#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kx6 n SER 2 N 0.00 -6.29 -4.90 4.39 2.88 -1.26 -5.01 113.62 103.43 1kx6 n SER 2 Ca 0.00 1.28 -0.28 0.00 -1.33 0.00 0.00 58.87 58.54 1kx6 n SER 2 Cb 0.00 -4.89 0.03 0.00 -0.75 0.00 0.00 64.21 58.60 1kx6 n SER 2 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1kx6 s GLN 3 N -1.34 3.06 0.00 -1.46 -0.21 -1.26 -4.91 119.66 113.54 1kx6 s GLN 3 Ca -0.04 0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.57 1kx6 s GLN 3 Cb 0.00 -2.20 0.00 0.00 1.00 0.00 0.00 33.01 31.81 1kx6 s GLN 3 CO 0.71 -0.70 0.00 0.41 -2.12 0.00 0.00 175.29 173.58 1kx6 n GLY 4 N -2.67 -1.80 2.87 3.09 0.00 -1.26 -4.99 105.19 100.43 1kx6 n GLY 4 Ca 0.05 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 1.02 0.00 -0.01 2.61 -2.24 -1.26 -4.95 114.28 109.46 1kx6 n THR 5 Ca 0.00 -0.47 -0.01 0.00 -2.27 0.00 0.00 64.05 61.30 1kx6 n THR 5 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.26 0.00 -0.81 4.78 -1.74 -1.26 -5.07 117.46 111.10 1kx6 n PHE 6 Ca -0.01 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.56 1kx6 n PHE 6 Cb 0.52 -0.04 0.10 0.00 1.52 0.00 0.00 39.48 41.58 1kx6 n PHE 6 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 1kx6 n THR 7 N -2.57 0.00 -1.27 1.97 5.66 -1.26 -4.44 114.28 112.37 1kx6 n THR 7 Ca -0.02 -0.13 0.17 0.00 -3.05 0.00 0.00 64.05 61.02 1kx6 n THR 7 Cb 0.52 -0.29 -0.05 0.00 -1.55 0.00 0.00 70.33 68.96 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 0.93 -7.55 -4.49 1.09 2.88 -1.26 -4.58 113.62 100.65 1kx6 n SER 8 Ca -0.00 0.55 -0.57 0.00 -1.33 0.00 0.00 58.87 57.51 1kx6 n SER 8 Cb 0.63 -3.87 -0.09 0.00 -0.75 0.00 0.00 64.21 60.14 1kx6 n SER 8 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1kx6 n ASP 9 N -3.88 1.66 -3.49 -3.46 8.00 -1.26 -4.87 116.55 109.25 1kx6 n ASP 9 Ca 0.00 0.76 -0.10 0.00 0.71 0.00 0.00 54.79 56.16 1kx6 n ASP 9 Cb 0.58 -1.07 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 1kx6 n ASP 9 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1kx6 s TYR 10 N 5.45 -0.44 0.00 1.24 1.51 -1.26 -4.94 117.35 118.91 1kx6 s TYR 10 Ca 1.09 0.23 0.00 0.00 -1.01 0.00 0.00 57.07 57.39 1kx6 s TYR 10 Cb -1.19 0.57 0.00 0.00 -0.11 0.00 0.00 41.96 41.23 1kx6 s TYR 10 CO 0.62 -0.78 0.00 0.45 -1.11 0.00 0.00 175.55 174.74 1kx6 n SER 11 N -0.35 0.00 -0.30 2.29 2.88 -1.26 -4.82 113.62 112.06 1kx6 n SER 11 Ca -0.13 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.47 1kx6 n SER 11 Cb 0.63 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.23 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 0.00 -0.08 -3.22 -1.46 4.76 -1.26 -1.98 118.16 114.93 1kx6 n LYS 12 Ca 0.00 1.32 -0.24 0.00 -2.87 0.00 0.00 58.31 56.52 1kx6 n LYS 12 Cb 0.00 -1.98 -0.06 0.00 -1.84 0.00 0.00 35.03 31.14 1kx6 n LYS 12 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 1kx6 n TYR 13 N -5.36 1.07 -3.64 2.13 4.11 -1.26 -5.06 117.16 109.15 1kx6 n TYR 13 Ca 0.15 -3.79 -0.39 0.00 -0.00 0.00 0.00 57.90 53.86 1kx6 n TYR 13 Cb 0.46 -0.42 -0.11 0.00 -0.00 0.00 0.00 39.34 39.26 1kx6 n TYR 13 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1kx6 s LEU 14 N -1.92 4.46 0.35 -3.48 1.02 -0.84 -5.06 118.68 113.22 1kx6 s LEU 14 Ca 0.38 -0.87 -0.28 0.00 0.02 0.00 0.00 54.13 53.38 1kx6 s LEU 14 Cb 0.21 -1.99 -0.11 0.00 0.02 0.00 0.00 46.19 44.32 1kx6 s LEU 14 CO -0.08 -0.32 1.48 -0.62 0.02 0.00 0.00 176.35 176.83 1kx6 s ASP 15 N 1.55 6.41 0.06 2.29 -1.08 -1.26 -4.96 116.67 119.68 1kx6 s ASP 15 Ca 0.02 2.98 -0.25 0.00 -0.52 0.00 0.00 52.55 54.78 1kx6 s ASP 15 Cb -0.19 -2.66 -0.06 0.00 -1.46 0.00 0.00 42.92 38.56 1kx6 s ASP 15 CO 0.06 -0.84 0.77 -0.94 0.52 0.00 0.00 175.17 174.75 1kx6 s SER 16 N -0.07 7.25 0.18 -0.34 1.04 -1.26 -4.96 113.70 115.53 1kx6 s SER 16 Ca 0.54 1.49 -0.24 0.00 0.48 0.00 0.00 55.95 58.22 1kx6 s SER 16 Cb -0.46 -2.48 0.07 0.00 0.10 0.00 0.00 66.02 63.25 1kx6 s SER 16 CO 0.59 0.04 1.56 -0.09 0.98 0.00 0.00 173.24 176.33 1kx6 h ARG 17 N 5.46 -0.16 -0.52 4.02 2.43 -1.99 0.15 114.38 123.78 1kx6 h ARG 17 Ca -0.44 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 58.82 1kx6 h ARG 17 Cb 1.21 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.69 1kx6 h ARG 17 CO 0.70 -0.10 -0.42 0.00 -1.51 0.00 0.00 179.97 178.64 1kx6 h ARG 18 N -0.16 -0.24 0.00 0.20 3.08 -2.03 -3.39 114.38 111.84 1kx6 h ARG 18 Ca 0.21 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1kx6 h ARG 18 Cb 0.55 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1kx6 h ARG 18 CO -0.76 -0.16 0.00 0.00 -1.07 0.00 0.00 179.97 177.98 1kx6 n ALA 19 N -3.12 0.00 -2.18 0.04 0.00 0.04 -4.78 120.51 110.51 1kx6 n ALA 19 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1kx6 n ALA 19 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1kx6 n ALA 19 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1kx6 n GLN 20 N 0.00 -5.36 0.00 0.00 7.27 -1.23 -4.20 117.38 113.87 1kx6 n GLN 20 Ca 0.00 3.80 0.00 0.00 0.07 0.00 0.00 57.00 60.87 1kx6 n GLN 20 Cb 0.00 -4.32 0.00 0.00 2.41 0.00 0.00 30.24 28.33 1kx6 n GLN 20 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1kx6 n ASP 21 N 1.94 0.00 0.25 1.69 -0.08 -1.26 -4.45 116.55 114.64 1kx6 n ASP 21 Ca 0.00 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.44 1kx6 n ASP 21 Cb 0.00 0.00 0.56 0.00 2.34 0.00 0.00 41.12 44.02 1kx6 n ASP 21 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1kx6 h PHE 22 N 0.00 0.00 -0.00 -0.67 3.57 -1.87 -2.69 116.94 115.28 1kx6 h PHE 22 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1kx6 h PHE 22 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1kx6 h PHE 22 CO 0.00 0.00 0.01 0.28 -2.23 0.00 0.00 178.31 176.37 1kx6 h VAL 23 N 0.00 0.00 -0.02 1.41 2.07 -1.85 0.25 116.25 118.11 1kx6 h VAL 23 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1kx6 h VAL 23 Cb 0.60 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1kx6 h VAL 23 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1kx6 n GLN 24 N -3.08 1.07 0.00 1.57 6.02 -1.02 -0.95 117.38 121.00 1kx6 n GLN 24 Ca -0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 1kx6 n GLN 24 Cb 0.08 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1kx6 n GLN 24 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 1kx6 n TRP 25 N -0.28 0.00 0.16 1.08 -0.00 0.80 -4.44 117.44 114.77 1kx6 n TRP 25 Ca 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.53 1kx6 n TRP 25 Cb 0.11 0.24 0.26 0.00 -0.00 0.00 0.00 31.31 31.92 1kx6 n TRP 25 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1kx6 h LEU 26 N 0.00 0.00 0.00 5.87 -0.00 -1.44 -3.42 115.31 116.32 1kx6 h LEU 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1kx6 h LEU 26 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1kx6 h LEU 26 CO 0.00 0.49 0.00 1.15 -0.00 0.00 0.00 178.44 180.08 1kx6 n MET 27 N -3.70 0.00 0.31 1.13 0.00 -0.12 -5.06 117.12 109.68 1kx6 n MET 27 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.55 1kx6 n MET 27 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.70 1kx6 n MET 27 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 1kx6 h ASN 28 N 0.00 -0.70 0.00 3.17 -0.73 -1.30 -3.41 115.58 112.61 1kx6 h ASN 28 Ca 0.00 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.16 1kx6 h ASN 28 Cb 0.00 0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.77 1kx6 h ASN 28 CO 0.00 -0.32 0.00 0.41 -0.37 0.00 0.00 177.43 177.15