#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 1.41 0.32 0.41 0.01 -1.26 -5.08 113.70 109.51 1kx6 s SER 2 Ca 0.00 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1kx6 s SER 2 Cb 0.00 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1kx6 s SER 2 CO 0.00 -0.36 0.00 0.00 0.41 0.00 0.00 173.24 173.29 1kx6 n GLN 3 N 0.11 -3.20 0.00 12.44 3.00 -1.26 -5.05 117.38 123.42 1kx6 n GLN 3 Ca -0.13 2.35 0.00 0.00 -0.01 0.00 0.00 57.00 59.22 1kx6 n GLN 3 Cb 0.60 -2.63 0.00 0.00 0.00 0.00 0.00 30.24 28.21 1kx6 n GLN 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1kx6 n GLY 4 N -0.53 0.62 3.09 1.08 0.00 -1.26 -5.00 105.19 103.18 1kx6 n GLY 4 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.04 -0.20 2.61 -2.24 -1.26 -4.84 114.28 108.39 1kx6 n THR 5 Ca 0.00 -0.46 -0.06 0.00 -2.27 0.00 0.00 64.05 61.26 1kx6 n THR 5 Cb 0.00 -0.10 0.03 0.00 -2.10 0.00 0.00 70.33 68.16 1kx6 n THR 5 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1kx6 h PHE 6 N -0.98 0.76 -0.99 4.78 -5.15 -2.02 -3.41 116.94 109.93 1kx6 h PHE 6 Ca -0.44 0.00 -0.59 0.00 -0.20 0.00 0.00 57.97 56.75 1kx6 h PHE 6 Cb 1.31 -0.25 -0.03 0.00 0.22 0.00 0.00 35.95 37.20 1kx6 h PHE 6 CO 0.24 0.51 1.54 -2.37 -2.00 0.00 0.00 178.31 176.23 1kx6 n THR 7 N -4.64 0.08 0.00 0.88 5.66 -1.26 -4.50 114.28 110.50 1kx6 n THR 7 Ca 0.04 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 1kx6 n THR 7 Cb 0.05 -1.69 0.00 0.00 -1.55 0.00 0.00 70.33 67.14 1kx6 n THR 7 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1kx6 n SER 8 N 11.45 0.00 0.00 1.09 2.88 -1.26 -4.98 113.62 122.80 1kx6 n SER 8 Ca 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1kx6 n SER 8 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1kx6 n SER 8 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1kx6 n ASP 9 N 0.00 0.00 -3.84 -3.46 2.03 -1.26 -5.15 116.55 104.87 1kx6 n ASP 9 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 1kx6 n ASP 9 Cb 0.00 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.51 1kx6 n ASP 9 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1kx6 n TYR 10 N 0.00 -1.82 -1.12 -0.67 4.01 -1.26 -4.32 117.16 111.98 1kx6 n TYR 10 Ca 0.00 0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 1kx6 n TYR 10 Cb 0.00 -1.42 0.00 0.00 -0.31 0.00 0.00 39.34 37.61 1kx6 n TYR 10 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1kx6 n SER 11 N 0.00 -1.49 0.00 7.72 2.88 -1.26 -4.54 113.62 116.93 1kx6 n SER 11 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1kx6 n SER 11 Cb 0.44 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1kx6 n SER 11 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1kx6 n LYS 12 N 0.03 0.00 -0.85 -1.46 5.02 -1.26 -4.78 118.16 114.85 1kx6 n LYS 12 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1kx6 n LYS 12 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 1kx6 n LYS 12 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1kx6 n TYR 13 N 0.00 1.10 -2.90 2.13 4.01 -1.26 -4.88 117.16 115.36 1kx6 n TYR 13 Ca 0.00 -1.71 -0.42 0.00 -0.16 0.00 0.00 57.90 55.61 1kx6 n TYR 13 Cb 0.00 -0.91 -0.04 0.00 -0.31 0.00 0.00 39.34 38.07 1kx6 n TYR 13 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1kx6 s LEU 14 N -1.32 4.07 -0.43 7.72 2.01 -1.26 -4.75 118.68 124.71 1kx6 s LEU 14 Ca 0.27 0.57 -0.42 0.00 0.01 0.00 0.00 54.13 54.57 1kx6 s LEU 14 Cb 0.20 -3.13 -0.17 0.00 0.01 0.00 0.00 46.19 43.09 1kx6 s LEU 14 CO -0.02 -0.72 1.96 -0.90 1.01 0.00 0.00 176.35 177.67 1kx6 n ASP 15 N 6.45 1.41 -3.16 2.29 5.75 -1.26 -2.70 116.55 125.32 1kx6 n ASP 15 Ca 0.05 0.81 0.00 0.00 -0.01 0.00 0.00 54.79 55.64 1kx6 n ASP 15 Cb 0.48 -1.01 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 1kx6 n ASP 15 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1kx6 n SER 16 N 6.80 -6.52 -2.70 -1.12 3.41 -1.26 -4.95 113.62 107.28 1kx6 n SER 16 Ca 0.42 0.41 -0.07 0.00 -0.26 0.00 0.00 58.87 59.36 1kx6 n SER 16 Cb 0.04 -1.55 0.11 0.00 -0.26 0.00 0.00 64.21 62.54 1kx6 n SER 16 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1kx6 n ARG 17 N 1.31 1.18 0.17 4.33 0.63 -1.10 -5.01 116.66 118.17 1kx6 n ARG 17 Ca 0.00 -2.04 -0.07 0.00 -0.92 0.00 0.00 57.85 54.82 1kx6 n ARG 17 Cb 0.49 -0.26 -0.03 0.00 0.45 0.00 0.00 32.46 33.11 1kx6 n ARG 17 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1kx6 h ARG 18 N 2.19 -0.42 -5.32 -0.14 2.43 -1.92 -3.44 114.38 107.74 1kx6 h ARG 18 Ca -0.25 0.03 -0.61 0.00 -0.81 0.00 0.00 59.98 58.34 1kx6 h ARG 18 Cb 1.27 0.10 -0.32 0.00 -0.42 0.00 0.00 29.97 30.60 1kx6 h ARG 18 CO 0.02 -0.28 -0.85 0.00 -1.51 0.00 0.00 179.97 177.35 1kx6 s ALA 19 N -3.92 1.77 0.00 2.80 0.00 -1.26 -4.97 121.76 116.17 1kx6 s ALA 19 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1kx6 s ALA 19 Cb 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.50 1kx6 s ALA 19 CO 0.19 0.28 0.65 0.94 0.00 0.00 0.00 175.76 177.82 1kx6 n GLN 20 N 3.32 0.00 0.00 0.00 -0.06 -1.26 -4.78 117.38 114.60 1kx6 n GLN 20 Ca -0.19 -0.52 0.00 0.00 -2.00 0.00 0.00 57.00 54.29 1kx6 n GLN 20 Cb 0.53 -0.31 0.00 0.00 -4.06 0.00 0.00 30.24 26.40 1kx6 n GLN 20 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1kx6 n ASP 21 N 0.00 0.00 0.23 1.69 2.03 -1.26 -4.83 116.55 114.41 1kx6 n ASP 21 Ca 0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 1kx6 n ASP 21 Cb 0.58 0.01 0.27 0.00 -0.72 0.00 0.00 41.12 41.27 1kx6 n ASP 21 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1kx6 h PHE 22 N 0.00 0.00 0.00 -0.67 0.04 -1.97 -3.00 116.94 111.34 1kx6 h PHE 22 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1kx6 h PHE 22 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1kx6 h PHE 22 CO 0.00 0.00 0.00 0.28 -0.60 0.00 0.00 178.31 177.99 1kx6 h VAL 23 N 0.00 0.00 0.00 -0.55 2.07 -1.88 -0.04 116.25 115.86 1kx6 h VAL 23 Ca -0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1kx6 h VAL 23 Cb 0.90 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1kx6 h VAL 23 CO 0.00 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.26 1kx6 n GLN 24 N -2.79 0.93 0.00 1.57 0.00 -1.13 -1.89 117.38 114.07 1kx6 n GLN 24 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.99 1kx6 n GLN 24 Cb 0.14 -1.02 0.00 0.00 0.00 0.00 0.00 30.24 29.36 1kx6 n GLN 24 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93 1kx6 n TRP 25 N -0.52 -0.01 0.34 3.69 -0.00 -0.04 -4.63 117.44 116.26 1kx6 n TRP 25 Ca 0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.58 1kx6 n TRP 25 Cb 0.00 0.04 0.32 0.00 -0.00 0.00 0.00 31.31 31.67 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 -2.98 0.21 -2.53 5.87 7.99 -1.11 -4.90 117.00 119.55 1kx6 n LEU 26 Ca 0.00 0.56 -0.05 0.00 -0.01 0.00 0.00 56.01 56.51 1kx6 n LEU 26 Cb 0.44 -0.55 0.01 0.00 -0.11 0.00 0.00 43.42 43.20 1kx6 n LEU 26 CO 0.00 -0.45 0.07 0.23 -1.51 0.00 0.00 177.39 175.74 1kx6 n MET 27 N -1.75 -1.65 0.00 3.23 2.81 -0.79 -5.01 117.12 113.96 1kx6 n MET 27 Ca 0.02 1.64 0.00 0.00 -1.81 0.00 0.00 57.70 57.55 1kx6 n MET 27 Cb 0.13 -4.62 0.00 0.00 -0.71 0.00 0.00 33.22 28.03 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 -0.54 0.20 0.00 7.83 5.15 -1.03 -5.07 115.26 121.80 1kx6 n ASN 28 Ca 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1kx6 n ASN 28 Cb 0.37 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 1kx6 n ASN 28 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07