#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 0.24 -4.59 4.39 7.64 -1.26 -4.91 113.62 115.14 1kx6 n SER 2 Ca 0.00 0.95 -0.41 0.00 1.01 0.00 0.00 58.87 60.42 1kx6 n SER 2 Cb 0.00 -1.25 -0.06 0.00 -1.01 0.00 0.00 64.21 61.89 1kx6 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kx6 s GLN 3 N -1.90 3.81 0.00 1.43 -2.07 -1.26 -4.70 119.66 114.98 1kx6 s GLN 3 Ca 0.65 0.22 0.00 0.00 -1.82 0.00 0.00 55.36 54.40 1kx6 s GLN 3 Cb -0.56 -3.76 0.00 0.00 -1.09 0.00 0.00 33.01 27.59 1kx6 s GLN 3 CO 0.56 -0.65 0.00 0.41 -1.32 0.00 0.00 175.29 174.29 1kx6 n GLY 4 N 4.51 -0.05 3.05 2.60 0.00 -1.26 -5.14 105.19 108.91 1kx6 n GLY 4 Ca -0.01 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 0.08 2.61 -2.24 -1.26 -4.93 114.28 108.53 1kx6 n THR 5 Ca 0.00 -0.44 -0.04 0.00 -2.27 0.00 0.00 64.05 61.31 1kx6 n THR 5 Cb 0.00 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.13 1kx6 n THR 5 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1kx6 h PHE 6 N -1.08 -0.21 -1.44 4.78 3.57 -2.00 -3.45 116.94 117.11 1kx6 h PHE 6 Ca -0.44 -0.01 -0.72 0.00 3.53 0.00 0.00 57.97 60.34 1kx6 h PHE 6 Cb 1.30 0.07 0.05 0.00 2.79 0.00 0.00 35.95 40.17 1kx6 h PHE 6 CO 0.22 -0.13 0.30 -2.37 -2.23 0.00 0.00 178.31 174.10 1kx6 n THR 7 N -3.44 0.04 0.00 4.41 5.66 -1.26 -4.91 114.28 114.79 1kx6 n THR 7 Ca -0.03 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1kx6 n THR 7 Cb 0.09 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 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 2.13 0.00 -1.52 1.09 2.88 -1.26 -4.92 113.62 112.03 1kx6 n SER 8 Ca 0.19 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.59 1kx6 n SER 8 Cb 0.15 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.56 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 -3.78 -4.09 -3.46 -0.08 -1.26 -4.91 116.55 98.97 1kx6 n ASP 9 Ca 0.00 0.33 -0.30 0.00 -1.51 0.00 0.00 54.79 53.31 1kx6 n ASP 9 Cb 0.00 -3.46 0.20 0.00 2.34 0.00 0.00 41.12 40.19 1kx6 n ASP 9 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1kx6 s TYR 10 N -2.25 1.31 0.00 -0.67 5.04 -1.26 -4.07 117.35 115.45 1kx6 s TYR 10 Ca 0.00 0.42 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 1kx6 s TYR 10 Cb 0.00 -3.83 0.00 0.00 0.35 0.00 0.00 41.96 38.48 1kx6 s TYR 10 CO 0.00 -3.03 0.00 0.45 -1.34 0.00 0.00 175.55 171.63 1kx6 n SER 11 N -4.09 0.00 -0.33 4.32 2.88 -1.26 -4.83 113.62 110.31 1kx6 n SER 11 Ca 0.14 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.66 1kx6 n SER 11 Cb 0.59 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.08 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 -0.21 0.23 -1.46 5.02 -1.26 -1.25 118.16 119.23 1kx6 n LYS 12 Ca 0.00 1.30 -0.10 0.00 -2.02 0.00 0.00 58.31 57.50 1kx6 n LYS 12 Cb 0.00 -1.93 -0.05 0.00 -0.02 0.00 0.00 35.03 33.03 1kx6 n LYS 12 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1kx6 h TYR 13 N 0.00 -0.58 -3.78 2.13 0.05 -1.89 -3.42 116.97 109.49 1kx6 h TYR 13 Ca 0.29 -0.01 -0.64 0.00 0.05 0.00 0.00 58.73 58.41 1kx6 h TYR 13 Cb 0.50 0.19 -0.16 0.00 1.01 0.00 0.00 36.73 38.26 1kx6 h TYR 13 CO -0.75 -0.36 -0.38 -0.48 -1.05 0.00 0.00 178.16 175.14 1kx6 s LEU 14 N -8.17 4.15 -0.81 3.88 0.05 -0.38 -5.02 118.68 112.38 1kx6 s LEU 14 Ca -0.09 0.01 -0.06 0.00 0.05 0.00 0.00 54.13 54.04 1kx6 s LEU 14 Cb 0.01 -2.26 0.21 0.00 -2.05 0.00 0.00 46.19 42.10 1kx6 s LEU 14 CO 0.27 -0.16 0.69 1.51 -0.55 0.00 0.00 176.35 178.11 1kx6 s ASP 15 N 1.71 6.05 -0.66 1.48 1.47 -1.17 -4.11 116.67 121.44 1kx6 s ASP 15 Ca 0.10 -3.15 -0.16 0.00 1.18 0.00 0.00 52.55 50.52 1kx6 s ASP 15 Cb -0.16 -2.00 0.02 0.00 -0.34 0.00 0.00 42.92 40.45 1kx6 s ASP 15 CO 0.11 -0.36 0.62 -1.20 0.68 0.00 0.00 175.17 175.02 1kx6 n SER 16 N 3.18 -4.97 0.04 2.11 7.64 -1.26 -4.87 113.62 115.50 1kx6 n SER 16 Ca 0.15 -0.64 0.11 0.00 1.01 0.00 0.00 58.87 59.50 1kx6 n SER 16 Cb 0.40 -1.56 -0.07 0.00 -1.01 0.00 0.00 64.21 61.96 1kx6 n SER 16 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1kx6 n ARG 17 N -1.62 0.59 0.00 1.43 1.85 -1.26 -4.52 116.66 113.13 1kx6 n ARG 17 Ca -0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.59 1kx6 n ARG 17 Cb 0.68 -1.66 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 1kx6 n ARG 17 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1kx6 n ARG 18 N -2.40 0.00 -3.12 2.89 1.74 -1.26 -4.60 116.66 109.91 1kx6 n ARG 18 Ca -0.02 0.38 -0.39 0.00 -0.77 0.00 0.00 57.85 57.05 1kx6 n ARG 18 Cb 0.54 -1.31 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 1kx6 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kx6 s ALA 19 N -2.75 3.41 0.00 7.54 0.00 -1.26 -4.90 121.76 123.79 1kx6 s ALA 19 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1kx6 s ALA 19 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1kx6 s ALA 19 CO 0.00 0.02 0.60 0.94 0.00 0.00 0.00 175.76 177.32 1kx6 n GLN 20 N 3.30 0.00 0.00 0.00 7.27 -1.26 -4.74 117.38 121.94 1kx6 n GLN 20 Ca -0.04 -0.54 0.00 0.00 0.07 0.00 0.00 57.00 56.49 1kx6 n GLN 20 Cb 0.51 -0.38 0.00 0.00 2.41 0.00 0.00 30.24 32.79 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 0.00 0.30 0.16 1.69 -0.08 -1.26 -4.83 116.55 112.53 1kx6 n ASP 21 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 1kx6 n ASP 21 Cb 0.57 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.12 1kx6 n ASP 21 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1kx6 h PHE 22 N 0.00 0.00 0.00 -0.67 -1.00 -1.98 -3.05 116.94 110.25 1kx6 h PHE 22 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1kx6 h PHE 22 Cb 0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1kx6 h PHE 22 CO 0.00 0.43 0.00 0.28 -1.61 0.00 0.00 178.31 177.41 1kx6 h VAL 23 N 0.00 0.00 0.00 -0.55 2.07 -1.88 0.11 116.25 116.00 1kx6 h VAL 23 Ca -0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1kx6 h VAL 23 Cb 1.27 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1kx6 h VAL 23 CO 0.06 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1kx6 n GLN 24 N -2.70 0.99 0.00 1.57 6.02 -1.15 -1.10 117.38 121.01 1kx6 n GLN 24 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1kx6 n GLN 24 Cb 0.09 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.27 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 -0.42 0.00 0.23 1.08 -0.00 0.35 -4.16 117.44 114.51 1kx6 n TRP 25 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.60 1kx6 n TRP 25 Cb 0.04 0.22 0.52 0.00 -0.00 0.00 0.00 31.31 32.09 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 -5.00 5.87 -0.00 -1.52 -3.38 115.31 111.28 1kx6 h LEU 26 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.75 1kx6 h LEU 26 Cb 0.57 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.08 1kx6 h LEU 26 CO 0.00 0.22 -0.30 0.23 -0.00 0.00 0.00 178.44 178.60 1kx6 n MET 27 N -3.53 0.45 0.12 1.13 2.81 -0.26 -5.03 117.12 112.82 1kx6 n MET 27 Ca -0.01 -1.31 -0.13 0.00 -1.81 0.00 0.00 57.70 54.44 1kx6 n MET 27 Cb 0.38 -0.87 -0.08 0.00 -0.71 0.00 0.00 33.22 31.93 1kx6 n MET 27 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 1kx6 h ASN 28 N 3.86 -0.29 0.00 7.83 -1.24 -1.66 -3.40 115.58 120.67 1kx6 h ASN 28 Ca -0.14 -0.23 0.00 0.00 0.71 0.00 0.00 56.30 56.65 1kx6 h ASN 28 Cb 1.12 0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.24 1kx6 h ASN 28 CO 0.06 0.12 0.00 0.35 -1.29 0.00 0.00 177.43 176.67