#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 1.08 0.14 0.44 1.01 -1.26 -4.93 120.40 116.88 2kgg s VAL 2 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2kgg s VAL 2 Cb 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.48 2kgg s VAL 2 CO 0.00 0.31 0.19 0.00 0.00 0.00 0.00 175.10 175.61 2kgg s ALA 4 N -2.18 3.58 -0.25 0.00 0.00 -0.90 -4.87 121.76 117.13 2kgg s ALA 4 Ca 0.15 -0.32 -0.27 0.00 0.00 0.00 0.00 51.96 51.51 2kgg s ALA 4 Cb -0.01 -3.02 0.16 0.00 0.00 0.00 0.00 23.12 20.25 2kgg s ALA 4 CO 0.09 -0.68 1.21 0.00 0.00 0.00 0.00 175.76 176.39 2kgg s ALA 5 N 2.20 -2.07 0.30 0.00 0.00 -1.26 -4.20 121.76 116.73 2kgg s ALA 5 Ca 0.28 1.75 0.05 0.00 0.00 0.00 0.00 51.96 54.05 2kgg s ALA 5 Cb -0.16 -1.36 0.77 0.00 0.00 0.00 0.00 23.12 22.38 2kgg s ALA 5 CO 0.09 -0.22 1.70 0.37 0.00 0.00 0.00 175.76 177.71 2kgg h GLN 6 N 2.93 0.43 -3.08 0.00 4.15 -1.95 -3.29 115.11 114.29 2kgg h GLN 6 Ca -0.20 -0.03 -0.56 0.00 0.77 0.00 0.00 58.65 58.63 2kgg h GLN 6 Cb 1.18 -0.10 -0.40 0.00 0.21 0.00 0.00 27.48 28.38 2kgg h GLN 6 CO 0.21 0.28 -0.78 1.21 -1.93 0.00 0.00 178.83 177.83 2kgg s ASN 7 N -5.17 3.67 0.29 -0.69 2.47 -1.26 -5.13 114.94 109.12 2kgg s ASN 7 Ca -0.11 -1.64 -0.02 0.00 0.42 0.00 0.00 52.86 51.51 2kgg s ASN 7 Cb 0.26 -0.61 -0.04 0.00 -1.45 0.00 0.00 41.25 39.41 2kgg s ASN 7 CO 0.78 -0.40 0.51 0.00 -3.72 0.00 0.00 177.10 174.28 2kgg s GLN 9 N -3.83 2.07 -0.67 0.00 -0.21 -1.26 -5.07 119.66 110.70 2kgg s GLN 9 Ca 0.41 -2.19 0.04 0.00 0.02 0.00 0.00 55.36 53.64 2kgg s GLN 9 Cb -0.10 -1.64 0.31 0.00 1.00 0.00 0.00 33.01 32.58 2kgg s GLN 9 CO 0.32 -0.18 1.03 0.54 -2.12 0.00 0.00 175.29 174.88 2kgg n ARG 10 N -1.12 3.40 -3.27 2.91 5.12 -1.26 -4.77 116.66 117.67 2kgg n ARG 10 Ca -0.10 -4.79 -0.35 0.00 -1.93 0.00 0.00 57.85 50.69 2kgg n ARG 10 Cb 0.67 -2.28 -0.06 0.00 -1.16 0.00 0.00 32.46 29.62 2kgg n ARG 10 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 2kgg s PRO 11 N -3.31 4.05 -0.24 5.56 0.02 -1.26 -5.07 135.00 134.75 2kgg s PRO 11 Ca 0.45 0.61 -0.01 0.00 0.02 0.00 0.00 61.00 62.07 2kgg s PRO 11 Cb 0.23 -2.87 0.07 0.00 0.02 0.00 0.00 34.50 31.95 2kgg s PRO 11 CO -0.10 0.42 0.02 0.00 -0.33 0.00 0.00 177.00 177.01 2kgg s LYS 13 N 1.60 0.96 -0.19 0.00 1.02 -1.26 -5.06 119.74 116.81 2kgg s LYS 13 Ca 0.00 -0.50 -0.21 0.00 0.02 0.00 0.00 55.97 55.28 2kgg s LYS 13 Cb -0.18 0.42 -0.19 0.00 -0.52 0.00 0.00 37.83 37.37 2kgg s LYS 13 CO -0.11 -0.34 0.28 -0.44 -0.92 0.00 0.00 175.35 173.82 2kgg h ASP 14 N 2.81 0.00 -0.54 2.83 5.19 -2.06 -3.41 116.42 121.24 2kgg h ASP 14 Ca -0.32 -0.54 -0.43 0.00 -0.62 0.00 0.00 57.03 55.11 2kgg h ASP 14 Cb 1.22 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.69 2kgg h ASP 14 CO 0.45 1.31 1.41 0.29 -3.12 0.00 0.00 179.24 179.58 2kgg n LYS 15 N -4.49 2.00 -3.15 3.56 5.02 -1.26 -4.71 118.16 115.12 2kgg n LYS 15 Ca -0.25 -2.65 0.05 0.00 -2.02 0.00 0.00 58.31 53.44 2kgg n LYS 15 Cb 0.59 -3.65 -0.00 0.00 -0.02 0.00 0.00 35.03 31.95 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 9.14 -0.72 0.28 -0.18 0.11 -1.26 -5.16 120.40 122.62 2kgg s VAL 16 Ca 0.64 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.40 2kgg s VAL 16 Cb 0.01 -0.78 -0.10 0.00 -1.53 0.00 0.00 36.38 33.99 2kgg s VAL 16 CO 0.12 0.00 1.31 -1.81 -3.33 0.00 0.00 175.10 171.39 2kgg s ASP 17 N 2.88 6.82 0.26 3.54 1.11 -1.26 -5.05 116.67 124.97 2kgg s ASP 17 Ca 0.16 2.58 0.07 0.00 0.18 0.00 0.00 52.55 55.55 2kgg s ASP 17 Cb -0.08 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.24 2kgg s ASP 17 CO -0.23 -0.53 0.18 0.26 1.18 0.00 0.00 175.17 176.03 2kgg s TRP 18 N -0.67 3.06 -0.05 4.23 0.52 -1.26 -4.17 118.94 120.60 2kgg s TRP 18 Ca 0.52 -0.13 0.03 0.00 0.02 0.00 0.00 56.10 56.54 2kgg s TRP 18 Cb -0.39 -1.40 0.01 0.00 -1.15 0.00 0.00 33.47 30.53 2kgg s TRP 18 CO 0.47 0.51 -0.14 0.14 0.02 0.00 0.00 176.95 177.95 2kgg s VAL 19 N -2.16 1.23 -0.13 4.03 -7.23 -0.47 -4.97 120.40 110.71 2kgg s VAL 19 Ca 0.33 -0.57 -0.07 0.00 -1.81 0.00 0.00 61.98 59.86 2kgg s VAL 19 Cb -0.08 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2kgg s VAL 19 CO 0.25 0.37 0.13 -1.58 -0.31 0.00 0.00 175.10 173.96 2kgg s GLN 20 N 0.36 3.49 -0.61 4.82 0.74 -1.26 0.08 119.66 127.27 2kgg s GLN 20 Ca -0.09 -0.16 -0.23 0.00 0.05 0.00 0.00 55.36 54.93 2kgg s GLN 20 Cb -0.13 -3.19 0.06 0.00 1.10 0.00 0.00 33.01 30.85 2kgg s GLN 20 CO 0.03 0.73 0.94 0.00 -0.55 0.00 0.00 175.29 176.43 2kgg n ASP 22 N 7.53 2.12 0.06 0.00 9.92 -1.10 -2.87 116.55 132.21 2kgg n ASP 22 Ca -0.02 -2.09 0.11 0.00 -0.53 0.00 0.00 54.79 52.26 2kgg n ASP 22 Cb 0.46 -0.52 -0.01 0.00 -0.64 0.00 0.00 41.12 40.41 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 0.19 -1.32 0.00 0.44 0.00 -1.26 -4.95 105.19 98.29 2kgg n GLY 23 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.25 0.33 0.09 -0.02 0.00 -1.19 -4.99 105.19 100.66 2kgg n GLY 24 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.97 -5.41 -4.92 0.00 8.00 -1.14 -4.98 116.55 105.14 2kgg n ASP 26 Ca -0.10 0.46 -0.26 0.00 0.71 0.00 0.00 54.79 55.60 2kgg n ASP 26 Cb 0.88 -4.64 -0.02 0.00 -0.02 0.00 0.00 41.12 37.32 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 -3.75 3.56 -0.14 -1.24 2.02 -1.26 -4.83 118.70 113.06 2kgg s GLU 27 Ca 0.00 -0.07 -0.04 0.00 0.02 0.00 0.00 54.97 54.88 2kgg s GLU 27 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 2kgg s GLU 27 CO 0.00 0.08 -0.01 -1.58 0.02 0.00 0.00 175.26 173.77 2kgg s TRP 28 N -2.34 3.09 0.27 1.61 0.52 -1.26 -1.77 118.94 119.05 2kgg s TRP 28 Ca 0.43 -0.11 0.12 0.00 0.02 0.00 0.00 56.10 56.56 2kgg s TRP 28 Cb -0.10 -1.93 -0.05 0.00 -1.15 0.00 0.00 33.47 30.24 2kgg s TRP 28 CO 0.36 0.13 -0.20 -0.06 0.02 0.00 0.00 176.95 177.21 2kgg s PHE 29 N 0.01 2.23 -0.07 -1.98 0.40 0.11 -2.13 117.98 116.55 2kgg s PHE 29 Ca 0.02 -0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 55.83 2kgg s PHE 29 Cb -0.13 -0.98 -0.05 0.00 0.51 0.00 0.00 43.02 42.38 2kgg s PHE 29 CO 0.02 0.67 0.41 -1.01 0.70 0.00 0.00 175.22 176.01 2kgg s HIS 30 N -2.52 3.60 0.45 0.36 3.76 0.13 -1.37 115.29 119.70 2kgg s HIS 30 Ca 0.29 0.88 0.14 0.00 -0.15 0.00 0.00 55.06 56.22 2kgg s HIS 30 Cb -0.05 -2.39 1.07 0.00 1.11 0.00 0.00 32.58 32.32 2kgg s HIS 30 CO 0.14 0.40 2.00 1.96 -0.85 0.00 0.00 174.74 178.39 2kgg h GLN 31 N 5.81 0.34 0.07 1.40 4.20 -1.69 0.19 115.11 125.43 2kgg h GLN 31 Ca -0.46 -0.02 -0.24 0.00 0.06 0.00 0.00 58.65 57.99 2kgg h GLN 31 Cb 1.19 -0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.92 2kgg h GLN 31 CO 0.69 0.23 -1.00 -0.24 -0.67 0.00 0.00 178.83 177.84 2kgg h VAL 32 N 0.35 1.34 0.00 -0.54 3.04 -1.90 0.56 116.25 119.11 2kgg h VAL 32 Ca 0.24 -2.33 -0.15 0.00 -1.01 0.00 0.00 66.70 63.45 2kgg h VAL 32 Cb 0.48 2.67 -0.02 0.00 -2.01 0.00 0.00 31.29 32.41 2kgg h VAL 32 CO -0.06 0.70 -0.71 0.00 -1.01 0.00 0.00 177.57 176.49 2kgg n VAL 34 N -3.57 0.28 -2.98 0.00 3.14 -0.01 -4.46 118.33 110.72 2kgg n VAL 34 Ca -0.00 -0.64 -0.02 0.00 -2.96 0.00 0.00 64.34 60.72 2kgg n VAL 34 Cb 0.72 1.10 0.00 0.00 -1.06 0.00 0.00 33.84 34.61 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 0.92 -1.25 3.36 7.55 0.00 -0.78 -5.04 105.19 109.94 2kgg n GLY 35 Ca 0.11 0.66 -0.28 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.90 2.11 0.08 1.61 1.01 0.19 -5.01 120.40 117.48 2kgg s VAL 36 Ca 0.06 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.42 2kgg s VAL 36 Cb -0.02 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2kgg s VAL 36 CO 0.74 0.12 0.22 -0.94 0.00 0.00 0.00 175.10 175.24 2kgg s SER 37 N -1.84 6.36 0.28 3.32 1.04 -1.26 -4.58 113.70 117.00 2kgg s SER 37 Ca 0.12 0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.82 2kgg s SER 37 Cb -0.10 -1.95 0.63 0.00 0.10 0.00 0.00 66.02 64.70 2kgg s SER 37 CO 0.05 0.15 1.73 1.55 0.98 0.00 0.00 173.24 177.69 2kgg h PRO 38 N 2.92 0.48 -0.51 4.02 0.13 -1.99 0.36 132.00 137.41 2kgg h PRO 38 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kgg h PRO 38 Cb 1.17 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 2kgg h PRO 38 CO 0.75 0.32 0.33 0.93 -0.23 0.00 0.00 178.00 180.10 2kgg h GLU 39 N 0.50 0.67 -0.28 0.86 5.08 -1.99 -2.74 114.58 116.68 2kgg h GLU 39 Ca 0.51 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.73 2kgg h GLU 39 Cb 0.87 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2kgg h GLU 39 CO -0.45 0.45 -0.22 1.98 -1.00 0.00 0.00 179.01 179.77 2kgg h MET 40 N 0.69 0.65 -0.25 2.33 4.05 -1.29 -2.27 114.93 118.83 2kgg h MET 40 Ca 0.19 -0.32 0.02 0.00 -0.28 0.00 0.00 59.70 59.31 2kgg h MET 40 Cb -0.07 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 2kgg h MET 40 CO -0.04 0.92 0.10 0.00 0.23 0.00 0.00 176.91 178.11 2kgg h ALA 41 N 0.72 0.29 0.00 0.39 0.00 -1.38 -0.11 119.26 119.17 2kgg h ALA 41 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kgg h ALA 41 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2kgg h ALA 41 CO 0.06 -0.31 0.00 0.39 0.00 0.00 0.00 179.25 179.39 2kgg n GLU 42 N -5.02 0.20 0.00 0.00 1.02 -1.06 -4.46 120.64 111.31 2kgg n GLU 42 Ca -0.01 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2kgg n GLU 42 Cb 0.08 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 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 -2.10 2.48 -4.45 1.62 3.02 -0.86 -5.10 115.26 109.87 2kgg n ASN 43 Ca 0.05 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.37 2kgg n ASN 43 Cb 0.37 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.92 1.75 -0.20 3.52 2.02 -0.08 -5.08 118.70 118.72 2kgg s GLU 44 Ca 0.00 -1.99 -0.29 0.00 0.02 0.00 0.00 54.97 52.71 2kgg s GLU 44 Cb 0.00 -0.97 -0.03 0.00 0.10 0.00 0.00 34.13 33.23 2kgg s GLU 44 CO 0.00 -0.21 1.68 -0.51 0.02 0.00 0.00 175.26 176.24 2kgg s ASP 45 N -3.55 6.33 -0.57 -0.19 1.11 -1.26 -4.63 116.67 113.91 2kgg s ASP 45 Ca 0.33 1.73 -0.26 0.00 0.18 0.00 0.00 52.55 54.53 2kgg s ASP 45 Cb 0.08 -2.53 0.04 0.00 1.07 0.00 0.00 42.92 41.57 2kgg s ASP 45 CO 0.15 -1.28 1.09 -0.47 1.18 0.00 0.00 175.17 175.84 2kgg s TYR 46 N 5.31 2.67 -0.01 4.23 5.04 -1.26 -5.01 117.35 128.32 2kgg s TYR 46 Ca 0.74 0.20 -0.05 0.00 -2.44 0.00 0.00 57.07 55.53 2kgg s TYR 46 Cb -0.27 -4.33 -0.04 0.00 0.35 0.00 0.00 41.96 37.67 2kgg s TYR 46 CO 0.30 -1.51 0.22 0.42 -1.34 0.00 0.00 175.55 173.64 2kgg s ILE 47 N 4.55 5.38 0.55 3.14 -1.09 -1.26 -2.70 121.20 129.77 2kgg s ILE 47 Ca 0.37 0.00 0.07 0.00 -2.23 0.00 0.00 60.65 58.87 2kgg s ILE 47 Cb -0.10 -3.54 0.06 0.00 -1.58 0.00 0.00 42.46 37.30 2kgg s ILE 47 CO 0.22 0.36 0.58 0.00 -1.23 0.00 0.00 174.94 174.87 2kgg h ILE 49 N 0.50 0.97 -0.02 0.00 2.10 -2.00 -1.67 117.51 117.40 2kgg h ILE 49 Ca -0.34 -0.32 -0.26 0.00 1.08 0.00 0.00 64.86 65.02 2kgg h ILE 49 Cb 1.30 -0.05 0.02 0.00 -1.09 0.00 0.00 36.82 36.99 2kgg h ILE 49 CO 0.50 0.17 -1.01 0.78 -1.08 0.00 0.00 178.15 177.51 2kgg h ASN 50 N 0.94 0.92 0.16 2.19 4.21 -2.05 -3.20 115.58 118.76 2kgg h ASN 50 Ca 0.42 -0.72 -0.03 0.00 1.21 0.00 0.00 56.30 57.18 2kgg h ASN 50 Cb 0.32 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 37.23 2kgg h ASN 50 CO -0.22 1.52 -0.16 0.00 -1.29 0.00 0.00 177.43 177.28