#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 2.22 0.17 2.46 1.01 -1.26 -5.00 120.40 119.99 2kgg s VAL 2 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2kgg s VAL 2 Cb 0.00 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.62 2kgg s VAL 2 CO 0.00 0.58 0.23 0.00 0.00 0.00 0.00 175.10 175.91 2kgg s ALA 4 N -2.54 3.59 -0.28 0.00 0.00 -0.57 -4.90 121.76 117.06 2kgg s ALA 4 Ca 0.16 -0.55 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 2kgg s ALA 4 Cb -0.01 -2.91 0.18 0.00 0.00 0.00 0.00 23.12 20.38 2kgg s ALA 4 CO 0.11 -0.72 1.33 0.00 0.00 0.00 0.00 175.76 176.48 2kgg s ALA 5 N 2.26 -2.12 0.29 0.00 0.00 -1.26 -4.29 121.76 116.63 2kgg s ALA 5 Ca 0.22 1.79 0.03 0.00 0.00 0.00 0.00 51.96 54.01 2kgg s ALA 5 Cb -0.16 -1.51 0.71 0.00 0.00 0.00 0.00 23.12 22.16 2kgg s ALA 5 CO 0.09 -0.20 1.69 1.96 0.00 0.00 0.00 175.76 179.30 2kgg h GLN 6 N 2.56 0.37 -2.78 0.00 4.20 -1.95 -3.33 115.11 114.18 2kgg h GLN 6 Ca -0.16 -0.02 -0.53 0.00 0.06 0.00 0.00 58.65 58.00 2kgg h GLN 6 Cb 1.19 -0.08 -0.40 0.00 0.30 0.00 0.00 27.48 28.49 2kgg h GLN 6 CO 0.21 0.24 -0.78 1.21 -0.67 0.00 0.00 178.83 179.05 2kgg s ASN 7 N -5.18 3.51 -0.25 1.46 2.47 -1.26 -5.11 114.94 110.58 2kgg s ASN 7 Ca -0.12 -1.28 -0.19 0.00 0.42 0.00 0.00 52.86 51.69 2kgg s ASN 7 Cb 0.25 -0.34 -0.03 0.00 -1.45 0.00 0.00 41.25 39.69 2kgg s ASN 7 CO 0.78 -0.44 0.55 0.00 -3.72 0.00 0.00 177.10 174.27 2kgg n GLN 9 N 5.51 0.10 -3.84 0.00 6.02 -1.26 -4.92 117.38 119.00 2kgg n GLN 9 Ca -0.03 0.18 -0.28 0.00 -0.01 0.00 0.00 57.00 56.86 2kgg n GLN 9 Cb 0.50 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.26 2kgg n GLN 9 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2kgg n ARG 10 N -1.41 -2.54 -2.42 -1.09 0.63 -1.26 -4.94 116.66 103.63 2kgg n ARG 10 Ca 0.06 0.43 -0.42 0.00 -0.92 0.00 0.00 57.85 57.00 2kgg n ARG 10 Cb 0.16 -4.35 -0.03 0.00 0.45 0.00 0.00 32.46 28.69 2kgg n ARG 10 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2kgg s PRO 11 N -6.33 4.46 -0.23 -0.14 0.02 -1.26 -5.01 135.00 126.50 2kgg s PRO 11 Ca 0.19 1.79 0.01 0.00 0.02 0.00 0.00 61.00 63.01 2kgg s PRO 11 Cb -0.07 -3.31 0.06 0.00 0.02 0.00 0.00 34.50 31.20 2kgg s PRO 11 CO 0.88 -0.18 -0.06 0.00 -0.33 0.00 0.00 177.00 177.31 2kgg s LYS 13 N 1.38 0.65 -0.01 0.00 1.02 -1.26 -5.07 119.74 116.45 2kgg s LYS 13 Ca -0.06 -1.09 -0.25 0.00 0.02 0.00 0.00 55.97 54.59 2kgg s LYS 13 Cb -0.19 -0.08 -0.19 0.00 -0.52 0.00 0.00 37.83 36.85 2kgg s LYS 13 CO -0.06 -0.03 1.31 -0.44 -0.92 0.00 0.00 175.35 175.20 2kgg h ASP 14 N 3.55 -0.03 -3.72 2.83 3.32 -2.06 -3.38 116.42 116.94 2kgg h ASP 14 Ca -0.35 -0.40 -0.76 0.00 0.02 0.00 0.00 57.03 55.54 2kgg h ASP 14 Cb 1.17 0.01 -0.28 0.00 0.22 0.00 0.00 39.33 40.45 2kgg h ASP 14 CO 0.57 0.39 -0.09 -0.75 -1.72 0.00 0.00 179.24 177.64 2kgg s LYS 15 N -4.48 3.19 -0.25 3.56 2.20 -1.26 -4.97 119.74 117.74 2kgg s LYS 15 Ca -0.15 -2.29 -0.10 0.00 -0.36 0.00 0.00 55.97 53.06 2kgg s LYS 15 Cb 0.02 -4.22 0.10 0.00 -1.51 0.00 0.00 37.83 32.21 2kgg s LYS 15 CO 0.66 -1.26 0.55 0.54 -0.36 0.00 0.00 175.35 175.48 2kgg s VAL 16 N 0.46 -0.52 0.72 4.02 0.11 -1.26 -5.17 120.40 118.77 2kgg s VAL 16 Ca 0.14 0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 59.13 2kgg s VAL 16 Cb -0.17 -0.84 0.03 0.00 -1.53 0.00 0.00 36.38 33.87 2kgg s VAL 16 CO -0.05 0.03 1.10 -1.81 -3.33 0.00 0.00 175.10 171.04 2kgg s ASP 17 N 2.29 4.76 0.12 3.54 1.11 -1.26 -5.02 116.67 122.21 2kgg s ASP 17 Ca -0.06 1.91 0.03 0.00 0.18 0.00 0.00 52.55 54.61 2kgg s ASP 17 Cb -0.10 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 2kgg s ASP 17 CO -0.16 -1.86 -0.09 0.26 1.18 0.00 0.00 175.17 174.50 2kgg s TRP 18 N -2.63 1.11 -0.05 4.23 0.52 -1.26 -4.31 118.94 116.54 2kgg s TRP 18 Ca 0.64 -0.81 0.02 0.00 0.02 0.00 0.00 56.10 55.97 2kgg s TRP 18 Cb -0.19 -0.59 0.01 0.00 -1.15 0.00 0.00 33.47 31.56 2kgg s TRP 18 CO 0.49 -0.01 -0.09 0.14 0.02 0.00 0.00 176.95 177.50 2kgg s VAL 19 N -3.38 0.89 -0.11 4.03 -7.23 -0.14 -4.97 120.40 109.50 2kgg s VAL 19 Ca 0.14 -0.35 -0.09 0.00 -1.81 0.00 0.00 61.98 59.87 2kgg s VAL 19 Cb 0.03 -0.83 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 2kgg s VAL 19 CO -0.02 0.30 0.19 -1.58 -0.31 0.00 0.00 175.10 173.68 2kgg s GLN 20 N 0.65 3.63 -0.49 4.82 0.74 -1.26 0.16 119.66 127.91 2kgg s GLN 20 Ca -0.12 -0.04 -0.23 0.00 0.05 0.00 0.00 55.36 55.02 2kgg s GLN 20 Cb -0.14 -3.23 0.03 0.00 1.10 0.00 0.00 33.01 30.77 2kgg s GLN 20 CO 0.02 0.69 0.84 0.00 -0.55 0.00 0.00 175.29 176.30 2kgg n ASP 22 N 6.99 2.24 -0.01 0.00 8.00 -1.09 -2.59 116.55 130.08 2kgg n ASP 22 Ca 0.02 -2.18 0.12 0.00 0.71 0.00 0.00 54.79 53.46 2kgg n ASP 22 Cb 0.48 -0.54 0.17 0.00 -0.02 0.00 0.00 41.12 41.21 2kgg n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kgg n GLY 23 N 0.15 -1.16 0.00 0.44 0.00 -1.26 -4.93 105.19 98.43 2kgg n GLY 23 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.49 0.72 0.09 -0.02 0.00 -1.22 -4.94 105.19 101.31 2kgg n GLY 24 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.06 -5.46 -4.93 0.00 8.00 -1.07 -4.97 116.55 105.05 2kgg n ASP 26 Ca -0.10 0.43 -0.25 0.00 0.71 0.00 0.00 54.79 55.57 2kgg n ASP 26 Cb 0.93 -4.78 0.02 0.00 -0.02 0.00 0.00 41.12 37.27 2kgg n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kgg s GLU 27 N -3.94 3.06 -0.17 -1.24 2.02 -1.26 -4.80 118.70 112.36 2kgg s GLU 27 Ca 0.00 -0.15 -0.05 0.00 0.02 0.00 0.00 54.97 54.79 2kgg s GLU 27 Cb 0.00 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 2kgg s GLU 27 CO 0.00 -0.47 -0.01 -1.58 0.02 0.00 0.00 175.26 173.22 2kgg s TRP 28 N -2.79 3.06 0.24 1.61 0.52 -1.26 -1.80 118.94 118.51 2kgg s TRP 28 Ca 0.51 -0.28 0.11 0.00 0.02 0.00 0.00 56.10 56.46 2kgg s TRP 28 Cb -0.10 -2.01 -0.05 0.00 -1.15 0.00 0.00 33.47 30.16 2kgg s TRP 28 CO 0.42 -0.05 -0.19 -0.06 0.02 0.00 0.00 176.95 177.09 2kgg s PHE 29 N 0.51 2.12 -0.07 -1.98 0.40 0.12 -1.51 117.98 117.57 2kgg s PHE 29 Ca -0.02 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 55.82 2kgg s PHE 29 Cb -0.14 -0.96 -0.05 0.00 0.51 0.00 0.00 43.02 42.38 2kgg s PHE 29 CO 0.02 0.57 0.24 -1.01 0.70 0.00 0.00 175.22 175.74 2kgg s HIS 30 N -2.42 3.64 0.18 0.36 3.76 0.20 -0.96 115.29 120.06 2kgg s HIS 30 Ca 0.25 0.69 -0.12 0.00 -0.15 0.00 0.00 55.06 55.73 2kgg s HIS 30 Cb -0.05 -2.06 0.15 0.00 1.11 0.00 0.00 32.58 31.73 2kgg s HIS 30 CO 0.12 0.70 1.78 1.96 -0.85 0.00 0.00 174.74 178.45 2kgg h GLN 31 N 4.84 0.49 -0.30 1.40 4.20 -1.73 -0.58 115.11 123.43 2kgg h GLN 31 Ca -0.54 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 57.96 2kgg h GLN 31 Cb 1.23 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 2kgg h GLN 31 CO 0.60 0.33 -0.52 -0.24 -0.67 0.00 0.00 178.83 178.33 2kgg h VAL 32 N 0.51 1.27 -0.13 -0.54 3.04 -1.91 0.80 116.25 119.30 2kgg h VAL 32 Ca 0.24 -1.70 -0.14 0.00 -1.01 0.00 0.00 66.70 64.09 2kgg h VAL 32 Cb 0.15 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 2kgg h VAL 32 CO -0.17 0.56 -0.53 0.00 -1.01 0.00 0.00 177.57 176.42 2kgg n VAL 34 N -3.94 1.04 -3.23 0.00 3.14 -0.25 -4.62 118.33 110.46 2kgg n VAL 34 Ca -0.02 -1.01 -0.14 0.00 -2.96 0.00 0.00 64.34 60.20 2kgg n VAL 34 Cb 0.57 0.48 0.07 0.00 -1.06 0.00 0.00 33.84 33.90 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 1.21 -1.17 3.49 7.55 0.00 -0.54 -5.03 105.19 110.70 2kgg n GLY 35 Ca 0.20 0.58 -0.30 0.00 0.00 0.00 0.00 46.02 46.50 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 -3.37 2.88 0.06 1.61 1.01 0.27 -5.01 120.40 117.85 2kgg s VAL 36 Ca 0.43 -1.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 2kgg s VAL 36 Cb -0.06 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2kgg s VAL 36 CO 0.74 0.18 0.21 -0.94 0.00 0.00 0.00 175.10 175.29 2kgg s SER 37 N -1.91 6.34 0.53 3.32 1.04 -1.26 -4.33 113.70 117.43 2kgg s SER 37 Ca 0.17 0.27 0.26 0.00 0.48 0.00 0.00 55.95 57.13 2kgg s SER 37 Cb -0.11 -1.95 1.40 0.00 0.10 0.00 0.00 66.02 65.46 2kgg s SER 37 CO 0.09 0.17 1.97 -0.65 0.98 0.00 0.00 173.24 175.80 2kgg h PRO 38 N 3.12 0.02 -0.08 4.02 0.11 -2.00 0.41 132.00 137.59 2kgg h PRO 38 Ca -0.45 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 2kgg h PRO 38 Cb 1.16 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2kgg h PRO 38 CO 0.75 0.01 -0.44 0.93 -0.21 0.00 0.00 178.00 179.05 2kgg h GLU 39 N 0.02 0.18 -0.05 1.05 5.08 -2.01 -3.10 114.58 115.76 2kgg h GLU 39 Ca 0.29 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.37 2kgg h GLU 39 Cb 1.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.41 2kgg h GLU 39 CO -0.01 0.59 -0.72 1.98 -1.00 0.00 0.00 179.01 179.86 2kgg h MET 40 N 0.15 0.58 -0.90 2.33 4.05 -1.28 -3.14 114.93 116.72 2kgg h MET 40 Ca 0.01 -0.55 0.06 0.00 -0.28 0.00 0.00 59.70 58.94 2kgg h MET 40 Cb 0.84 0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 31.72 2kgg h MET 40 CO 0.07 1.17 0.57 0.00 0.23 0.00 0.00 176.91 178.95 2kgg h ALA 41 N 0.42 1.23 0.00 0.39 0.00 -1.45 0.18 119.26 120.04 2kgg h ALA 41 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kgg h ALA 41 Cb 1.38 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2kgg h ALA 41 CO 0.14 0.34 -0.43 0.39 0.00 0.00 0.00 179.25 179.69 2kgg n GLU 42 N -4.58 0.23 -0.04 0.00 1.02 -1.21 -4.50 120.64 111.58 2kgg n GLU 42 Ca 0.13 0.10 -0.04 0.00 -0.02 0.00 0.00 57.16 57.33 2kgg n GLU 42 Cb 0.16 -1.68 -0.05 0.00 -0.02 0.00 0.00 31.44 29.86 2kgg n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kgg n ASN 43 N -2.04 3.34 -4.13 1.62 3.02 -0.85 -5.05 115.26 111.17 2kgg n ASN 43 Ca 0.04 -0.02 -0.20 0.00 -0.03 0.00 0.00 54.58 54.37 2kgg n ASN 43 Cb 0.42 0.33 -0.14 0.00 -0.61 0.00 0.00 39.78 39.78 2kgg n ASN 43 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kgg s GLU 44 N -2.17 0.97 -0.21 3.52 2.02 0.59 -5.08 118.70 118.34 2kgg s GLU 44 Ca -0.07 -0.68 -0.29 0.00 0.02 0.00 0.00 54.97 53.95 2kgg s GLU 44 Cb 0.02 -0.97 -0.02 0.00 0.10 0.00 0.00 34.13 33.26 2kgg s GLU 44 CO 0.24 0.25 1.56 -0.51 0.02 0.00 0.00 175.26 176.82 2kgg s ASP 45 N -0.92 6.47 -0.09 -0.19 1.11 -1.26 -4.49 116.67 117.30 2kgg s ASP 45 Ca 0.02 1.63 -0.30 0.00 0.18 0.00 0.00 52.55 54.09 2kgg s ASP 45 Cb -0.07 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 2kgg s ASP 45 CO 0.01 -1.18 1.52 -0.47 1.18 0.00 0.00 175.17 176.22 2kgg s TYR 46 N 4.92 2.29 -0.11 4.23 5.04 -1.26 -4.95 117.35 127.51 2kgg s TYR 46 Ca 0.69 0.48 -0.05 0.00 -2.44 0.00 0.00 57.07 55.74 2kgg s TYR 46 Cb -0.24 -3.78 -0.04 0.00 0.35 0.00 0.00 41.96 38.25 2kgg s TYR 46 CO 0.28 -3.11 0.09 0.42 -1.34 0.00 0.00 175.55 171.88 2kgg s ILE 47 N 3.80 5.09 0.57 3.14 -1.09 -1.26 -2.66 121.20 128.78 2kgg s ILE 47 Ca 0.67 0.05 0.09 0.00 -2.23 0.00 0.00 60.65 59.23 2kgg s ILE 47 Cb -0.29 -3.20 0.08 0.00 -1.58 0.00 0.00 42.46 37.47 2kgg s ILE 47 CO 0.25 0.61 0.71 0.00 -1.23 0.00 0.00 174.94 175.28 2kgg h ILE 49 N 0.30 1.00 -0.07 0.00 2.10 -1.99 0.56 117.51 119.41 2kgg h ILE 49 Ca -0.31 -0.35 -0.23 0.00 1.08 0.00 0.00 64.86 65.04 2kgg h ILE 49 Cb 1.29 -0.13 0.01 0.00 -1.09 0.00 0.00 36.82 36.90 2kgg h ILE 49 CO 0.44 0.19 -0.87 0.78 -1.08 0.00 0.00 178.15 177.61 2kgg h ASN 50 N 1.03 0.80 0.60 2.19 4.21 -2.04 -3.04 115.58 119.33 2kgg h ASN 50 Ca 0.45 -0.57 -0.07 0.00 1.21 0.00 0.00 56.30 57.32 2kgg h ASN 50 Cb 0.35 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 2kgg h ASN 50 CO -0.21 1.36 -0.34 0.00 -1.29 0.00 0.00 177.43 176.96