#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 4.73 0.29 0.44 1.01 -1.26 -4.98 120.40 120.63 2kgg s VAL 2 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2kgg s VAL 2 Cb 0.00 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.37 2kgg s VAL 2 CO 0.00 0.54 0.39 0.00 0.00 0.00 0.00 175.10 176.04 2kgg s ALA 4 N -2.82 3.59 -0.29 0.00 0.00 -0.51 -4.92 121.76 116.81 2kgg s ALA 4 Ca 0.27 -0.62 -0.27 0.00 0.00 0.00 0.00 51.96 51.33 2kgg s ALA 4 Cb -0.02 -2.87 0.18 0.00 0.00 0.00 0.00 23.12 20.41 2kgg s ALA 4 CO 0.18 -0.74 1.37 0.00 0.00 0.00 0.00 175.76 176.57 2kgg s ALA 5 N 2.29 -2.16 0.27 0.00 0.00 -1.26 -4.20 121.76 116.71 2kgg s ALA 5 Ca 0.21 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.93 2kgg s ALA 5 Cb -0.16 -1.61 0.63 0.00 0.00 0.00 0.00 23.12 21.98 2kgg s ALA 5 CO 0.09 -0.17 1.68 1.96 0.00 0.00 0.00 175.76 179.33 2kgg h GLN 6 N 2.78 0.31 -3.27 0.00 4.20 -1.95 -3.29 115.11 113.89 2kgg h GLN 6 Ca -0.20 -0.02 -0.55 0.00 0.06 0.00 0.00 58.65 57.95 2kgg h GLN 6 Cb 1.19 -0.07 -0.40 0.00 0.30 0.00 0.00 27.48 28.50 2kgg h GLN 6 CO 0.20 0.21 -0.77 1.21 -0.67 0.00 0.00 178.83 179.01 2kgg s ASN 7 N -5.18 3.59 -0.29 1.46 2.47 -1.26 -5.10 114.94 110.62 2kgg s ASN 7 Ca -0.12 -1.32 -0.15 0.00 0.42 0.00 0.00 52.86 51.68 2kgg s ASN 7 Cb 0.24 -0.61 -0.03 0.00 -1.45 0.00 0.00 41.25 39.40 2kgg s ASN 7 CO 0.77 -0.40 0.39 0.00 -3.72 0.00 0.00 177.10 174.14 2kgg n GLN 9 N 5.39 0.03 -4.00 0.00 6.02 -1.26 -4.92 117.38 118.63 2kgg n GLN 9 Ca -0.08 0.25 -0.28 0.00 -0.01 0.00 0.00 57.00 56.88 2kgg n GLN 9 Cb 0.50 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.47 -2.46 -2.81 -1.09 0.63 -1.26 -4.95 116.66 103.24 2kgg n ARG 10 Ca 0.04 0.33 -0.41 0.00 -0.92 0.00 0.00 57.85 56.89 2kgg n ARG 10 Cb 0.15 -4.19 -0.05 0.00 0.45 0.00 0.00 32.46 28.83 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 -6.71 4.63 -0.18 -0.14 0.02 -1.26 -5.04 135.00 126.32 2kgg s PRO 11 Ca 0.08 1.32 -0.01 0.00 0.02 0.00 0.00 61.00 62.41 2kgg s PRO 11 Cb -0.03 -3.38 0.05 0.00 0.02 0.00 0.00 34.50 31.16 2kgg s PRO 11 CO 0.91 0.23 -0.03 0.00 -0.33 0.00 0.00 177.00 177.78 2kgg s LYS 13 N 1.66 1.30 -0.04 0.00 1.02 -1.26 -5.07 119.74 117.36 2kgg s LYS 13 Ca -0.00 -1.70 -0.16 0.00 0.02 0.00 0.00 55.97 54.13 2kgg s LYS 13 Cb -0.16 0.14 -0.09 0.00 -0.52 0.00 0.00 37.83 37.20 2kgg s LYS 13 CO -0.07 -0.39 0.66 -0.44 -0.92 0.00 0.00 175.35 174.18 2kgg h ASP 14 N 2.52 -0.44 -0.85 2.83 5.19 -2.07 -3.39 116.42 120.21 2kgg h ASP 14 Ca -0.36 -0.02 -0.45 0.00 -0.62 0.00 0.00 57.03 55.59 2kgg h ASP 14 Cb 1.25 0.11 -0.07 0.00 0.18 0.00 0.00 39.33 40.80 2kgg h ASP 14 CO 0.53 0.00 1.20 -0.54 -3.12 0.00 0.00 179.24 177.32 2kgg s LYS 15 N -3.36 3.07 -0.30 3.56 1.02 -1.26 -4.79 119.74 117.69 2kgg s LYS 15 Ca -0.08 -0.87 -0.08 0.00 0.02 0.00 0.00 55.97 54.95 2kgg s LYS 15 Cb 0.01 -5.24 0.19 0.00 -0.52 0.00 0.00 37.83 32.26 2kgg s LYS 15 CO 0.26 -2.91 0.97 0.54 -0.92 0.00 0.00 175.35 173.29 2kgg s VAL 16 N 7.72 -0.39 0.28 3.17 0.11 -1.26 -5.14 120.40 124.90 2kgg s VAL 16 Ca 0.59 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.35 2kgg s VAL 16 Cb -0.02 -0.40 -0.10 0.00 -1.53 0.00 0.00 36.38 34.32 2kgg s VAL 16 CO -0.02 0.00 1.23 -1.81 -3.33 0.00 0.00 175.10 171.18 2kgg s ASP 17 N 2.93 6.97 0.25 3.54 1.11 -1.26 -4.96 116.67 125.26 2kgg s ASP 17 Ca 0.24 2.47 0.06 0.00 0.18 0.00 0.00 52.55 55.51 2kgg s ASP 17 Cb -0.03 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.29 2kgg s ASP 17 CO -0.23 -0.40 0.26 0.26 1.18 0.00 0.00 175.17 176.24 2kgg s TRP 18 N -0.85 3.22 -0.02 4.23 0.52 -1.26 -4.29 118.94 120.49 2kgg s TRP 18 Ca 0.49 -0.09 0.05 0.00 0.02 0.00 0.00 56.10 56.58 2kgg s TRP 18 Cb -0.36 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.47 2kgg s TRP 18 CO 0.45 0.48 -0.18 0.14 0.02 0.00 0.00 176.95 177.86 2kgg s VAL 19 N -2.09 1.43 -0.09 4.03 -7.23 -0.27 -4.97 120.40 111.22 2kgg s VAL 19 Ca 0.34 -0.77 -0.01 0.00 -1.81 0.00 0.00 61.98 59.73 2kgg s VAL 19 Cb -0.08 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 2kgg s VAL 19 CO 0.26 0.41 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.84 2kgg s GLN 20 N -0.39 2.99 -0.54 4.82 0.74 -1.26 0.22 119.66 126.25 2kgg s GLN 20 Ca 0.06 -0.49 -0.22 0.00 0.05 0.00 0.00 55.36 54.76 2kgg s GLN 20 Cb -0.07 -2.72 0.05 0.00 1.10 0.00 0.00 33.01 31.36 2kgg s GLN 20 CO -0.00 0.60 0.84 0.00 -0.55 0.00 0.00 175.29 176.18 2kgg n ASP 22 N 7.04 2.49 0.03 0.00 8.00 -1.25 -2.15 116.55 130.70 2kgg n ASP 22 Ca -0.01 -2.29 0.11 0.00 0.71 0.00 0.00 54.79 53.31 2kgg n ASP 22 Cb 0.47 -0.56 0.08 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.14 -1.25 0.00 0.44 0.00 -1.26 -4.92 105.19 98.34 2kgg n GLY 23 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 1.39 0.45 0.08 -0.02 0.00 -1.23 -4.96 105.19 100.90 2kgg n GLY 24 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.09 -5.49 -4.93 0.00 8.00 -0.91 -4.98 116.55 105.14 2kgg n ASP 26 Ca -0.15 0.46 -0.25 0.00 0.71 0.00 0.00 54.79 55.56 2kgg n ASP 26 Cb 1.04 -4.63 0.01 0.00 -0.02 0.00 0.00 41.12 37.52 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 -3.57 3.13 -0.17 -1.24 2.02 -1.26 -4.80 118.70 112.81 2kgg s GLU 27 Ca 0.00 -0.20 -0.04 0.00 0.02 0.00 0.00 54.97 54.75 2kgg s GLU 27 Cb 0.00 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 2kgg s GLU 27 CO 0.00 -0.37 -0.02 -1.58 0.02 0.00 0.00 175.26 173.30 2kgg s TRP 28 N -2.71 3.04 0.27 1.61 0.52 -1.26 -2.09 118.94 118.32 2kgg s TRP 28 Ca 0.49 -0.31 0.12 0.00 0.02 0.00 0.00 56.10 56.42 2kgg s TRP 28 Cb -0.10 -1.99 -0.05 0.00 -1.15 0.00 0.00 33.47 30.18 2kgg s TRP 28 CO 0.41 -0.06 -0.20 -0.06 0.02 0.00 0.00 176.95 177.06 2kgg s PHE 29 N 0.48 2.27 -0.06 -1.98 0.40 0.13 -1.43 117.98 117.79 2kgg s PHE 29 Ca -0.03 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 55.84 2kgg s PHE 29 Cb -0.14 -0.99 -0.05 0.00 0.51 0.00 0.00 43.02 42.35 2kgg s PHE 29 CO 0.03 0.70 0.31 -1.01 0.70 0.00 0.00 175.22 175.94 2kgg s HIS 30 N -2.49 3.65 0.14 0.36 3.76 0.17 -1.11 115.29 119.77 2kgg s HIS 30 Ca 0.29 0.80 -0.19 0.00 -0.15 0.00 0.00 55.06 55.81 2kgg s HIS 30 Cb -0.05 -2.19 0.02 0.00 1.11 0.00 0.00 32.58 31.47 2kgg s HIS 30 CO 0.15 0.62 1.69 1.96 -0.85 0.00 0.00 174.74 178.30 2kgg h GLN 31 N 5.08 -0.01 -0.43 1.40 4.20 -1.68 -0.89 115.11 122.78 2kgg h GLN 31 Ca -0.51 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.10 2kgg h GLN 31 Cb 1.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 2kgg h GLN 31 CO 0.62 -0.00 -0.11 -0.24 -0.67 0.00 0.00 178.83 178.43 2kgg h VAL 32 N -0.01 1.27 0.00 -0.54 3.04 -1.90 0.78 116.25 118.91 2kgg h VAL 32 Ca 0.13 -1.22 -0.09 0.00 -1.01 0.00 0.00 66.70 64.51 2kgg h VAL 32 Cb 0.20 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.64 2kgg h VAL 32 CO -0.28 0.41 -0.42 0.00 -1.01 0.00 0.00 177.57 176.27 2kgg n VAL 34 N -3.73 1.24 -3.17 0.00 3.14 -0.36 -4.54 118.33 110.90 2kgg n VAL 34 Ca -0.01 -1.11 -0.18 0.00 -2.96 0.00 0.00 64.34 60.08 2kgg n VAL 34 Cb 0.49 0.38 0.05 0.00 -1.06 0.00 0.00 33.84 33.70 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 0.77 -0.21 3.90 7.55 0.00 -0.22 -5.02 105.19 111.96 2kgg n GLY 35 Ca 0.18 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.17 5.26 0.10 1.61 1.01 0.26 -4.99 120.40 120.48 2kgg s VAL 36 Ca 0.38 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2kgg s VAL 36 Cb -0.17 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2kgg s VAL 36 CO 0.47 0.12 0.25 -0.94 0.00 0.00 0.00 175.10 175.00 2kgg s SER 37 N -2.35 6.36 0.64 3.32 1.04 -1.26 -4.24 113.70 117.20 2kgg s SER 37 Ca 0.37 0.25 0.37 0.00 0.48 0.00 0.00 55.95 57.42 2kgg s SER 37 Cb -0.13 -1.95 2.10 0.00 0.10 0.00 0.00 66.02 66.15 2kgg s SER 37 CO 0.25 0.11 2.28 1.55 0.98 0.00 0.00 173.24 178.40 2kgg h PRO 38 N 2.65 0.00 -0.05 4.02 0.13 -1.99 0.02 132.00 136.78 2kgg h PRO 38 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 2kgg h PRO 38 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2kgg h PRO 38 CO 0.73 0.00 -0.74 1.49 -0.23 0.00 0.00 178.00 179.24 2kgg h GLU 39 N 0.00 0.32 -0.13 0.86 4.81 -2.01 -3.29 114.58 115.14 2kgg h GLU 39 Ca 0.01 -0.27 -0.23 0.00 -0.13 0.00 0.00 59.36 58.75 2kgg h GLU 39 Cb 0.10 0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.55 2kgg h GLU 39 CO -0.00 0.92 -0.81 1.98 -0.73 0.00 0.00 179.01 180.37 2kgg h MET 40 N 0.21 0.74 -0.34 1.92 4.05 -1.36 -2.82 114.93 117.33 2kgg h MET 40 Ca -0.03 -0.63 0.04 0.00 -0.28 0.00 0.00 59.70 58.81 2kgg h MET 40 Cb 1.31 0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 32.21 2kgg h MET 40 CO 0.12 1.23 0.09 0.00 0.23 0.00 0.00 176.91 178.59 2kgg h ALA 41 N 0.58 0.38 0.00 0.39 0.00 -1.60 0.19 119.26 119.20 2kgg h ALA 41 Ca -0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kgg h ALA 41 Cb 1.44 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2kgg h ALA 41 CO 0.16 -0.31 -0.64 0.39 0.00 0.00 0.00 179.25 178.85 2kgg n GLU 42 N -5.06 0.25 -0.05 0.00 1.02 -1.25 -4.46 120.64 111.10 2kgg n GLU 42 Ca 0.01 0.07 -0.05 0.00 -0.02 0.00 0.00 57.16 57.16 2kgg n GLU 42 Cb 0.14 -1.65 -0.08 0.00 -0.02 0.00 0.00 31.44 29.83 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 -2.01 2.57 -4.39 1.62 3.02 -1.00 -5.06 115.26 110.01 2kgg n ASN 43 Ca 0.03 -0.01 -0.19 0.00 -0.03 0.00 0.00 54.58 54.38 2kgg n ASN 43 Cb 0.42 0.63 -0.10 0.00 -0.61 0.00 0.00 39.78 40.12 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 -2.25 1.47 -0.28 3.52 2.02 0.63 -5.06 118.70 118.75 2kgg s GLU 44 Ca -0.07 -1.75 -0.29 0.00 0.02 0.00 0.00 54.97 52.88 2kgg s GLU 44 Cb 0.03 -0.87 -0.00 0.00 0.10 0.00 0.00 34.13 33.39 2kgg s GLU 44 CO 0.40 -0.05 1.33 -0.51 0.02 0.00 0.00 175.26 176.44 2kgg s ASP 45 N -3.39 6.66 -0.50 -0.19 1.01 -1.26 -4.57 116.67 114.43 2kgg s ASP 45 Ca 0.30 1.28 -0.29 0.00 0.71 0.00 0.00 52.55 54.55 2kgg s ASP 45 Cb 0.05 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.47 2kgg s ASP 45 CO 0.11 -1.08 1.18 -0.47 0.21 0.00 0.00 175.17 175.12 2kgg s TYR 46 N 4.40 2.72 0.06 4.23 5.04 -1.26 -5.01 117.35 127.52 2kgg s TYR 46 Ca 0.58 0.63 0.02 0.00 -2.44 0.00 0.00 57.07 55.86 2kgg s TYR 46 Cb -0.18 -4.46 -0.04 0.00 0.35 0.00 0.00 41.96 37.64 2kgg s TYR 46 CO 0.23 -1.42 0.07 0.42 -1.34 0.00 0.00 175.55 173.51 2kgg s ILE 47 N 4.70 4.54 0.53 3.14 -1.09 -1.26 -3.97 121.20 127.79 2kgg s ILE 47 Ca 0.48 -0.69 0.06 0.00 -2.23 0.00 0.00 60.65 58.27 2kgg s ILE 47 Cb -0.08 -3.15 0.03 0.00 -1.58 0.00 0.00 42.46 37.68 2kgg s ILE 47 CO 0.30 0.19 0.41 0.00 -1.23 0.00 0.00 174.94 174.61 2kgg h ILE 49 N 0.78 0.97 -0.02 0.00 2.10 -2.00 0.17 117.51 119.52 2kgg h ILE 49 Ca -0.37 -0.31 -0.18 0.00 1.08 0.00 0.00 64.86 65.08 2kgg h ILE 49 Cb 1.30 -0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.00 2kgg h ILE 49 CO 0.57 0.17 -0.80 0.78 -1.08 0.00 0.00 178.15 177.78 2kgg h ASN 50 N 0.90 0.25 0.90 2.19 4.21 -2.04 -3.07 115.58 118.92 2kgg h ASN 50 Ca 0.40 -0.19 -0.15 0.00 1.21 0.00 0.00 56.30 57.58 2kgg h ASN 50 Cb 0.30 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.40 2kgg h ASN 50 CO -0.22 0.95 -0.72 0.00 -1.29 0.00 0.00 177.43 176.15