#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgg s VAL 2 N 0.00 0.81 0.31 0.44 1.01 -1.26 -5.03 120.40 116.68 2kgg s VAL 2 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2kgg s VAL 2 Cb 0.00 -0.68 0.07 0.00 0.00 0.00 0.00 36.38 35.77 2kgg s VAL 2 CO 0.00 0.23 0.43 0.00 0.00 0.00 0.00 175.10 175.76 2kgg s ALA 4 N -3.33 3.57 -0.28 0.00 0.00 -0.27 -4.98 121.76 116.48 2kgg s ALA 4 Ca 0.26 -0.75 -0.25 0.00 0.00 0.00 0.00 51.96 51.22 2kgg s ALA 4 Cb -0.01 -2.77 0.16 0.00 0.00 0.00 0.00 23.12 20.49 2kgg s ALA 4 CO 0.18 -0.69 1.23 0.00 0.00 0.00 0.00 175.76 176.48 2kgg s ALA 5 N 2.15 -2.09 0.27 0.00 0.00 -1.26 -3.93 121.76 116.90 2kgg s ALA 5 Ca 0.17 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.91 2kgg s ALA 5 Cb -0.16 -1.56 0.62 0.00 0.00 0.00 0.00 23.12 22.02 2kgg s ALA 5 CO 0.10 -0.18 1.70 0.37 0.00 0.00 0.00 175.76 177.75 2kgg h GLN 6 N 3.55 0.38 -4.04 0.00 4.15 -1.95 -3.34 115.11 113.88 2kgg h GLN 6 Ca -0.26 -0.02 -0.60 0.00 0.77 0.00 0.00 58.65 58.54 2kgg h GLN 6 Cb 1.19 -0.09 -0.39 0.00 0.21 0.00 0.00 27.48 28.40 2kgg h GLN 6 CO 0.15 0.25 -0.76 -0.80 -1.93 0.00 0.00 178.83 175.75 2kgg s ASN 7 N -5.24 3.95 -0.21 -0.69 0.01 -1.26 -5.11 114.94 106.40 2kgg s ASN 7 Ca -0.12 -1.46 -0.07 0.00 -0.71 0.00 0.00 52.86 50.51 2kgg s ASN 7 Cb 0.23 -1.08 -0.03 0.00 0.41 0.00 0.00 41.25 40.79 2kgg s ASN 7 CO 0.77 -0.33 0.05 0.00 -1.51 0.00 0.00 177.10 176.08 2kgg n GLN 9 N 4.19 0.43 -3.91 0.00 6.02 -1.26 -4.95 117.38 117.89 2kgg n GLN 9 Ca -0.16 -0.05 -0.30 0.00 -0.01 0.00 0.00 57.00 56.47 2kgg n GLN 9 Cb 0.52 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.30 2kgg n GLN 9 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2kgg n ARG 10 N -1.25 -5.46 -2.46 -1.09 1.74 -1.26 -4.94 116.66 101.93 2kgg n ARG 10 Ca 0.13 0.59 -0.41 0.00 -0.77 0.00 0.00 57.85 57.39 2kgg n ARG 10 Cb 0.26 -5.49 -0.04 0.00 -1.02 0.00 0.00 32.46 26.18 2kgg n ARG 10 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2kgg s PRO 11 N -6.62 4.53 -0.10 5.56 0.02 -1.26 -5.03 135.00 132.10 2kgg s PRO 11 Ca 0.67 1.76 0.01 0.00 0.02 0.00 0.00 61.00 63.46 2kgg s PRO 11 Cb -0.34 -3.29 0.02 0.00 0.02 0.00 0.00 34.50 30.91 2kgg s PRO 11 CO 0.82 -0.05 -0.12 0.00 -0.33 0.00 0.00 177.00 177.33 2kgg s LYS 13 N 1.12 1.15 0.22 0.00 1.02 -1.26 -5.02 119.74 116.96 2kgg s LYS 13 Ca -0.05 -1.08 0.26 0.00 0.02 0.00 0.00 55.97 55.12 2kgg s LYS 13 Cb -0.14 0.40 0.86 0.00 -0.52 0.00 0.00 37.83 38.43 2kgg s LYS 13 CO -0.02 -0.43 1.76 -0.25 -0.92 0.00 0.00 175.35 175.49 2kgg n ASP 14 N -0.21 0.76 -3.68 2.83 9.92 -1.26 -4.37 116.55 120.54 2kgg n ASP 14 Ca -0.09 0.60 -0.29 0.00 -0.53 0.00 0.00 54.79 54.47 2kgg n ASP 14 Cb 0.63 -0.79 -0.13 0.00 -0.64 0.00 0.00 41.12 40.18 2kgg n ASP 14 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2kgg s LYS 15 N -3.16 1.10 -0.30 -1.24 1.02 -1.26 -5.03 119.74 110.88 2kgg s LYS 15 Ca 0.09 -1.77 -0.09 0.00 0.02 0.00 0.00 55.97 54.22 2kgg s LYS 15 Cb 0.12 -2.14 0.18 0.00 -0.52 0.00 0.00 37.83 35.47 2kgg s LYS 15 CO 0.54 -1.14 0.96 0.54 -0.92 0.00 0.00 175.35 175.33 2kgg s VAL 16 N 0.65 -0.42 0.33 3.17 0.11 -1.26 -5.13 120.40 117.84 2kgg s VAL 16 Ca 0.16 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.93 2kgg s VAL 16 Cb -0.23 -0.64 -0.10 0.00 -1.53 0.00 0.00 36.38 33.88 2kgg s VAL 16 CO -0.03 0.00 1.25 -1.81 -3.33 0.00 0.00 175.10 171.18 2kgg s ASP 17 N 2.93 6.83 0.25 3.54 1.11 -1.26 -4.97 116.67 125.11 2kgg s ASP 17 Ca 0.16 2.56 0.08 0.00 0.18 0.00 0.00 52.55 55.52 2kgg s ASP 17 Cb -0.06 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.25 2kgg s ASP 17 CO -0.19 -0.48 0.15 0.26 1.18 0.00 0.00 175.17 176.08 2kgg s TRP 18 N -1.18 3.01 -0.05 4.23 0.52 -1.26 -3.96 118.94 120.25 2kgg s TRP 18 Ca 0.49 -0.13 0.04 0.00 0.02 0.00 0.00 56.10 56.51 2kgg s TRP 18 Cb -0.37 -1.35 0.00 0.00 -1.15 0.00 0.00 33.47 30.60 2kgg s TRP 18 CO 0.49 0.54 -0.15 0.14 0.02 0.00 0.00 176.95 177.99 2kgg s VAL 19 N -2.16 1.30 -0.12 4.03 -7.23 0.10 -4.96 120.40 111.35 2kgg s VAL 19 Ca 0.32 -0.63 -0.07 0.00 -1.81 0.00 0.00 61.98 59.80 2kgg s VAL 19 Cb -0.08 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 2kgg s VAL 19 CO 0.24 0.38 0.12 -1.58 -0.31 0.00 0.00 175.10 173.95 2kgg s GLN 20 N 0.20 3.44 -0.63 4.82 0.74 -1.26 -0.02 119.66 126.96 2kgg s GLN 20 Ca -0.07 -0.18 -0.21 0.00 0.05 0.00 0.00 55.36 54.96 2kgg s GLN 20 Cb -0.12 -3.15 0.09 0.00 1.10 0.00 0.00 33.01 30.92 2kgg s GLN 20 CO 0.02 0.72 0.83 0.00 -0.55 0.00 0.00 175.29 176.32 2kgg n ASP 22 N 6.95 2.45 -0.53 0.00 9.92 -1.24 -1.40 116.55 132.70 2kgg n ASP 22 Ca -0.06 -2.28 0.12 0.00 -0.53 0.00 0.00 54.79 52.04 2kgg n ASP 22 Cb 0.44 -0.56 0.24 0.00 -0.64 0.00 0.00 41.12 40.60 2kgg n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kgg n GLY 23 N 0.14 0.07 0.00 0.44 0.00 -1.26 -4.91 105.19 99.67 2kgg n GLY 23 Ca 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2kgg n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgg n GLY 24 N 1.33 0.68 0.10 -0.02 0.00 -1.23 -4.91 105.19 101.14 2kgg n GLY 24 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 2kgg n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgg n ASP 26 N -2.98 -5.36 -4.89 0.00 9.92 -0.50 -4.98 116.55 107.76 2kgg n ASP 26 Ca -0.27 0.45 -0.29 0.00 -0.53 0.00 0.00 54.79 54.15 2kgg n ASP 26 Cb 1.09 -4.45 -0.01 0.00 -0.64 0.00 0.00 41.12 37.11 2kgg n ASP 26 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kgg s GLU 27 N -3.53 3.60 -0.20 -1.24 2.02 -1.26 -4.74 118.70 113.36 2kgg s GLU 27 Ca 0.00 0.36 -0.07 0.00 0.02 0.00 0.00 54.97 55.27 2kgg s GLU 27 Cb 0.00 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 2kgg s GLU 27 CO 0.00 -0.24 0.06 -1.58 0.02 0.00 0.00 175.26 173.52 2kgg s TRP 28 N -2.75 3.19 0.22 1.61 0.52 -1.26 -1.80 118.94 118.67 2kgg s TRP 28 Ca 0.50 -0.06 0.11 0.00 0.02 0.00 0.00 56.10 56.66 2kgg s TRP 28 Cb -0.10 -2.11 -0.05 0.00 -1.15 0.00 0.00 33.47 30.06 2kgg s TRP 28 CO 0.44 0.02 -0.18 -0.06 0.02 0.00 0.00 176.95 177.19 2kgg s PHE 29 N 0.66 2.41 -0.02 -1.98 0.40 0.97 -1.11 117.98 119.31 2kgg s PHE 29 Ca 0.03 -0.31 -0.15 0.00 -0.60 0.00 0.00 56.93 55.90 2kgg s PHE 29 Cb -0.13 -1.14 -0.05 0.00 0.51 0.00 0.00 43.02 42.21 2kgg s PHE 29 CO 0.02 0.57 0.40 -1.01 0.70 0.00 0.00 175.22 175.90 2kgg s HIS 30 N -1.97 3.70 0.18 0.36 3.76 0.18 -0.72 115.29 120.79 2kgg s HIS 30 Ca 0.25 0.96 -0.13 0.00 -0.15 0.00 0.00 55.06 55.99 2kgg s HIS 30 Cb -0.07 -2.29 0.16 0.00 1.11 0.00 0.00 32.58 31.48 2kgg s HIS 30 CO 0.13 0.61 1.76 1.96 -0.85 0.00 0.00 174.74 178.36 2kgg h GLN 31 N 4.89 0.40 -0.16 1.40 4.20 -1.66 -0.20 115.11 123.98 2kgg h GLN 31 Ca -0.51 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 57.98 2kgg h GLN 31 Cb 1.22 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2kgg h GLN 31 CO 0.63 0.27 -0.68 -0.24 -0.67 0.00 0.00 178.83 178.13 2kgg h VAL 32 N 0.41 1.31 -0.04 -0.54 3.04 -1.90 0.72 116.25 119.26 2kgg h VAL 32 Ca 0.23 -1.94 -0.14 0.00 -1.01 0.00 0.00 66.70 63.84 2kgg h VAL 32 Cb 0.20 1.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 2kgg h VAL 32 CO -0.21 0.61 -0.62 0.00 -1.01 0.00 0.00 177.57 176.34 2kgg n VAL 34 N -3.84 0.57 -2.76 0.00 3.14 -0.12 -4.46 118.33 110.86 2kgg n VAL 34 Ca -0.02 -0.78 -0.01 0.00 -2.96 0.00 0.00 64.34 60.56 2kgg n VAL 34 Cb 0.62 0.88 0.00 0.00 -1.06 0.00 0.00 33.84 34.29 2kgg n VAL 34 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kgg n GLY 35 N 1.14 -1.11 3.21 7.55 0.00 -0.52 -5.04 105.19 110.41 2kgg n GLY 35 Ca 0.16 0.50 -0.22 0.00 0.00 0.00 0.00 46.02 46.46 2kgg n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kgg s VAL 36 N -2.86 1.40 0.07 1.61 1.01 0.24 -5.00 120.40 116.87 2kgg s VAL 36 Ca 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.79 2kgg s VAL 36 Cb -0.01 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2kgg s VAL 36 CO 0.63 -0.00 0.21 -0.94 0.00 0.00 0.00 175.10 175.00 2kgg s SER 37 N -1.44 6.32 0.60 3.32 1.04 -1.26 -4.33 113.70 117.95 2kgg s SER 37 Ca 0.04 0.25 0.29 0.00 0.48 0.00 0.00 55.95 57.00 2kgg s SER 37 Cb -0.09 -1.93 1.54 0.00 0.10 0.00 0.00 66.02 65.64 2kgg s SER 37 CO 0.02 0.16 1.95 1.55 0.98 0.00 0.00 173.24 177.90 2kgg h PRO 38 N 2.98 0.00 -0.06 4.02 0.13 -1.99 0.69 132.00 137.77 2kgg h PRO 38 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.50 2kgg h PRO 38 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kgg h PRO 38 CO 0.75 0.00 -0.73 1.49 -0.23 0.00 0.00 178.00 179.28 2kgg h GLU 39 N 0.00 0.34 -0.08 0.86 4.81 -2.02 -3.24 114.58 115.26 2kgg h GLU 39 Ca 0.16 -0.28 -0.23 0.00 -0.13 0.00 0.00 59.36 58.88 2kgg h GLU 39 Cb 0.95 0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.39 2kgg h GLU 39 CO -0.00 0.93 -0.86 1.98 -0.73 0.00 0.00 179.01 180.33 2kgg h MET 40 N 0.23 0.63 -0.68 1.92 4.05 -1.23 -2.45 114.93 117.40 2kgg h MET 40 Ca -0.03 -0.57 0.07 0.00 -0.28 0.00 0.00 59.70 58.89 2kgg h MET 40 Cb 1.29 0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 32.17 2kgg h MET 40 CO 0.12 1.19 0.36 0.00 0.23 0.00 0.00 176.91 178.80 2kgg h ALA 41 N 0.64 0.92 0.07 0.39 0.00 -1.56 0.35 119.26 120.07 2kgg h ALA 41 Ca -0.07 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 2kgg h ALA 41 Cb 1.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2kgg h ALA 41 CO 0.16 0.00 -1.14 0.93 0.00 0.00 0.00 179.25 179.20 2kgg h GLU 42 N 0.64 0.15 -0.03 0.00 5.08 -1.66 -3.41 114.58 115.35 2kgg h GLU 42 Ca 0.32 -0.26 -0.21 0.00 -1.00 0.00 0.00 59.36 58.21 2kgg h GLU 42 Cb 0.26 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2kgg h GLU 42 CO -0.22 1.12 -0.87 -0.91 -1.00 0.00 0.00 179.01 177.14 2kgg h ASN 43 N -0.57 0.51 -3.36 1.42 2.35 -1.35 -3.47 115.58 111.11 2kgg h ASN 43 Ca -0.26 -0.38 -0.44 0.00 -0.55 0.00 0.00 56.30 54.67 2kgg h ASN 43 Cb 1.53 -0.15 -0.14 0.00 0.05 0.00 0.00 38.32 39.61 2kgg h ASN 43 CO -0.01 1.17 -0.68 -1.61 -1.65 0.00 0.00 177.43 174.65 2kgg s GLU 44 N -3.38 1.41 -0.34 0.81 2.02 0.10 -5.06 118.70 114.26 2kgg s GLU 44 Ca -0.06 -1.70 -0.27 0.00 0.02 0.00 0.00 54.97 52.97 2kgg s GLU 44 Cb 0.09 -0.93 0.01 0.00 0.10 0.00 0.00 34.13 33.41 2kgg s GLU 44 CO 0.86 0.01 0.96 0.34 0.02 0.00 0.00 175.26 177.45 2kgg s ASP 45 N -3.36 6.77 -0.44 -0.19 2.15 -1.26 -4.58 116.67 115.76 2kgg s ASP 45 Ca 0.27 0.78 -0.29 0.00 0.43 0.00 0.00 52.55 53.74 2kgg s ASP 45 Cb 0.04 -2.48 0.02 0.00 -0.30 0.00 0.00 42.92 40.19 2kgg s ASP 45 CO 0.09 -0.82 1.21 -0.47 -0.17 0.00 0.00 175.17 175.01 2kgg s TYR 46 N 3.45 2.72 0.00 -5.34 5.04 -1.26 -5.03 117.35 116.94 2kgg s TYR 46 Ca 0.40 0.75 -0.01 0.00 -2.44 0.00 0.00 57.07 55.76 2kgg s TYR 46 Cb -0.12 -4.33 -0.04 0.00 0.35 0.00 0.00 41.96 37.82 2kgg s TYR 46 CO 0.16 -1.45 0.13 0.42 -1.34 0.00 0.00 175.55 173.48 2kgg s ILE 47 N 4.65 5.06 0.56 3.14 -1.09 -1.26 -3.61 121.20 128.66 2kgg s ILE 47 Ca 0.52 -0.32 0.05 0.00 -2.23 0.00 0.00 60.65 58.66 2kgg s ILE 47 Cb -0.10 -3.35 0.04 0.00 -1.58 0.00 0.00 42.46 37.47 2kgg s ILE 47 CO 0.30 0.32 0.37 0.00 -1.23 0.00 0.00 174.94 174.70 2kgg h ILE 49 N 0.75 0.95 0.00 0.00 2.10 -2.00 -1.01 117.51 118.30 2kgg h ILE 49 Ca -0.37 -0.35 -0.21 0.00 1.08 0.00 0.00 64.86 65.01 2kgg h ILE 49 Cb 1.31 -0.17 -0.03 0.00 -1.09 0.00 0.00 36.82 36.84 2kgg h ILE 49 CO 0.58 0.19 -1.12 0.78 -1.08 0.00 0.00 178.15 177.50 2kgg h ASN 50 N 1.02 0.00 0.84 2.19 4.21 -2.03 -3.27 115.58 118.54 2kgg h ASN 50 Ca 0.49 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.88 2kgg h ASN 50 Cb 0.44 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 2kgg h ASN 50 CO -0.25 0.91 -0.56 0.00 -1.29 0.00 0.00 177.43 176.24