#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 1.75 0.17 2.46 1.01 -1.26 -4.92 120.40 119.60 2kgg s VAL 2 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2kgg s VAL 2 Cb 0.00 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.93 2kgg s VAL 2 CO 0.00 0.49 0.23 0.00 0.00 0.00 0.00 175.10 175.82 2kgg s ALA 4 N -2.47 3.59 -0.28 0.00 0.00 -0.54 -4.88 121.76 117.18 2kgg s ALA 4 Ca 0.16 -0.36 -0.28 0.00 0.00 0.00 0.00 51.96 51.49 2kgg s ALA 4 Cb -0.01 -3.22 0.18 0.00 0.00 0.00 0.00 23.12 20.07 2kgg s ALA 4 CO 0.11 -1.02 1.34 0.00 0.00 0.00 0.00 175.76 176.19 2kgg s ALA 5 N 2.79 -2.13 0.27 0.00 0.00 -1.26 -4.06 121.76 117.37 2kgg s ALA 5 Ca 0.31 1.79 -0.01 0.00 0.00 0.00 0.00 51.96 54.05 2kgg s ALA 5 Cb -0.15 -1.53 0.60 0.00 0.00 0.00 0.00 23.12 22.03 2kgg s ALA 5 CO 0.10 -0.20 1.69 1.96 0.00 0.00 0.00 175.76 179.32 2kgg h GLN 6 N 2.60 0.33 -3.63 0.00 4.20 -1.94 -3.33 115.11 113.35 2kgg h GLN 6 Ca -0.17 -0.02 -0.58 0.00 0.06 0.00 0.00 58.65 57.94 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 0.22 -0.76 1.21 -0.67 0.00 0.00 178.83 179.04 2kgg s ASN 7 N -5.22 3.93 -0.38 1.46 2.47 -1.26 -5.08 114.94 110.86 2kgg s ASN 7 Ca -0.12 -1.55 -0.15 0.00 0.42 0.00 0.00 52.86 51.46 2kgg s ASN 7 Cb 0.23 -0.88 0.01 0.00 -1.45 0.00 0.00 41.25 39.16 2kgg s ASN 7 CO 0.77 -0.39 0.35 0.00 -3.72 0.00 0.00 177.10 174.10 2kgg n GLN 9 N 5.33 0.06 -3.87 0.00 6.02 -1.26 -4.90 117.38 118.76 2kgg n GLN 9 Ca -0.10 0.38 -0.27 0.00 -0.01 0.00 0.00 57.00 57.00 2kgg n GLN 9 Cb 0.48 -1.63 0.02 0.00 1.02 0.00 0.00 30.24 30.13 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 -1.75 -4.85 -2.01 -1.09 1.74 -1.26 -4.90 116.66 102.54 2kgg n ARG 10 Ca 0.02 0.56 -0.42 0.00 -0.77 0.00 0.00 57.85 57.24 2kgg n ARG 10 Cb 0.14 -5.23 -0.03 0.00 -1.02 0.00 0.00 32.46 26.32 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 -6.42 4.25 -0.43 5.56 0.02 -1.26 -4.95 135.00 131.77 2kgg s PRO 11 Ca 0.36 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.65 2kgg s PRO 11 Cb -0.18 -3.16 0.12 0.00 0.02 0.00 0.00 34.50 31.30 2kgg s PRO 11 CO 0.84 -0.51 0.22 0.00 -0.33 0.00 0.00 177.00 177.22 2kgg s LYS 13 N 0.86 0.61 -0.04 0.00 1.02 -1.26 -5.05 119.74 115.88 2kgg s LYS 13 Ca 0.10 -0.93 -0.19 0.00 0.02 0.00 0.00 55.97 54.98 2kgg s LYS 13 Cb -0.22 -0.24 -0.32 0.00 -0.52 0.00 0.00 37.83 36.53 2kgg s LYS 13 CO -0.05 0.02 0.86 -0.44 -0.92 0.00 0.00 175.35 174.83 2kgg h ASP 14 N 4.04 0.56 -1.77 2.83 3.32 -2.06 -3.39 116.42 119.95 2kgg h ASP 14 Ca -0.35 -0.93 -0.66 0.00 0.02 0.00 0.00 57.03 55.10 2kgg h ASP 14 Cb 1.19 -0.18 -0.14 0.00 0.22 0.00 0.00 39.33 40.42 2kgg h ASP 14 CO 0.48 1.52 1.26 -0.54 -1.72 0.00 0.00 179.24 180.25 2kgg s LYS 15 N -2.48 3.69 -0.30 3.56 1.02 -1.26 -4.85 119.74 119.11 2kgg s LYS 15 Ca -0.13 -1.65 -0.10 0.00 0.02 0.00 0.00 55.97 54.10 2kgg s LYS 15 Cb 0.02 -5.15 0.18 0.00 -0.52 0.00 0.00 37.83 32.36 2kgg s LYS 15 CO 0.85 -1.97 0.91 0.54 -0.92 0.00 0.00 175.35 174.75 2kgg s VAL 16 N 3.52 -0.56 0.38 3.17 0.11 -1.26 -5.16 120.40 120.60 2kgg s VAL 16 Ca 0.41 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.21 2kgg s VAL 16 Cb -0.02 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.74 2kgg s VAL 16 CO -0.07 0.00 1.08 -1.81 -3.33 0.00 0.00 175.10 170.97 2kgg s ASP 17 N 2.82 6.78 0.26 3.54 1.01 -1.26 -5.04 116.67 124.77 2kgg s ASP 17 Ca 0.04 2.13 0.09 0.00 0.71 0.00 0.00 52.55 55.52 2kgg s ASP 17 Cb -0.11 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 2kgg s ASP 17 CO -0.15 -0.48 0.07 0.26 0.21 0.00 0.00 175.17 175.08 2kgg s TRP 18 N -1.54 2.85 -0.03 4.23 0.52 -1.26 -4.06 118.94 119.65 2kgg s TRP 18 Ca 0.56 -0.18 0.05 0.00 0.02 0.00 0.00 56.10 56.54 2kgg s TRP 18 Cb -0.25 -1.27 -0.01 0.00 -1.15 0.00 0.00 33.47 30.79 2kgg s TRP 18 CO 0.31 0.58 -0.17 0.14 0.02 0.00 0.00 176.95 177.84 2kgg s VAL 19 N -2.25 1.37 -0.10 4.03 -7.23 -0.11 -4.95 120.40 111.15 2kgg s VAL 19 Ca 0.32 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.75 2kgg s VAL 19 Cb -0.07 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 2kgg s VAL 19 CO 0.22 0.39 0.05 -1.58 -0.31 0.00 0.00 175.10 173.87 2kgg s GLN 20 N -0.12 3.21 -0.66 4.82 0.74 -1.26 0.13 119.66 126.52 2kgg s GLN 20 Ca 0.00 -0.32 -0.23 0.00 0.05 0.00 0.00 55.36 54.87 2kgg s GLN 20 Cb -0.09 -2.95 0.07 0.00 1.10 0.00 0.00 33.01 31.14 2kgg s GLN 20 CO 0.01 0.69 0.97 0.00 -0.55 0.00 0.00 175.29 176.41 2kgg n ASP 22 N 7.72 1.15 -0.97 0.00 9.92 -1.21 -1.36 116.55 131.81 2kgg n ASP 22 Ca -0.04 -2.04 0.11 0.00 -0.53 0.00 0.00 54.79 52.29 2kgg n ASP 22 Cb 0.45 -0.48 0.15 0.00 -0.64 0.00 0.00 41.12 40.61 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 0.06 1.31 0.00 0.44 0.00 -1.26 -4.93 105.19 100.81 2kgg n GLY 23 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.27 1.83 0.09 -0.02 0.00 -1.22 -4.90 105.19 102.24 2kgg n GLY 24 Ca 0.16 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.92 -5.57 -4.92 0.00 9.92 -0.46 -4.99 116.55 107.61 2kgg n ASP 26 Ca -0.24 0.40 -0.26 0.00 -0.53 0.00 0.00 54.79 54.16 2kgg n ASP 26 Cb 1.10 -4.83 0.03 0.00 -0.64 0.00 0.00 41.12 36.78 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 -4.02 2.93 -0.21 -1.24 2.02 -1.26 -4.73 118.70 112.18 2kgg s GLU 27 Ca 0.00 -0.03 -0.05 0.00 0.02 0.00 0.00 54.97 54.90 2kgg s GLU 27 Cb 0.00 -2.29 -0.02 0.00 0.10 0.00 0.00 34.13 31.92 2kgg s GLU 27 CO 0.00 -0.68 0.01 -1.58 0.02 0.00 0.00 175.26 173.03 2kgg s TRP 28 N -2.97 3.04 0.28 1.61 0.52 -1.26 -1.88 118.94 118.28 2kgg s TRP 28 Ca 0.54 -0.50 0.11 0.00 0.02 0.00 0.00 56.10 56.27 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 0.45 -0.29 -0.13 -0.06 0.02 0.00 0.00 176.95 176.93 2kgg s PHE 29 N 1.15 2.43 -0.03 -1.98 0.40 0.12 -1.47 117.98 118.60 2kgg s PHE 29 Ca 0.03 -0.30 -0.14 0.00 -0.60 0.00 0.00 56.93 55.93 2kgg s PHE 29 Cb -0.14 -1.06 -0.05 0.00 0.51 0.00 0.00 43.02 42.27 2kgg s PHE 29 CO 0.01 0.68 0.36 -1.01 0.70 0.00 0.00 175.22 175.97 2kgg s HIS 30 N -2.45 3.68 0.16 0.36 3.76 0.12 -0.94 115.29 119.98 2kgg s HIS 30 Ca 0.31 0.89 -0.16 0.00 -0.15 0.00 0.00 55.06 55.95 2kgg s HIS 30 Cb -0.05 -2.26 0.07 0.00 1.11 0.00 0.00 32.58 31.45 2kgg s HIS 30 CO 0.17 0.60 1.72 1.96 -0.85 0.00 0.00 174.74 178.34 2kgg h GLN 31 N 4.99 0.17 -0.33 1.40 4.20 -1.65 -0.94 115.11 122.95 2kgg h GLN 31 Ca -0.51 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.04 2kgg h GLN 31 Cb 1.22 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 2kgg h GLN 31 CO 0.63 0.11 -0.38 -0.24 -0.67 0.00 0.00 178.83 178.28 2kgg h VAL 32 N 0.17 1.28 0.00 -0.54 3.04 -1.89 0.90 116.25 119.22 2kgg h VAL 32 Ca 0.17 -1.55 -0.13 0.00 -1.01 0.00 0.00 66.70 64.18 2kgg h VAL 32 Cb 0.20 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.89 2kgg h VAL 32 CO -0.24 0.51 -0.61 0.00 -1.01 0.00 0.00 177.57 176.22 2kgg n VAL 34 N -3.66 0.76 -3.30 0.00 3.14 -0.38 -4.44 118.33 110.45 2kgg n VAL 34 Ca -0.01 -0.88 -0.17 0.00 -2.96 0.00 0.00 64.34 60.32 2kgg n VAL 34 Cb 0.64 0.70 0.07 0.00 -1.06 0.00 0.00 33.84 34.20 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 1.02 -0.26 3.89 7.55 0.00 -0.26 -5.04 105.19 112.09 2kgg n GLY 35 Ca 0.16 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.28 5.21 0.12 1.61 1.01 0.30 -4.99 120.40 120.37 2kgg s VAL 36 Ca 0.24 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.32 2kgg s VAL 36 Cb -0.11 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2kgg s VAL 36 CO 0.61 0.15 0.23 -0.94 0.00 0.00 0.00 175.10 175.15 2kgg s SER 37 N -2.19 6.22 0.32 3.32 1.04 -1.26 -4.32 113.70 116.83 2kgg s SER 37 Ca 0.36 0.16 0.10 0.00 0.48 0.00 0.00 55.95 57.06 2kgg s SER 37 Cb -0.13 -1.86 0.90 0.00 0.10 0.00 0.00 66.02 65.03 2kgg s SER 37 CO 0.22 0.10 1.73 1.55 0.98 0.00 0.00 173.24 177.82 2kgg h PRO 38 N 2.54 0.55 -0.06 4.02 0.13 -1.99 0.13 132.00 137.32 2kgg h PRO 38 Ca -0.47 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 2kgg h PRO 38 Cb 1.18 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2kgg h PRO 38 CO 0.70 0.37 -0.26 0.93 -0.23 0.00 0.00 178.00 179.51 2kgg h GLU 39 N 0.57 0.11 -0.06 0.86 5.08 -1.98 -2.39 114.58 116.77 2kgg h GLU 39 Ca 0.64 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.80 2kgg h GLU 39 Cb 1.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2kgg h GLU 39 CO -0.47 0.37 -0.72 1.98 -1.00 0.00 0.00 179.01 179.17 2kgg h MET 40 N 0.10 0.32 -0.16 2.33 4.05 -1.09 0.38 114.93 120.85 2kgg h MET 40 Ca 0.02 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.16 2kgg h MET 40 Cb 0.52 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 2kgg h MET 40 CO 0.04 0.91 0.05 0.00 0.23 0.00 0.00 176.91 178.14 2kgg h ALA 41 N 1.01 0.21 0.00 0.39 0.00 -1.38 -2.21 119.26 117.28 2kgg h ALA 41 Ca -0.03 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.55 2kgg h ALA 41 Cb 1.29 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2kgg h ALA 41 CO 0.12 -0.17 -1.32 0.93 0.00 0.00 0.00 179.25 178.81 2kgg h GLU 42 N 0.09 0.00 0.00 0.00 5.08 -1.33 -3.40 114.58 115.02 2kgg h GLU 42 Ca 0.05 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 2kgg h GLU 42 Cb 0.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2kgg h GLU 42 CO -0.00 0.52 -1.90 0.09 -1.00 0.00 0.00 179.01 176.71 2kgg n ASN 43 N -3.07 1.50 -4.38 1.42 4.13 0.13 -5.04 115.26 109.95 2kgg n ASN 43 Ca -0.09 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 55.93 2kgg n ASN 43 Cb 0.92 1.07 -0.10 0.00 -1.54 0.00 0.00 39.78 40.13 2kgg n ASN 43 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2kgg s GLU 44 N -2.53 1.80 -0.33 3.52 2.02 -0.83 -5.02 118.70 117.33 2kgg s GLU 44 Ca -0.07 -2.05 -0.24 0.00 0.02 0.00 0.00 54.97 52.63 2kgg s GLU 44 Cb 0.06 -0.87 0.01 0.00 0.10 0.00 0.00 34.13 33.42 2kgg s GLU 44 CO 0.60 -0.29 0.82 -0.51 0.02 0.00 0.00 175.26 175.89 2kgg s ASP 45 N -3.57 6.65 -0.30 -0.19 1.11 -1.26 -4.57 116.67 114.54 2kgg s ASP 45 Ca 0.30 0.59 -0.29 0.00 0.18 0.00 0.00 52.55 53.32 2kgg s ASP 45 Cb 0.06 -2.42 -0.00 0.00 1.07 0.00 0.00 42.92 41.63 2kgg s ASP 45 CO 0.14 -0.69 1.33 -0.47 1.18 0.00 0.00 175.17 176.66 2kgg s TYR 46 N 3.09 2.64 0.02 4.23 5.04 -1.26 -5.01 117.35 126.10 2kgg s TYR 46 Ca 0.33 0.84 0.03 0.00 -2.44 0.00 0.00 57.07 55.84 2kgg s TYR 46 Cb -0.13 -3.92 -0.04 0.00 0.35 0.00 0.00 41.96 38.22 2kgg s TYR 46 CO 0.15 -1.80 -0.05 0.42 -1.34 0.00 0.00 175.55 172.93 2kgg s ILE 47 N 4.45 3.78 0.56 3.14 -1.09 -1.26 -3.29 121.20 127.50 2kgg s ILE 47 Ca 0.57 -0.81 0.05 0.00 -2.23 0.00 0.00 60.65 58.23 2kgg s ILE 47 Cb -0.17 -2.69 0.05 0.00 -1.58 0.00 0.00 42.46 38.07 2kgg s ILE 47 CO 0.24 0.32 0.43 0.00 -1.23 0.00 0.00 174.94 174.70 2kgg h ILE 49 N 0.69 0.94 0.01 0.00 2.10 -2.00 0.23 117.51 119.47 2kgg h ILE 49 Ca -0.36 -0.35 -0.20 0.00 1.08 0.00 0.00 64.86 65.04 2kgg h ILE 49 Cb 1.31 -0.16 -0.02 0.00 -1.09 0.00 0.00 36.82 36.86 2kgg h ILE 49 CO 0.56 0.18 -0.92 0.78 -1.08 0.00 0.00 178.15 177.67 2kgg h ASN 50 N 1.01 0.05 0.83 2.19 4.21 -2.03 -3.14 115.58 118.70 2kgg h ASN 50 Ca 0.48 -0.04 -0.20 0.00 1.21 0.00 0.00 56.30 57.75 2kgg h ASN 50 Cb 0.44 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 2kgg h ASN 50 CO -0.25 0.94 -0.96 0.00 -1.29 0.00 0.00 177.43 175.87