#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 1.69 0.18 0.44 1.01 -1.26 -5.05 120.40 117.41 2kgg s VAL 2 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2kgg s VAL 2 Cb 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 35.02 2kgg s VAL 2 CO 0.00 0.48 0.25 0.00 0.00 0.00 0.00 175.10 175.83 2kgg s ALA 4 N -3.28 3.55 -0.30 0.00 0.00 -0.59 -5.01 121.76 116.13 2kgg s ALA 4 Ca 0.15 -0.82 -0.21 0.00 0.00 0.00 0.00 51.96 51.08 2kgg s ALA 4 Cb -0.01 -2.81 0.19 0.00 0.00 0.00 0.00 23.12 20.49 2kgg s ALA 4 CO 0.10 -0.80 1.31 0.00 0.00 0.00 0.00 175.76 176.37 2kgg s ALA 5 N 2.18 -2.37 0.26 0.00 0.00 -1.26 -4.14 121.76 116.43 2kgg s ALA 5 Ca 0.17 1.85 -0.02 0.00 0.00 0.00 0.00 51.96 53.96 2kgg s ALA 5 Cb -0.16 -1.83 0.53 0.00 0.00 0.00 0.00 23.12 21.66 2kgg s ALA 5 CO 0.10 -0.21 1.74 1.96 0.00 0.00 0.00 175.76 179.36 2kgg h GLN 6 N 4.19 0.51 -4.57 0.00 1.08 -1.95 -3.32 115.11 111.05 2kgg h GLN 6 Ca -0.27 -0.03 -0.65 0.00 -1.45 0.00 0.00 58.65 56.25 2kgg h GLN 6 Cb 1.18 -0.11 -0.39 0.00 -0.05 0.00 0.00 27.48 28.10 2kgg h GLN 6 CO 0.20 0.33 -0.75 1.21 -0.95 0.00 0.00 178.83 178.87 2kgg s ASN 7 N -5.36 4.53 -0.23 1.46 3.84 -1.26 -5.09 114.94 112.84 2kgg s ASN 7 Ca -0.12 -1.84 -0.06 0.00 0.21 0.00 0.00 52.86 51.04 2kgg s ASN 7 Cb 0.22 -1.48 -0.03 0.00 -0.55 0.00 0.00 41.25 39.41 2kgg s ASN 7 CO 0.77 -0.33 0.03 0.00 -2.79 0.00 0.00 177.10 174.79 2kgg n GLN 9 N 4.60 0.15 -3.79 0.00 6.02 -1.26 -4.95 117.38 118.14 2kgg n GLN 9 Ca -0.17 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.49 2kgg n GLN 9 Cb 0.51 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.30 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 -1.42 -0.93 -2.54 -1.09 0.63 -1.26 -4.95 116.66 105.10 2kgg n ARG 10 Ca 0.09 0.42 -0.41 0.00 -0.92 0.00 0.00 57.85 57.03 2kgg n ARG 10 Cb 0.30 -3.44 -0.04 0.00 0.45 0.00 0.00 32.46 29.73 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 -6.18 4.55 -0.31 -0.14 0.02 -1.26 -5.03 135.00 126.65 2kgg s PRO 11 Ca 0.40 1.66 0.02 0.00 0.02 0.00 0.00 61.00 63.10 2kgg s PRO 11 Cb -0.17 -3.34 0.09 0.00 0.02 0.00 0.00 34.50 31.10 2kgg s PRO 11 CO 0.90 -0.03 0.03 0.00 -0.33 0.00 0.00 177.00 177.56 2kgg s LYS 13 N 1.17 0.63 -0.15 0.00 1.02 -1.26 -5.09 119.74 116.06 2kgg s LYS 13 Ca 0.06 -1.16 -0.27 0.00 0.02 0.00 0.00 55.97 54.62 2kgg s LYS 13 Cb -0.19 0.23 -0.25 0.00 -0.52 0.00 0.00 37.83 37.10 2kgg s LYS 13 CO -0.11 -0.13 0.66 -0.44 -0.92 0.00 0.00 175.35 174.41 2kgg h ASP 14 N 3.15 0.00 0.00 2.83 3.32 -2.05 -3.34 116.42 120.32 2kgg h ASP 14 Ca -0.34 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 55.81 2kgg h ASP 14 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2kgg h ASP 14 CO 0.64 1.08 0.00 0.29 -1.72 0.00 0.00 179.24 179.53 2kgg n LYS 15 N -4.58 0.67 -3.56 3.56 5.02 -1.26 -4.74 118.16 113.28 2kgg n LYS 15 Ca -0.14 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.74 2kgg n LYS 15 Cb 0.51 -1.30 -0.11 0.00 -0.02 0.00 0.00 35.03 34.12 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 -1.12 4.84 0.46 -0.18 0.11 -1.26 -5.07 120.40 118.18 2kgg s VAL 16 Ca 0.00 -0.70 -0.23 0.00 -2.93 0.00 0.00 61.98 58.13 2kgg s VAL 16 Cb 0.00 -3.65 -0.08 0.00 -1.53 0.00 0.00 36.38 31.12 2kgg s VAL 16 CO 0.00 -0.20 1.13 -0.62 -3.33 0.00 0.00 175.10 172.07 2kgg s ASP 17 N 1.61 6.27 0.25 3.54 2.15 -1.26 -4.98 116.67 124.25 2kgg s ASP 17 Ca 0.04 2.20 0.10 0.00 0.43 0.00 0.00 52.55 55.31 2kgg s ASP 17 Cb -0.19 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 39.80 2kgg s ASP 17 CO 0.08 -0.84 -0.03 0.26 -0.17 0.00 0.00 175.17 174.47 2kgg s TRP 18 N -1.63 2.66 -0.03 -5.34 0.52 -1.26 -4.09 118.94 109.77 2kgg s TRP 18 Ca 0.63 -0.23 0.05 0.00 0.02 0.00 0.00 56.10 56.58 2kgg s TRP 18 Cb -0.26 -1.19 -0.01 0.00 -1.15 0.00 0.00 33.47 30.86 2kgg s TRP 18 CO 0.31 0.61 -0.19 0.14 0.02 0.00 0.00 176.95 177.84 2kgg s VAL 19 N -2.25 1.57 -0.08 4.03 -7.23 -0.36 -4.96 120.40 111.11 2kgg s VAL 19 Ca 0.30 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 2kgg s VAL 19 Cb -0.07 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 2kgg s VAL 19 CO 0.19 0.45 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.77 2kgg s GLN 20 N -0.23 2.88 -0.57 4.82 0.74 -1.26 0.03 119.66 126.08 2kgg s GLN 20 Ca 0.02 -0.55 -0.20 0.00 0.05 0.00 0.00 55.36 54.68 2kgg s GLN 20 Cb -0.10 -2.63 0.08 0.00 1.10 0.00 0.00 33.01 31.46 2kgg s GLN 20 CO 0.01 0.59 0.72 0.00 -0.55 0.00 0.00 175.29 176.06 2kgg n ASP 22 N 6.51 2.94 -0.98 0.00 8.00 -1.25 -1.24 116.55 130.53 2kgg n ASP 22 Ca -0.07 -2.43 0.12 0.00 0.71 0.00 0.00 54.79 53.12 2kgg n ASP 22 Cb 0.44 -0.59 0.17 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.07 1.15 0.00 0.44 0.00 -1.26 -4.92 105.19 100.68 2kgg n GLY 23 Ca 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 2.13 0.10 -0.02 0.00 -1.24 -4.90 105.19 102.63 2kgg n GLY 24 Ca 0.16 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.19 -5.58 -4.92 0.00 8.00 -0.37 -4.98 116.55 105.51 2kgg n ASP 26 Ca -0.19 0.44 -0.26 0.00 0.71 0.00 0.00 54.79 55.49 2kgg n ASP 26 Cb 1.05 -4.88 0.02 0.00 -0.02 0.00 0.00 41.12 37.28 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 -3.95 3.08 -0.19 -1.24 2.02 -1.26 -4.75 118.70 112.41 2kgg s GLU 27 Ca 0.00 -0.08 -0.07 0.00 0.02 0.00 0.00 54.97 54.85 2kgg s GLU 27 Cb 0.00 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 2kgg s GLU 27 CO 0.00 -0.49 0.05 -1.58 0.02 0.00 0.00 175.26 173.25 2kgg s TRP 28 N -2.83 3.16 0.20 1.61 0.52 -1.26 -2.27 118.94 118.07 2kgg s TRP 28 Ca 0.51 -0.11 0.10 0.00 0.02 0.00 0.00 56.10 56.62 2kgg s TRP 28 Cb -0.10 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 2kgg s TRP 28 CO 0.43 -0.01 -0.16 -0.06 0.02 0.00 0.00 176.95 177.18 2kgg s PHE 29 N 0.67 2.47 -0.02 -1.98 0.40 0.10 -1.55 117.98 118.08 2kgg s PHE 29 Ca 0.02 -0.29 -0.16 0.00 -0.60 0.00 0.00 56.93 55.91 2kgg s PHE 29 Cb -0.13 -1.19 -0.06 0.00 0.51 0.00 0.00 43.02 42.15 2kgg s PHE 29 CO 0.02 0.53 0.44 -1.01 0.70 0.00 0.00 175.22 175.90 2kgg s HIS 30 N -1.80 3.69 0.15 0.36 3.76 0.22 -1.23 115.29 120.45 2kgg s HIS 30 Ca 0.24 1.00 -0.20 0.00 -0.15 0.00 0.00 55.06 55.95 2kgg s HIS 30 Cb -0.08 -2.37 0.04 0.00 1.11 0.00 0.00 32.58 31.28 2kgg s HIS 30 CO 0.13 0.53 1.65 1.96 -0.85 0.00 0.00 174.74 178.17 2kgg h GLN 31 N 5.14 -0.14 -0.32 1.40 4.20 -1.69 -0.74 115.11 122.95 2kgg h GLN 31 Ca -0.49 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.10 2kgg h GLN 31 Cb 1.21 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 2kgg h GLN 31 CO 0.65 -0.10 -0.31 -0.24 -0.67 0.00 0.00 178.83 178.16 2kgg h VAL 32 N -0.15 1.28 0.00 -0.54 3.04 -1.91 0.70 116.25 118.67 2kgg h VAL 32 Ca 0.14 -1.45 -0.10 0.00 -1.01 0.00 0.00 66.70 64.29 2kgg h VAL 32 Cb 0.37 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 2kgg h VAL 32 CO -0.36 0.47 -0.46 0.00 -1.01 0.00 0.00 177.57 176.22 2kgg n VAL 34 N -3.61 1.40 -2.95 0.00 3.14 -0.31 -4.53 118.33 111.47 2kgg n VAL 34 Ca -0.00 -1.24 -0.18 0.00 -2.96 0.00 0.00 64.34 59.95 2kgg n VAL 34 Cb 0.55 0.28 0.03 0.00 -1.06 0.00 0.00 33.84 33.64 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 0.34 -0.27 3.88 7.55 0.00 0.07 -5.03 105.19 111.73 2kgg n GLY 35 Ca 0.16 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.08 5.09 0.09 1.61 1.01 0.22 -4.99 120.40 120.35 2kgg s VAL 36 Ca 0.28 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.61 2kgg s VAL 36 Cb -0.12 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2kgg s VAL 36 CO 0.35 0.15 0.11 -0.94 0.00 0.00 0.00 175.10 174.77 2kgg s SER 37 N -2.07 5.70 0.33 3.32 1.04 -1.26 -4.31 113.70 116.45 2kgg s SER 37 Ca 0.38 0.03 0.12 0.00 0.48 0.00 0.00 55.95 56.96 2kgg s SER 37 Cb -0.13 -1.58 0.96 0.00 0.10 0.00 0.00 66.02 65.37 2kgg s SER 37 CO 0.21 0.16 1.72 1.55 0.98 0.00 0.00 173.24 177.85 2kgg h PRO 38 N 3.13 0.49 -0.92 4.02 0.13 -1.99 0.14 132.00 137.00 2kgg h PRO 38 Ca -0.47 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2kgg h PRO 38 Cb 1.17 -0.11 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 2kgg h PRO 38 CO 0.67 0.32 0.60 1.49 -0.23 0.00 0.00 178.00 180.85 2kgg h GLU 39 N 0.50 1.07 -0.21 0.86 4.81 -1.99 -2.78 114.58 116.84 2kgg h GLU 39 Ca 0.67 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 59.63 2kgg h GLU 39 Cb 1.37 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2kgg h GLU 39 CO -0.49 0.71 -0.66 1.98 -0.73 0.00 0.00 179.01 179.82 2kgg h MET 40 N 1.10 0.81 -0.19 1.92 4.05 -1.08 0.68 114.93 122.21 2kgg h MET 40 Ca 0.38 -0.58 0.02 0.00 -0.28 0.00 0.00 59.70 59.24 2kgg h MET 40 Cb 0.10 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 2kgg h MET 40 CO -0.13 1.20 0.04 0.00 0.23 0.00 0.00 176.91 178.25 2kgg h ALA 41 N 0.65 0.20 0.00 0.39 0.00 -1.37 -1.60 119.26 117.52 2kgg h ALA 41 Ca -0.02 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2kgg h ALA 41 Cb 1.28 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2kgg h ALA 41 CO 0.14 -0.39 -1.29 0.39 0.00 0.00 0.00 179.25 178.10 2kgg n GLU 42 N -5.08 0.62 -0.07 0.00 1.02 -1.07 -4.45 120.64 111.61 2kgg n GLU 42 Ca -0.03 0.19 -0.06 0.00 -0.02 0.00 0.00 57.16 57.25 2kgg n GLU 42 Cb 0.09 -1.81 -0.15 0.00 -0.02 0.00 0.00 31.44 29.54 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 -2.82 0.13 -3.32 1.62 4.13 0.23 -5.03 115.26 110.19 2kgg n ASN 43 Ca -0.07 0.06 -0.20 0.00 1.68 0.00 0.00 54.58 56.05 2kgg n ASN 43 Cb 0.75 1.02 -0.08 0.00 -1.54 0.00 0.00 39.78 39.94 2kgg n ASN 43 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2kgg n GLU 44 N -2.70 0.43 -2.83 3.52 1.02 -0.61 -5.04 120.64 114.44 2kgg n GLU 44 Ca -0.25 -3.38 -0.42 0.00 -0.02 0.00 0.00 57.16 53.08 2kgg n GLU 44 Cb 1.03 2.68 -0.04 0.00 -0.02 0.00 0.00 31.44 35.09 2kgg n GLU 44 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kgg s ASP 45 N -3.37 6.83 -0.44 1.62 2.15 -1.26 -4.58 116.67 117.60 2kgg s ASP 45 Ca 0.38 0.95 -0.23 0.00 0.43 0.00 0.00 52.55 54.08 2kgg s ASP 45 Cb 0.02 -2.46 0.02 0.00 -0.30 0.00 0.00 42.92 40.20 2kgg s ASP 45 CO 0.27 -0.64 0.79 -0.47 -0.17 0.00 0.00 175.17 174.95 2kgg s TYR 46 N 3.09 3.00 -0.06 -5.34 5.04 -1.26 -5.04 117.35 116.77 2kgg s TYR 46 Ca 0.37 0.21 -0.00 0.00 -2.44 0.00 0.00 57.07 55.20 2kgg s TYR 46 Cb -0.14 -3.66 -0.03 0.00 0.35 0.00 0.00 41.96 38.48 2kgg s TYR 46 CO 0.11 -0.97 -0.01 0.42 -1.34 0.00 0.00 175.55 173.75 2kgg s ILE 47 N 3.30 4.15 0.58 3.14 -1.09 -1.26 -3.81 121.20 126.20 2kgg s ILE 47 Ca 0.30 -0.38 0.07 0.00 -2.23 0.00 0.00 60.65 58.41 2kgg s ILE 47 Cb -0.12 -2.76 0.08 0.00 -1.58 0.00 0.00 42.46 38.08 2kgg s ILE 47 CO 0.22 0.55 0.80 0.00 -1.23 0.00 0.00 174.94 175.28 2kgg h ILE 49 N 0.09 0.82 0.13 0.00 2.10 -2.00 0.18 117.51 118.84 2kgg h ILE 49 Ca -0.33 -0.21 -0.29 0.00 1.08 0.00 0.00 64.86 65.11 2kgg h ILE 49 Cb 1.28 0.16 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 2kgg h ILE 49 CO 0.42 0.11 -1.38 0.78 -1.08 0.00 0.00 178.15 177.00 2kgg h ASN 50 N 0.61 0.45 1.08 2.19 4.21 -2.03 -3.24 115.58 118.84 2kgg h ASN 50 Ca 0.42 -0.53 -0.08 0.00 1.21 0.00 0.00 56.30 57.33 2kgg h ASN 50 Cb 0.76 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 2kgg h ASN 50 CO -0.18 1.42 -0.36 0.00 -1.29 0.00 0.00 177.43 177.02