#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 1.47 0.17 0.44 1.01 -1.26 -4.97 120.40 117.26 2kgg s VAL 2 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 2kgg s VAL 2 Cb 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.18 2kgg s VAL 2 CO 0.00 0.38 0.23 0.00 0.00 0.00 0.00 175.10 175.71 2kgg s ALA 4 N -2.88 3.58 -0.27 0.00 0.00 -0.63 -4.92 121.76 116.64 2kgg s ALA 4 Ca 0.15 -0.45 -0.27 0.00 0.00 0.00 0.00 51.96 51.39 2kgg s ALA 4 Cb -0.01 -3.14 0.18 0.00 0.00 0.00 0.00 23.12 20.15 2kgg s ALA 4 CO 0.10 -0.97 1.32 0.00 0.00 0.00 0.00 175.76 176.21 2kgg s ALA 5 N 2.66 -2.12 0.28 0.00 0.00 -1.26 -4.13 121.76 117.19 2kgg s ALA 5 Ca 0.28 1.78 0.01 0.00 0.00 0.00 0.00 51.96 54.04 2kgg s ALA 5 Cb -0.15 -1.51 0.66 0.00 0.00 0.00 0.00 23.12 22.12 2kgg s ALA 5 CO 0.10 -0.20 1.69 1.96 0.00 0.00 0.00 175.76 179.31 2kgg h GLN 6 N 2.67 0.35 -3.18 0.00 4.20 -1.94 -3.34 115.11 113.86 2kgg h GLN 6 Ca -0.18 -0.02 -0.51 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 0.23 -0.76 1.21 -0.67 0.00 0.00 178.83 179.04 2kgg s ASN 7 N -5.19 3.08 -0.32 1.46 3.84 -1.26 -5.10 114.94 111.44 2kgg s ASN 7 Ca -0.12 -1.01 -0.14 0.00 0.21 0.00 0.00 52.86 51.80 2kgg s ASN 7 Cb 0.24 -0.46 -0.02 0.00 -0.55 0.00 0.00 41.25 40.46 2kgg s ASN 7 CO 0.77 -0.37 0.32 0.00 -2.79 0.00 0.00 177.10 175.03 2kgg n GLN 9 N 5.28 0.07 -3.89 0.00 6.02 -1.26 -4.93 117.38 118.67 2kgg n GLN 9 Ca -0.10 0.23 -0.28 0.00 -0.01 0.00 0.00 57.00 56.83 2kgg n GLN 9 Cb 0.50 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.43 -5.07 -2.73 -1.09 0.63 -1.26 -4.97 116.66 100.74 2kgg n ARG 10 Ca 0.04 0.57 -0.36 0.00 -0.92 0.00 0.00 57.85 57.19 2kgg n ARG 10 Cb 0.15 -5.32 -0.06 0.00 0.45 0.00 0.00 32.46 27.68 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 -6.48 4.44 -0.13 -0.14 0.02 -1.26 -5.05 135.00 126.39 2kgg s PRO 11 Ca 0.46 1.34 -0.02 0.00 0.02 0.00 0.00 61.00 62.81 2kgg s PRO 11 Cb -0.23 -2.65 0.04 0.00 0.02 0.00 0.00 34.50 31.67 2kgg s PRO 11 CO 0.84 0.14 -0.00 0.00 -0.33 0.00 0.00 177.00 177.64 2kgg s LYS 13 N 1.85 0.68 0.14 0.00 1.02 -1.26 -5.02 119.74 117.15 2kgg s LYS 13 Ca 0.02 -0.57 0.19 0.00 0.02 0.00 0.00 55.97 55.63 2kgg s LYS 13 Cb -0.14 0.28 0.80 0.00 -0.52 0.00 0.00 37.83 38.25 2kgg s LYS 13 CO -0.07 -0.19 1.58 -0.25 -0.92 0.00 0.00 175.35 175.50 2kgg n ASP 14 N 0.79 0.36 -2.59 2.83 9.92 -1.26 -3.49 116.55 123.11 2kgg n ASP 14 Ca -0.19 0.59 -0.22 0.00 -0.53 0.00 0.00 54.79 54.44 2kgg n ASP 14 Cb 0.58 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 2kgg n ASP 14 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2kgg n LYS 15 N -1.91 2.79 -3.51 -1.24 5.02 -1.26 -4.93 118.16 113.13 2kgg n LYS 15 Ca 0.02 -4.21 -0.27 0.00 -2.02 0.00 0.00 58.31 51.84 2kgg n LYS 15 Cb 0.19 -1.99 -0.14 0.00 -0.02 0.00 0.00 35.03 33.07 2kgg n LYS 15 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kgg s VAL 16 N -4.77 -0.13 0.44 -0.18 0.11 -1.23 -5.13 120.40 109.51 2kgg s VAL 16 Ca 0.43 -0.74 -0.24 0.00 -2.93 0.00 0.00 61.98 58.50 2kgg s VAL 16 Cb 0.40 -0.98 -0.08 0.00 -1.53 0.00 0.00 36.38 34.19 2kgg s VAL 16 CO -0.13 -0.69 1.20 -1.81 -3.33 0.00 0.00 175.10 170.35 2kgg s ASP 17 N 2.11 6.25 0.25 3.54 1.01 -1.26 -4.91 116.67 123.66 2kgg s ASP 17 Ca 0.09 2.41 0.07 0.00 0.71 0.00 0.00 52.55 55.83 2kgg s ASP 17 Cb -0.16 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 2kgg s ASP 17 CO -0.35 -0.87 0.16 0.26 0.21 0.00 0.00 175.17 174.59 2kgg s TRP 18 N -1.44 3.05 0.00 4.23 0.52 -1.26 -4.09 118.94 119.95 2kgg s TRP 18 Ca 0.61 -0.12 0.06 0.00 0.02 0.00 0.00 56.10 56.66 2kgg s TRP 18 Cb -0.32 -1.37 -0.02 0.00 -1.15 0.00 0.00 33.47 30.61 2kgg s TRP 18 CO 0.39 0.54 -0.19 0.14 0.02 0.00 0.00 176.95 177.85 2kgg s VAL 19 N -2.14 1.48 -0.08 4.03 -7.23 -0.23 -4.96 120.40 111.28 2kgg s VAL 19 Ca 0.32 -0.89 0.01 0.00 -1.81 0.00 0.00 61.98 59.61 2kgg s VAL 19 Cb -0.08 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2kgg s VAL 19 CO 0.24 0.35 -0.08 -1.58 -0.31 0.00 0.00 175.10 173.71 2kgg s GLN 20 N -0.63 2.87 -0.52 4.82 0.74 -1.26 -0.15 119.66 125.53 2kgg s GLN 20 Ca 0.07 -0.58 -0.19 0.00 0.05 0.00 0.00 55.36 54.71 2kgg s GLN 20 Cb -0.08 -2.59 0.07 0.00 1.10 0.00 0.00 33.01 31.51 2kgg s GLN 20 CO -0.00 0.56 0.62 0.00 -0.55 0.00 0.00 175.29 175.92 2kgg n ASP 22 N 6.12 3.10 -0.23 0.00 5.75 -1.26 -1.10 116.55 128.94 2kgg n ASP 22 Ca -0.08 -2.50 0.13 0.00 -0.01 0.00 0.00 54.79 52.34 2kgg n ASP 22 Cb 0.45 -0.60 0.41 0.00 -1.03 0.00 0.00 41.12 40.35 2kgg n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kgg n GLY 23 N 0.09 -0.66 0.00 6.12 0.00 -1.26 -4.86 105.19 104.61 2kgg n GLY 23 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.50 0.11 -0.02 0.00 -1.24 -4.91 105.19 100.95 2kgg n GLY 24 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.29 -4.92 0.00 9.92 -0.25 -4.98 116.55 108.04 2kgg n ASP 26 Ca -0.34 0.42 -0.26 0.00 -0.53 0.00 0.00 54.79 54.07 2kgg n ASP 26 Cb 1.09 -4.27 0.06 0.00 -0.64 0.00 0.00 41.12 37.36 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 -3.40 2.44 -0.16 -1.24 2.02 -1.26 -4.75 118.70 112.34 2kgg s GLU 27 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 54.97 54.86 2kgg s GLU 27 Cb 0.00 -2.18 -0.01 0.00 0.10 0.00 0.00 34.13 32.04 2kgg s GLU 27 CO 0.00 -1.09 -0.12 -1.58 0.02 0.00 0.00 175.26 172.49 2kgg s TRP 28 N -3.20 2.84 0.26 1.61 0.52 -1.26 -2.39 118.94 117.32 2kgg s TRP 28 Ca 0.58 -0.87 0.12 0.00 0.02 0.00 0.00 56.10 55.95 2kgg s TRP 28 Cb -0.11 -1.92 -0.05 0.00 -1.15 0.00 0.00 33.47 30.24 2kgg s TRP 28 CO 0.45 -0.39 -0.19 -0.06 0.02 0.00 0.00 176.95 176.79 2kgg s PHE 29 N 0.79 2.33 -0.07 -1.98 0.40 0.79 -1.60 117.98 118.63 2kgg s PHE 29 Ca -0.05 -0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 55.82 2kgg s PHE 29 Cb -0.15 -1.03 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 2kgg s PHE 29 CO 0.01 0.68 0.37 -1.01 0.70 0.00 0.00 175.22 175.96 2kgg s HIS 30 N -2.35 3.62 0.26 0.36 3.76 0.96 -1.06 115.29 120.84 2kgg s HIS 30 Ca 0.29 0.84 -0.02 0.00 -0.15 0.00 0.00 55.06 56.02 2kgg s HIS 30 Cb -0.06 -2.31 0.46 0.00 1.11 0.00 0.00 32.58 31.78 2kgg s HIS 30 CO 0.15 0.49 1.83 1.96 -0.85 0.00 0.00 174.74 178.32 2kgg h GLN 31 N 5.50 0.91 -0.06 1.40 4.20 -1.67 -0.03 115.11 125.36 2kgg h GLN 31 Ca -0.48 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 57.97 2kgg h GLN 31 Cb 1.20 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.79 2kgg h GLN 31 CO 0.67 0.60 -0.76 -0.24 -0.67 0.00 0.00 178.83 178.42 2kgg h VAL 32 N 0.94 1.33 0.00 -0.54 3.04 -1.90 0.68 116.25 119.81 2kgg h VAL 32 Ca 0.44 -2.05 -0.12 0.00 -1.01 0.00 0.00 66.70 63.96 2kgg h VAL 32 Cb 0.38 2.29 -0.02 0.00 -2.01 0.00 0.00 31.29 31.93 2kgg h VAL 32 CO -0.24 0.63 -0.56 0.00 -1.01 0.00 0.00 177.57 176.39 2kgg n VAL 34 N -3.77 0.55 -2.99 0.00 3.14 -0.06 -4.51 118.33 110.69 2kgg n VAL 34 Ca -0.01 -0.77 -0.03 0.00 -2.96 0.00 0.00 64.34 60.56 2kgg n VAL 34 Cb 0.58 0.90 0.00 0.00 -1.06 0.00 0.00 33.84 34.26 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 1.08 -1.27 3.27 7.55 0.00 -0.68 -5.04 105.19 110.11 2kgg n GLY 35 Ca 0.15 0.76 -0.24 0.00 0.00 0.00 0.00 46.02 46.70 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 1.65 0.03 1.61 1.01 0.23 -5.01 120.40 117.07 2kgg s VAL 36 Ca 0.09 -1.48 -0.01 0.00 0.00 0.00 0.00 61.98 60.58 2kgg s VAL 36 Cb -0.03 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2kgg s VAL 36 CO 0.76 -0.05 0.17 -0.94 0.00 0.00 0.00 175.10 175.04 2kgg s SER 37 N -1.81 6.17 0.56 3.32 1.04 -1.26 -4.47 113.70 117.25 2kgg s SER 37 Ca 0.06 0.25 0.26 0.00 0.48 0.00 0.00 55.95 57.00 2kgg s SER 37 Cb -0.10 -1.87 1.51 0.00 0.10 0.00 0.00 66.02 65.66 2kgg s SER 37 CO 0.04 0.22 2.05 1.55 0.98 0.00 0.00 173.24 178.07 2kgg h PRO 38 N 3.51 0.00 0.00 4.02 0.13 -1.99 0.17 132.00 137.84 2kgg h PRO 38 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 2kgg h PRO 38 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2kgg h PRO 38 CO 0.70 0.00 -0.57 0.93 -0.23 0.00 0.00 178.00 178.83 2kgg h GLU 39 N 0.00 0.00 -0.11 0.86 5.08 -2.00 -3.15 114.58 115.25 2kgg h GLU 39 Ca 0.15 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.27 2kgg h GLU 39 Cb 0.70 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.96 2kgg h GLU 39 CO -0.00 0.57 -0.85 1.98 -1.00 0.00 0.00 179.01 179.71 2kgg h MET 40 N 0.00 0.75 -0.67 2.33 4.05 -1.03 -2.69 114.93 117.68 2kgg h MET 40 Ca -0.01 -0.66 0.05 0.00 -0.28 0.00 0.00 59.70 58.80 2kgg h MET 40 Cb 1.13 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 32.03 2kgg h MET 40 CO 0.07 1.26 0.38 0.00 0.23 0.00 0.00 176.91 178.86 2kgg h ALA 41 N 0.53 0.90 0.00 0.39 0.00 -1.48 0.23 119.26 119.83 2kgg h ALA 41 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kgg h ALA 41 Cb 1.48 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2kgg h ALA 41 CO 0.17 0.07 -0.55 0.39 0.00 0.00 0.00 179.25 179.33 2kgg n GLU 42 N -4.77 0.22 -0.05 0.00 1.02 -1.23 -4.55 120.64 111.28 2kgg n GLU 42 Ca 0.08 0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2kgg n GLU 42 Cb 0.16 -1.64 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 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 -1.96 3.11 -4.44 1.62 3.02 -0.95 -5.09 115.26 110.57 2kgg n ASN 43 Ca 0.04 -0.06 -0.22 0.00 -0.03 0.00 0.00 54.58 54.32 2kgg n ASN 43 Cb 0.41 -0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 39.37 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 -2.22 1.59 -0.20 3.52 2.02 0.76 -5.06 118.70 119.10 2kgg s GLU 44 Ca -0.14 -1.83 -0.29 0.00 0.02 0.00 0.00 54.97 52.72 2kgg s GLU 44 Cb 0.04 -1.10 -0.01 0.00 0.10 0.00 0.00 34.13 33.16 2kgg s GLU 44 CO 0.27 -0.02 1.30 0.16 0.02 0.00 0.00 175.26 176.98 2kgg s ASP 45 N -3.46 6.85 -0.62 -0.19 -4.77 -1.26 -4.60 116.67 108.62 2kgg s ASP 45 Ca 0.31 1.58 -0.26 0.00 -3.30 0.00 0.00 52.55 50.89 2kgg s ASP 45 Cb 0.05 -2.54 0.04 0.00 -1.09 0.00 0.00 42.92 39.38 2kgg s ASP 45 CO 0.13 -0.86 1.10 -0.47 0.70 0.00 0.00 175.17 175.77 2kgg s TYR 46 N 3.80 2.60 -0.05 2.11 5.04 -1.26 -5.02 117.35 124.56 2kgg s TYR 46 Ca 0.56 0.04 -0.04 0.00 -2.44 0.00 0.00 57.07 55.19 2kgg s TYR 46 Cb -0.21 -4.37 -0.04 0.00 0.35 0.00 0.00 41.96 37.69 2kgg s TYR 46 CO 0.18 -1.63 0.16 0.42 -1.34 0.00 0.00 175.55 173.33 2kgg s ILE 47 N 4.69 5.43 0.54 3.14 -1.09 -1.26 -3.99 121.20 128.66 2kgg s ILE 47 Ca 0.34 -0.02 0.08 0.00 -2.23 0.00 0.00 60.65 58.82 2kgg s ILE 47 Cb -0.10 -3.46 0.05 0.00 -1.58 0.00 0.00 42.46 37.37 2kgg s ILE 47 CO 0.19 0.45 0.60 0.00 -1.23 0.00 0.00 174.94 174.95 2kgg h ILE 49 N 0.49 0.85 0.00 0.00 2.10 -1.99 -1.09 117.51 117.86 2kgg h ILE 49 Ca -0.34 -0.27 -0.17 0.00 1.08 0.00 0.00 64.86 65.16 2kgg h ILE 49 Cb 1.29 -0.01 -0.03 0.00 -1.09 0.00 0.00 36.82 36.98 2kgg h ILE 49 CO 0.48 0.14 -1.21 0.78 -1.08 0.00 0.00 178.15 177.26 2kgg h ASN 50 N 0.79 0.00 0.89 2.19 2.35 -2.03 -3.25 115.58 116.51 2kgg h ASN 50 Ca 0.47 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.15 2kgg h ASN 50 Cb 0.67 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 2kgg h ASN 50 CO -0.24 0.65 -0.35 0.00 -1.65 0.00 0.00 177.43 175.84