#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx6 s SER 2 N 0.00 1.71 -0.58 0.41 0.01 -1.26 -5.06 113.70 108.93 1kx6 s SER 2 Ca 0.00 -0.17 0.06 0.00 1.31 0.00 0.00 55.95 57.15 1kx6 s SER 2 Cb 0.00 -0.41 0.22 0.00 0.21 0.00 0.00 66.02 66.04 1kx6 s SER 2 CO 0.00 -0.22 0.58 0.00 0.41 0.00 0.00 173.24 174.01 1kx6 n GLN 3 N 5.16 1.70 0.00 12.44 6.02 -1.26 -5.00 117.38 136.44 1kx6 n GLN 3 Ca -0.07 -4.16 0.00 0.00 -0.01 0.00 0.00 57.00 52.76 1kx6 n GLN 3 Cb 0.50 -2.00 0.00 0.00 1.02 0.00 0.00 30.24 29.76 1kx6 n GLN 3 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kx6 n GLY 4 N 1.52 3.85 2.90 1.08 0.00 -1.26 -5.08 105.19 108.20 1kx6 n GLY 4 Ca 0.26 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1kx6 n GLY 4 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kx6 n THR 5 N 0.00 0.00 -1.84 2.61 -2.24 -1.26 -4.89 114.28 106.66 1kx6 n THR 5 Ca 0.00 -0.48 -0.19 0.00 -2.27 0.00 0.00 64.05 61.11 1kx6 n THR 5 Cb 0.00 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.30 1kx6 n THR 5 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1kx6 n PHE 6 N -2.31 2.25 -3.84 4.78 -1.74 -1.26 -5.01 117.46 110.32 1kx6 n PHE 6 Ca -0.01 -2.15 -0.09 0.00 -0.56 0.00 0.00 57.45 54.64 1kx6 n PHE 6 Cb 0.53 -0.46 -0.07 0.00 1.52 0.00 0.00 39.48 41.00 1kx6 n PHE 6 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1kx6 s THR 7 N -4.30 0.13 0.37 1.97 -1.32 -1.26 -5.12 115.64 106.10 1kx6 s THR 7 Ca 0.50 -1.14 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 1kx6 s THR 7 Cb 0.41 -1.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 1kx6 s THR 7 CO 0.01 -0.60 0.00 -0.24 -2.21 0.00 0.00 174.62 171.59 1kx6 n SER 8 N -0.09 -6.58 -4.54 8.08 2.88 -1.26 -4.65 113.62 107.46 1kx6 n SER 8 Ca -0.15 0.78 -0.64 0.00 -1.33 0.00 0.00 58.87 57.54 1kx6 n SER 8 Cb 0.63 -3.54 -0.11 0.00 -0.75 0.00 0.00 64.21 60.44 1kx6 n SER 8 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1kx6 n ASP 9 N -3.87 1.11 -3.69 -3.46 5.68 -1.26 -4.89 116.55 106.17 1kx6 n ASP 9 Ca -0.03 0.96 -0.11 0.00 -0.50 0.00 0.00 54.79 55.12 1kx6 n ASP 9 Cb 0.51 -0.91 -0.06 0.00 -1.14 0.00 0.00 41.12 39.52 1kx6 n ASP 9 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1kx6 s TYR 10 N 4.32 -0.15 0.00 2.11 5.04 -1.26 -5.06 117.35 122.35 1kx6 s TYR 10 Ca 1.11 -0.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 1kx6 s TYR 10 Cb -1.46 0.18 0.00 0.00 0.35 0.00 0.00 41.96 41.03 1kx6 s TYR 10 CO 0.74 -0.62 0.00 0.45 -1.34 0.00 0.00 175.55 174.78 1kx6 n SER 11 N 0.06 -1.51 0.00 4.32 2.88 -1.26 -4.98 113.62 113.12 1kx6 n SER 11 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1kx6 n SER 11 Cb 0.62 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1kx6 n SER 11 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1kx6 n LYS 12 N 0.01 0.00 -3.90 -1.46 2.85 -1.26 -5.09 118.16 109.31 1kx6 n LYS 12 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 1kx6 n LYS 12 Cb 0.00 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.23 1kx6 n LYS 12 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 1kx6 s TYR 13 N 0.00 2.41 -0.09 5.58 1.13 -1.26 -5.10 117.35 120.02 1kx6 s TYR 13 Ca 0.00 -1.93 -0.09 0.00 -1.41 0.00 0.00 57.07 53.64 1kx6 s TYR 13 Cb 0.00 -1.82 0.02 0.00 -1.10 0.00 0.00 41.96 39.06 1kx6 s TYR 13 CO 0.00 -0.82 0.25 -0.51 -2.51 0.00 0.00 175.55 171.96 1kx6 s LEU 14 N 1.38 1.03 -0.22 -3.49 1.43 -1.26 -5.02 118.68 112.53 1kx6 s LEU 14 Ca 0.01 0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.55 1kx6 s LEU 14 Cb -0.18 0.89 0.02 0.00 0.03 0.00 0.00 46.19 46.94 1kx6 s LEU 14 CO -0.11 -0.11 0.09 -0.67 0.23 0.00 0.00 176.35 175.78 1kx6 n ASP 15 N 2.84 -5.20 -4.35 2.29 2.03 -1.26 -4.89 116.55 108.00 1kx6 n ASP 15 Ca -0.13 1.29 -0.46 0.00 0.52 0.00 0.00 54.79 56.01 1kx6 n ASP 15 Cb 0.58 -4.78 -0.02 0.00 -0.72 0.00 0.00 41.12 36.18 1kx6 n ASP 15 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1kx6 s SER 16 N -1.15 6.68 0.00 1.67 0.15 -1.26 -4.29 113.70 115.51 1kx6 s SER 16 Ca -0.10 -2.46 0.00 0.00 0.70 0.00 0.00 55.95 54.08 1kx6 s SER 16 Cb 0.01 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1kx6 s SER 16 CO 0.68 -0.71 0.00 -1.14 1.20 0.00 0.00 173.24 173.27 1kx6 n ARG 17 N 4.65 0.00 0.00 5.44 0.63 -1.26 -5.02 116.66 121.09 1kx6 n ARG 17 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1kx6 n ARG 17 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 1kx6 n ARG 17 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1kx6 n ARG 18 N -0.90 0.00 -2.43 -0.14 5.12 -1.26 -4.58 116.66 112.47 1kx6 n ARG 18 Ca 0.00 0.40 -0.42 0.00 -1.93 0.00 0.00 57.85 55.90 1kx6 n ARG 18 Cb 0.00 -1.33 -0.03 0.00 -1.16 0.00 0.00 32.46 29.94 1kx6 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1kx6 s ALA 19 N -2.80 3.40 0.00 7.54 0.00 -1.26 -4.97 121.76 123.66 1kx6 s ALA 19 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1kx6 s ALA 19 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1kx6 s ALA 19 CO 0.00 -0.36 0.00 1.04 0.00 0.00 0.00 175.76 176.44 1kx6 n GLN 20 N 3.17 0.00 0.00 0.00 1.13 -1.26 -4.92 117.38 115.49 1kx6 n GLN 20 Ca 0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1kx6 n GLN 20 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.81 1kx6 n GLN 20 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1kx6 n ASP 21 N 0.00 0.00 -0.10 1.08 2.03 -1.26 -4.75 116.55 113.55 1kx6 n ASP 21 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 1kx6 n ASP 21 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 1kx6 n ASP 21 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1kx6 n PHE 22 N -2.00 0.07 0.26 -0.67 7.35 -1.26 -4.14 117.46 117.06 1kx6 n PHE 22 Ca 0.00 0.02 0.17 0.00 -0.76 0.00 0.00 57.45 56.89 1kx6 n PHE 22 Cb 0.00 -1.01 0.93 0.00 0.35 0.00 0.00 39.48 39.75 1kx6 n PHE 22 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1kx6 h VAL 23 N 0.00 0.00 -0.01 -2.13 2.07 -1.89 0.19 116.25 114.48 1kx6 h VAL 23 Ca -0.54 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1kx6 h VAL 23 Cb 2.22 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1kx6 h VAL 23 CO 0.03 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.29 1kx6 n GLN 24 N -2.70 1.03 0.00 1.57 7.27 -1.23 -1.76 117.38 121.56 1kx6 n GLN 24 Ca -0.02 -0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.01 1kx6 n GLN 24 Cb 0.06 -1.19 0.00 0.00 2.41 0.00 0.00 30.24 31.52 1kx6 n GLN 24 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 1kx6 n TRP 25 N -0.30 0.00 0.39 3.69 -0.00 0.61 -3.62 117.44 118.21 1kx6 n TRP 25 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.60 1kx6 n TRP 25 Cb 0.10 0.31 0.40 0.00 -0.00 0.00 0.00 31.31 32.12 1kx6 n TRP 25 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1kx6 n LEU 26 N -2.66 0.37 -0.80 5.87 7.99 -0.95 -3.72 117.00 123.10 1kx6 n LEU 26 Ca 0.00 0.60 -0.04 0.00 -0.01 0.00 0.00 56.01 56.56 1kx6 n LEU 26 Cb 0.19 -0.56 -0.04 0.00 -0.11 0.00 0.00 43.42 42.89 1kx6 n LEU 26 CO 0.00 -0.47 0.21 0.23 -1.51 0.00 0.00 177.39 175.85 1kx6 n MET 27 N -1.92 0.00 0.00 3.23 2.81 -0.72 -5.07 117.12 115.45 1kx6 n MET 27 Ca 0.02 -0.60 0.00 0.00 -1.81 0.00 0.00 57.70 55.31 1kx6 n MET 27 Cb 0.18 0.50 0.00 0.00 -0.71 0.00 0.00 33.22 33.19 1kx6 n MET 27 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1kx6 n ASN 28 N 0.00 0.00 0.00 7.83 5.15 -0.81 -4.79 115.26 122.63 1kx6 n ASN 28 Ca -0.17 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1kx6 n ASN 28 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1kx6 n ASN 28 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01