1.92 -0.17 -0.43 8.00 0.12 -4.58 116.55 117.11 2kgq n ASP 29 Ca -0.06 0.38 0.14 0.00 0.71 0.00 0.00 54.79 55.97 2kgq n ASP 29 Cb 0.50 -0.76 0.75 0.00 -0.02 0.00 0.00 41.12 41.59 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 -4.48 1.23 -1.23 -1.24 5.02 0.87 -4.88 118.16 113.45 2kgq n LYS 30 Ca -0.13 -0.33 -0.10 0.00 -2.02 0.00 0.00 58.31 55.72 2kgq n LYS 30 Cb 0.48 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 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 -0.57 -0.13 -1.66 2.13 8.25 0.78 -4.85 115.22 119.16 2kgq n HIS 31 Ca 0.21 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.33 2kgq n HIS 31 Cb 0.19 -2.50 0.06 0.00 1.12 0.00 0.00 29.99 28.86 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 -1.81 2.34 -0.02 -1.41 0.00 -1.09 -4.82 121.76 114.95 2kgq s ALA 32 Ca 0.00 0.70 -0.18 0.00 0.00 0.00 0.00 51.96 52.48 2kgq s ALA 32 Cb 0.00 -3.38 -0.33 0.00 0.00 0.00 0.00 23.12 19.41 2kgq s ALA 32 CO 0.00 -1.49 0.87 0.00 0.00 0.00 0.00 175.76 175.14 2kgq h ARG 33 N -0.03 0.40 0.00 0.00 2.47 -1.86 -3.31 114.38 112.06 2kgq h ARG 33 Ca -0.47 -0.68 0.00 0.00 -1.26 0.00 0.00 59.98 57.57 2kgq h ARG 33 Cb 1.27 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 29.84 2kgq h ARG 33 CO 0.52 1.33 0.00 0.45 0.56 0.00 0.00 179.97 182.83 2kgq n SER 34 N -3.89 0.16 -1.61 7.04 2.88 -1.26 -4.96 113.62 111.97 2kgq n SER 34 Ca -0.17 -0.49 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 2kgq n SER 34 Cb 0.97 0.47 0.00 0.00 -0.75 0.00 0.00 64.21 64.90 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 0.47 0.00 3.39 0.46 0.00 -1.26 -3.92 105.19 104.33 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 3.45 -0.07 1.61 0.41 -0.75 -2.68 118.70 120.67 2kgq s GLU 36 Ca 0.00 -0.64 -0.00 0.00 -0.41 0.00 0.00 54.97 53.92 2kgq s GLU 36 Cb 0.00 -2.75 -0.03 0.00 -1.78 0.00 0.00 34.13 29.57 2kgq s GLU 36 CO 0.00 0.16 -0.03 0.00 -0.49 0.00 0.00 175.26 174.90 2kgq s PHE 38 N -0.87 1.51 -0.11 0.00 0.40 -0.88 -4.93 117.98 113.10 2kgq s PHE 38 Ca 0.13 -0.80 -0.18 0.00 -0.60 0.00 0.00 56.93 55.49 2kgq s PHE 38 Cb -0.11 -0.82 -0.04 0.00 0.51 0.00 0.00 43.02 42.56 2kgq s PHE 38 CO 0.03 0.09 0.47 0.71 0.70 0.00 0.00 175.22 177.21 2kgq s TYR 39 N -3.29 3.53 0.33 0.36 1.51 -1.26 -0.53 117.35 117.99 2kgq s TYR 39 Ca 0.24 0.89 0.05 0.00 -1.01 0.00 0.00 57.07 57.23 2kgq s TYR 39 Cb 0.04 -2.53 0.05 0.00 -0.11 0.00 0.00 41.96 39.40 2kgq s TYR 39 CO 0.06 0.20 0.38 -0.40 -1.11 0.00 0.00 175.55 174.68 2kgq n ASP 40 N 3.53 1.51 0.18 2.29 5.68 -0.84 -4.95 116.55 123.95 2kgq n ASP 40 Ca -0.08 -1.96 0.03 0.00 -0.50 0.00 0.00 54.79 52.28 2kgq n ASP 40 Cb 0.52 -0.16 0.37 0.00 -1.14 0.00 0.00 41.12 40.71 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 0.03 0.00 0.11 4.39 -1.98 -1.62 114.58 115.51 2kgq h GLU 41 Ca -0.17 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2kgq h GLU 41 Cb 0.72 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2kgq h GLU 41 CO 0.26 0.36 0.00 1.63 -1.16 0.00 0.00 179.01 180.09 2kgq n LYS 42 N -4.14 0.97 -1.41 2.33 5.02 -1.26 -4.82 118.16 114.85 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 0.37 -1.05 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 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 -0.55 -1.48 -3.73 1.97 5.12 -0.61 -4.96 116.66 112.42 2kgq n ARG 43 Ca 0.02 0.98 -0.30 0.00 -1.93 0.00 0.00 57.85 56.63 2kgq n ARG 43 Cb 0.01 -5.32 -0.04 0.00 -1.16 0.00 0.00 32.46 25.95 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 -2.58 6.42 -0.59 0.55 2.47 -1.26 -4.82 114.94 115.13 2kgq s ASN 44 Ca 0.00 0.45 -0.24 0.00 0.42 0.00 0.00 52.86 53.49 2kgq s ASN 44 Cb 0.00 -2.03 0.05 0.00 -1.45 0.00 0.00 41.25 37.82 2kgq s ASN 44 CO 0.00 0.04 0.97 -0.76 -3.72 0.00 0.00 177.10 173.63 2kgq s LEU 45 N -2.89 4.12 -0.38 3.21 1.43 -1.26 -1.98 118.68 120.94 2kgq s LEU 45 Ca 0.39 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 2kgq s LEU 45 Cb -0.12 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.42 2kgq s LEU 45 CO 0.27 -1.33 1.19 -1.10 0.23 0.00 0.00 176.35 175.62 2kgq s GLN 46 N 4.09 3.85 -0.69 1.70 -1.52 0.31 -4.26 119.66 123.15 2kgq s GLN 46 Ca 0.28 0.93 -0.27 0.00 -1.95 0.00 0.00 55.36 54.35 2kgq s GLN 46 Cb -0.13 -3.86 0.02 0.00 -0.22 0.00 0.00 33.01 28.81 2kgq s GLN 46 CO 0.16 -1.20 1.39 0.00 -0.25 0.00 0.00 175.29 175.40 2kgq s ILE 48 N 6.32 5.08 0.14 0.00 1.01 0.90 -1.01 121.20 133.65 2kgq s ILE 48 Ca 0.43 -1.21 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 2kgq s ILE 48 Cb -0.09 -4.34 -0.07 0.00 0.01 0.00 0.00 42.46 37.97 2kgq s ILE 48 CO 0.18 -0.88 0.98 0.00 0.00 0.00 0.00 174.94 175.21 2kgq s ASP 50 N -0.24 4.46 -0.50 0.00 1.47 -1.26 -1.23 116.67 119.39 2kgq s ASP 50 Ca 0.46 -0.22 -0.02 0.00 1.18 0.00 0.00 52.55 53.95 2kgq s ASP 50 Cb -0.25 -0.97 0.13 0.00 -0.34 0.00 0.00 42.92 41.49 2kgq s ASP 50 CO 0.31 0.26 0.29 -0.31 0.68 0.00 0.00 175.17 176.40 2kgq s TYR 51 N -1.01 3.50 0.00 2.11 1.51 0.82 -2.68 117.35 121.59 2kgq s TYR 51 Ca 0.17 -2.63 0.00 0.00 -1.01 0.00 0.00 57.07 53.61 2kgq s TYR 51 Cb -0.11 -3.17 0.00 0.00 -0.11 0.00 0.00 41.96 38.57 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 1.20 0.00 0.00 0.41 -1.26 -5.15 118.70 113.90 2kgq s GLU 53 Ca 0.00 -0.40 0.19 0.00 -0.41 0.00 0.00 54.97 54.35 2kgq s GLU 53 Cb 0.00 -1.85 0.15 0.00 -1.78 0.00 0.00 34.13 30.65 2kgq s GLU 53 CO 0.00 -0.44 1.11 2.48 -0.49 0.00 0.00 175.26 177.92