#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 0.87 0.19 0.44 1.01 -1.26 -5.02 120.40 116.62 2kgg s VAL 2 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2kgg s VAL 2 Cb 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 36.38 35.59 2kgg s VAL 2 CO 0.00 0.30 0.25 0.00 0.00 0.00 0.00 175.10 175.65 2kgg s ALA 4 N -3.19 3.58 -0.30 0.00 0.00 -0.84 -5.00 121.76 116.01 2kgg s ALA 4 Ca 0.16 -0.70 -0.18 0.00 0.00 0.00 0.00 51.96 51.24 2kgg s ALA 4 Cb -0.01 -2.83 0.22 0.00 0.00 0.00 0.00 23.12 20.50 2kgg s ALA 4 CO 0.11 -0.73 1.34 0.00 0.00 0.00 0.00 175.76 176.48 2kgg s ALA 5 N 2.23 -2.63 0.27 0.00 0.00 -1.26 -4.29 121.76 116.08 2kgg s ALA 5 Ca 0.19 1.89 0.01 0.00 0.00 0.00 0.00 51.96 54.05 2kgg s ALA 5 Cb -0.16 -1.99 0.62 0.00 0.00 0.00 0.00 23.12 21.59 2kgg s ALA 5 CO 0.10 -0.26 1.73 1.96 0.00 0.00 0.00 175.76 179.28 2kgg h GLN 6 N 4.60 0.48 -4.06 0.00 4.20 -1.94 -3.24 115.11 115.15 2kgg h GLN 6 Ca -0.26 -0.03 -0.63 0.00 0.06 0.00 0.00 58.65 57.79 2kgg h GLN 6 Cb 1.16 -0.11 -0.40 0.00 0.30 0.00 0.00 27.48 28.43 2kgg h GLN 6 CO 0.23 0.32 -0.72 1.21 -0.67 0.00 0.00 178.83 179.20 2kgg s ASN 7 N -5.30 4.42 -0.27 1.46 3.84 -1.26 -5.08 114.94 112.75 2kgg s ASN 7 Ca -0.12 -2.20 -0.12 0.00 0.21 0.00 0.00 52.86 50.64 2kgg s ASN 7 Cb 0.23 -1.38 -0.05 0.00 -0.55 0.00 0.00 41.25 39.50 2kgg s ASN 7 CO 0.78 -0.36 0.22 0.00 -2.79 0.00 0.00 177.10 174.95 2kgg n GLN 9 N 4.94 0.10 -4.06 0.00 6.02 -1.26 -4.93 117.38 118.20 2kgg n GLN 9 Ca -0.13 0.19 -0.38 0.00 -0.01 0.00 0.00 57.00 56.67 2kgg n GLN 9 Cb 0.52 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.27 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 -1.40 -0.96 -3.22 -1.09 0.63 -1.26 -4.97 116.66 104.38 2kgg n ARG 10 Ca 0.05 0.18 -0.36 0.00 -0.92 0.00 0.00 57.85 56.81 2kgg n ARG 10 Cb 0.15 -3.29 -0.06 0.00 0.45 0.00 0.00 32.46 29.71 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 -7.09 4.11 -0.09 -0.14 0.02 -1.26 -5.08 135.00 125.47 2kgg s PRO 11 Ca 0.31 0.68 0.01 0.00 0.02 0.00 0.00 61.00 62.02 2kgg s PRO 11 Cb -0.15 -2.88 0.02 0.00 0.02 0.00 0.00 34.50 31.50 2kgg s PRO 11 CO 0.95 0.42 -0.12 0.00 -0.33 0.00 0.00 177.00 177.92 2kgg s LYS 13 N 1.04 0.87 0.00 0.00 1.02 -1.26 -5.01 119.74 116.41 2kgg s LYS 13 Ca -0.07 -1.16 0.27 0.00 0.02 0.00 0.00 55.97 55.04 2kgg s LYS 13 Cb -0.15 0.30 0.95 0.00 -0.52 0.00 0.00 37.83 38.41 2kgg s LYS 13 CO -0.01 -0.26 1.72 -0.25 -0.92 0.00 0.00 175.35 175.62 2kgg n ASP 14 N -0.06 0.26 -3.70 2.83 8.00 -1.26 -4.35 116.55 118.27 2kgg n ASP 14 Ca -0.11 0.06 -0.29 0.00 0.71 0.00 0.00 54.79 55.16 2kgg n ASP 14 Cb 0.62 -0.15 -0.12 0.00 -0.02 0.00 0.00 41.12 41.46 2kgg n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kgg s LYS 15 N -2.93 1.54 -0.30 -1.24 1.02 -1.26 -5.02 119.74 111.56 2kgg s LYS 15 Ca 0.15 -2.42 -0.10 0.00 0.02 0.00 0.00 55.97 53.63 2kgg s LYS 15 Cb 0.19 -2.45 0.18 0.00 -0.52 0.00 0.00 37.83 35.23 2kgg s LYS 15 CO 0.59 -1.25 0.98 0.54 -0.92 0.00 0.00 175.35 175.29 2kgg s VAL 16 N -0.23 -0.40 0.42 3.17 0.11 -1.26 -5.15 120.40 117.06 2kgg s VAL 16 Ca 0.23 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.04 2kgg s VAL 16 Cb -0.12 -0.69 -0.08 0.00 -1.53 0.00 0.00 36.38 33.95 2kgg s VAL 16 CO -0.09 0.00 1.10 -1.81 -3.33 0.00 0.00 175.10 170.97 2kgg s ASP 17 N 2.94 6.56 0.25 3.54 1.01 -1.26 -4.96 116.67 124.75 2kgg s ASP 17 Ca 0.13 2.15 0.08 0.00 0.71 0.00 0.00 52.55 55.62 2kgg s ASP 17 Cb -0.07 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 2kgg s ASP 17 CO -0.18 -0.64 0.15 0.26 0.21 0.00 0.00 175.17 174.97 2kgg s TRP 18 N -1.60 3.02 0.01 4.23 0.52 -1.26 -4.13 118.94 119.72 2kgg s TRP 18 Ca 0.59 -0.13 0.07 0.00 0.02 0.00 0.00 56.10 56.65 2kgg s TRP 18 Cb -0.25 -1.36 -0.02 0.00 -1.15 0.00 0.00 33.47 30.69 2kgg s TRP 18 CO 0.31 0.54 -0.22 0.14 0.02 0.00 0.00 176.95 177.74 2kgg s VAL 19 N -2.16 1.77 -0.06 4.03 -7.23 -0.35 -4.95 120.40 111.44 2kgg s VAL 19 Ca 0.32 -1.07 0.02 0.00 -1.81 0.00 0.00 61.98 59.44 2kgg s VAL 19 Cb -0.08 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 2kgg s VAL 19 CO 0.24 0.40 -0.11 -1.58 -0.31 0.00 0.00 175.10 173.74 2kgg s GLN 20 N -0.80 2.68 -0.53 4.82 0.74 -1.26 -0.14 119.66 125.17 2kgg s GLN 20 Ca 0.09 -0.62 -0.22 0.00 0.05 0.00 0.00 55.36 54.65 2kgg s GLN 20 Cb -0.09 -2.50 0.05 0.00 1.10 0.00 0.00 33.01 31.57 2kgg s GLN 20 CO 0.00 0.62 0.81 0.00 -0.55 0.00 0.00 175.29 176.17 2kgg n ASP 22 N 6.93 2.48 0.02 0.00 9.92 -1.18 -3.27 116.55 131.45 2kgg n ASP 22 Ca -0.02 -1.76 0.06 0.00 -0.53 0.00 0.00 54.79 52.54 2kgg n ASP 22 Cb 0.47 -0.44 -0.10 0.00 -0.64 0.00 0.00 41.12 40.40 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 0.52 -1.17 0.00 0.44 0.00 -1.26 -4.96 105.19 98.75 2kgg n GLY 23 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 1.34 -0.92 0.09 -0.02 0.00 -1.20 -5.00 105.19 99.47 2kgg n GLY 24 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.90 -5.07 -4.89 0.00 9.92 -1.20 -4.98 116.55 107.43 2kgg n ASP 26 Ca -0.24 0.26 -0.29 0.00 -0.53 0.00 0.00 54.79 53.99 2kgg n ASP 26 Cb 1.08 -3.48 0.02 0.00 -0.64 0.00 0.00 41.12 38.10 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 -2.72 3.28 -0.17 -1.24 2.02 -1.26 -4.83 118.70 113.79 2kgg s GLU 27 Ca 0.00 0.46 -0.01 0.00 0.02 0.00 0.00 54.97 55.44 2kgg s GLU 27 Cb 0.00 -2.15 -0.00 0.00 0.10 0.00 0.00 34.13 32.08 2kgg s GLU 27 CO 0.00 -0.65 -0.12 -1.58 0.02 0.00 0.00 175.26 172.93 2kgg s TRP 28 N -3.12 2.84 0.22 1.61 0.52 -1.26 -2.64 118.94 117.10 2kgg s TRP 28 Ca 0.54 -0.98 0.10 0.00 0.02 0.00 0.00 56.10 55.78 2kgg s TRP 28 Cb -0.11 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 2kgg s TRP 28 CO 0.50 -0.47 -0.11 -0.06 0.02 0.00 0.00 176.95 176.84 2kgg s PHE 29 N 0.95 2.56 0.04 -1.98 0.40 0.80 -1.98 117.98 118.77 2kgg s PHE 29 Ca -0.02 -0.25 -0.19 0.00 -0.60 0.00 0.00 56.93 55.87 2kgg s PHE 29 Cb -0.15 -1.20 -0.06 0.00 0.51 0.00 0.00 43.02 42.12 2kgg s PHE 29 CO -0.01 0.57 0.54 -1.01 0.70 0.00 0.00 175.22 176.01 2kgg s HIS 30 N -1.96 3.76 0.12 0.36 3.76 0.52 -1.21 115.29 120.63 2kgg s HIS 30 Ca 0.27 1.20 -0.21 0.00 -0.15 0.00 0.00 55.06 56.17 2kgg s HIS 30 Cb -0.08 -2.48 -0.05 0.00 1.11 0.00 0.00 32.58 31.08 2kgg s HIS 30 CO 0.16 0.54 1.71 1.96 -0.85 0.00 0.00 174.74 178.26 2kgg h GLN 31 N 4.83 0.01 -0.39 1.40 4.20 -1.69 -0.91 115.11 122.57 2kgg h GLN 31 Ca -0.49 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.11 2kgg h GLN 31 Cb 1.21 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 2kgg h GLN 31 CO 0.65 0.01 -0.21 -0.24 -0.67 0.00 0.00 178.83 178.37 2kgg h VAL 32 N 0.01 1.27 0.00 -0.54 3.04 -1.90 0.63 116.25 118.75 2kgg h VAL 32 Ca 0.08 -1.31 -0.09 0.00 -1.01 0.00 0.00 66.70 64.37 2kgg h VAL 32 Cb 0.11 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 2kgg h VAL 32 CO -0.16 0.44 -0.45 0.00 -1.01 0.00 0.00 177.57 176.39 2kgg n VAL 34 N -3.37 1.01 -3.18 0.00 3.14 -0.37 -4.67 118.33 110.90 2kgg n VAL 34 Ca 0.01 -1.00 -0.16 0.00 -2.96 0.00 0.00 64.34 60.23 2kgg n VAL 34 Cb 0.63 0.50 0.05 0.00 -1.06 0.00 0.00 33.84 33.95 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 0.73 -0.03 3.88 7.55 0.00 -0.24 -5.03 105.19 112.04 2kgg n GLY 35 Ca 0.14 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.19 5.22 0.06 1.61 1.01 0.20 -5.00 120.40 120.32 2kgg s VAL 36 Ca 0.37 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.54 2kgg s VAL 36 Cb -0.16 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2kgg s VAL 36 CO 0.46 0.30 0.27 -0.94 0.00 0.00 0.00 175.10 175.19 2kgg s SER 37 N -1.81 6.45 0.60 3.32 1.04 -1.26 -4.27 113.70 117.75 2kgg s SER 37 Ca 0.31 0.47 0.30 0.00 0.48 0.00 0.00 55.95 57.50 2kgg s SER 37 Cb -0.13 -2.05 1.72 0.00 0.10 0.00 0.00 66.02 65.66 2kgg s SER 37 CO 0.18 0.18 2.13 1.55 0.98 0.00 0.00 173.24 178.25 2kgg h PRO 38 N 3.41 0.00 0.00 4.02 0.13 -1.99 0.12 132.00 137.69 2kgg h PRO 38 Ca -0.47 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 2kgg h PRO 38 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2kgg h PRO 38 CO 0.71 0.00 -0.69 1.49 -0.23 0.00 0.00 178.00 179.28 2kgg h GLU 39 N 0.00 0.00 -0.08 0.86 4.81 -2.02 -3.26 114.58 114.90 2kgg h GLU 39 Ca 0.07 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.06 2kgg h GLU 39 Cb 0.41 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.80 2kgg h GLU 39 CO -0.00 0.69 -0.89 1.98 -0.73 0.00 0.00 179.01 180.06 2kgg h MET 40 N 0.00 0.70 -0.57 1.92 4.05 -1.15 -3.15 114.93 116.74 2kgg h MET 40 Ca -0.01 -0.65 0.06 0.00 -0.28 0.00 0.00 59.70 58.82 2kgg h MET 40 Cb 1.26 0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 32.17 2kgg h MET 40 CO 0.09 1.25 0.28 0.00 0.23 0.00 0.00 176.91 178.76 2kgg h ALA 41 N 0.54 0.74 0.00 0.39 0.00 -1.58 0.21 119.26 119.56 2kgg h ALA 41 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kgg h ALA 41 Cb 1.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2kgg h ALA 41 CO 0.18 -0.07 -0.51 0.39 0.00 0.00 0.00 179.25 179.23 2kgg n GLU 42 N -4.88 0.20 -0.00 0.00 1.02 -1.25 -4.41 120.64 111.32 2kgg n GLU 42 Ca 0.06 0.07 0.01 0.00 -0.02 0.00 0.00 57.16 57.28 2kgg n GLU 42 Cb 0.17 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 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 -1.93 4.33 -4.23 1.62 3.02 -1.01 -5.07 115.26 111.99 2kgg n ASN 43 Ca 0.04 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.46 2kgg n ASN 43 Cb 0.41 1.08 -0.10 0.00 -0.61 0.00 0.00 39.78 40.56 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 -2.19 1.08 -0.24 3.52 2.02 0.72 -5.06 118.70 118.54 2kgg s GLU 44 Ca -0.01 -1.51 -0.26 0.00 0.02 0.00 0.00 54.97 53.20 2kgg s GLU 44 Cb 0.02 -0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.00 2kgg s GLU 44 CO 0.12 -0.12 0.91 -0.51 0.02 0.00 0.00 175.26 175.67 2kgg s ASP 45 N -3.16 6.92 -0.33 -0.19 1.01 -1.26 -4.57 116.67 115.09 2kgg s ASP 45 Ca 0.23 1.14 -0.29 0.00 0.71 0.00 0.00 52.55 54.34 2kgg s ASP 45 Cb 0.06 -2.47 0.01 0.00 1.01 0.00 0.00 42.92 41.52 2kgg s ASP 45 CO 0.03 -0.58 1.27 -0.47 0.21 0.00 0.00 175.17 175.63 2kgg s TYR 46 N 2.99 2.72 -0.01 4.23 5.04 -1.26 -5.02 117.35 126.04 2kgg s TYR 46 Ca 0.38 0.87 0.02 0.00 -2.44 0.00 0.00 57.07 55.91 2kgg s TYR 46 Cb -0.15 -3.98 -0.03 0.00 0.35 0.00 0.00 41.96 38.15 2kgg s TYR 46 CO 0.07 -1.58 -0.05 0.42 -1.34 0.00 0.00 175.55 173.07 2kgg s ILE 47 N 4.42 3.80 0.46 3.14 -1.09 -1.26 -3.08 121.20 127.59 2kgg s ILE 47 Ca 0.55 -0.68 0.08 0.00 -2.23 0.00 0.00 60.65 58.36 2kgg s ILE 47 Cb -0.15 -2.65 0.01 0.00 -1.58 0.00 0.00 42.46 38.09 2kgg s ILE 47 CO 0.24 0.42 0.49 0.00 -1.23 0.00 0.00 174.94 174.86 2kgg h ILE 49 N 0.77 0.74 0.00 0.00 2.10 -2.00 0.20 117.51 119.31 2kgg h ILE 49 Ca -0.39 -0.22 -0.20 0.00 1.08 0.00 0.00 64.86 65.14 2kgg h ILE 49 Cb 1.28 0.06 -0.03 0.00 -1.09 0.00 0.00 36.82 37.04 2kgg h ILE 49 CO 0.52 0.11 -0.96 0.78 -1.08 0.00 0.00 178.15 177.52 2kgg h ASN 50 N 0.63 0.00 0.75 2.19 2.35 -2.05 -3.22 115.58 116.23 2kgg h ASN 50 Ca 0.50 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 56.05 2kgg h ASN 50 Cb 0.93 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 2kgg h ASN 50 CO -0.25 0.96 -0.91 0.00 -1.65 0.00 0.00 177.43 175.58