#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 -1.07 -3.77 0.41 2.88 -1.26 -5.16 113.62 105.64 1kx6 n SER 2 Ca 0.00 0.49 -0.07 0.00 -1.33 0.00 0.00 58.87 57.95 1kx6 n SER 2 Cb 0.00 1.29 -0.02 0.00 -0.75 0.00 0.00 64.21 64.73 1kx6 n SER 2 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1kx6 s GLN 3 N -2.00 1.60 0.00 -1.46 0.74 -1.26 -5.11 119.66 112.17 1kx6 s GLN 3 Ca 0.00 -0.85 0.00 0.00 0.05 0.00 0.00 55.36 54.56 1kx6 s GLN 3 Cb 0.00 0.57 0.00 0.00 1.10 0.00 0.00 33.01 34.68 1kx6 s GLN 3 CO 0.00 -0.73 0.00 0.41 -0.55 0.00 0.00 175.29 174.42 1kx6 n GLY 4 N -0.44 0.87 1.14 2.59 0.00 -1.26 -5.13 105.19 102.95 1kx6 n GLY 4 Ca -0.06 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.25 -0.01 2.61 -2.24 -1.26 -4.90 114.28 108.24 1kx6 n THR 5 Ca 0.00 0.45 -0.01 0.00 -2.27 0.00 0.00 64.05 62.22 1kx6 n THR 5 Cb 0.00 -0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 67.45 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 -3.68 0.00 -1.50 4.78 -1.74 -1.26 -4.79 117.46 109.28 1kx6 n PHE 6 Ca -0.04 0.00 -0.46 0.00 -0.56 0.00 0.00 57.45 56.39 1kx6 n PHE 6 Cb 0.56 -0.06 -0.02 0.00 1.52 0.00 0.00 39.48 41.48 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 -2.42 1.98 -4.05 1.97 5.66 -1.26 0.50 114.28 116.66 1kx6 n THR 7 Ca -0.02 -0.50 -0.44 0.00 -3.05 0.00 0.00 64.05 60.04 1kx6 n THR 7 Cb 0.53 -0.54 0.02 0.00 -1.55 0.00 0.00 70.33 68.79 1kx6 n THR 7 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1kx6 n SER 8 N 1.57 -4.01 0.03 1.09 3.41 -1.26 -4.52 113.62 109.92 1kx6 n SER 8 Ca 0.13 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 1kx6 n SER 8 Cb 0.29 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 1kx6 n SER 8 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1kx6 n ASP 9 N -2.06 -0.48 -4.76 4.04 2.03 -0.72 -5.14 116.55 109.46 1kx6 n ASP 9 Ca -0.13 0.33 -0.35 0.00 0.52 0.00 0.00 54.79 55.16 1kx6 n ASP 9 Cb 0.55 0.71 0.03 0.00 -0.72 0.00 0.00 41.12 41.69 1kx6 n ASP 9 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1kx6 s TYR 10 N -2.00 2.51 0.00 -0.67 1.13 0.18 -4.60 117.35 113.90 1kx6 s TYR 10 Ca 0.00 1.54 0.00 0.00 -1.41 0.00 0.00 57.07 57.20 1kx6 s TYR 10 Cb 0.00 -3.34 0.00 0.00 -1.10 0.00 0.00 41.96 37.52 1kx6 s TYR 10 CO 0.00 -1.90 0.00 0.43 -2.51 0.00 0.00 175.55 171.57 1kx6 n SER 11 N -1.76 0.00 -0.32 -0.18 7.64 -1.26 -4.88 113.62 112.86 1kx6 n SER 11 Ca 0.12 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.00 1kx6 n SER 11 Cb 0.51 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1kx6 n SER 11 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1kx6 n LYS 12 N 0.00 -0.19 0.04 1.43 4.76 -1.26 0.60 118.16 123.55 1kx6 n LYS 12 Ca 0.00 1.31 0.11 0.00 -2.87 0.00 0.00 58.31 56.86 1kx6 n LYS 12 Cb 0.00 -1.94 -0.06 0.00 -1.84 0.00 0.00 35.03 31.19 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 -5.26 0.44 -2.90 2.13 0.18 -1.26 -5.04 117.16 105.45 1kx6 n TYR 13 Ca 0.09 0.13 -0.01 0.00 1.88 0.00 0.00 57.90 59.99 1kx6 n TYR 13 Cb 0.35 -0.66 -0.01 0.00 -0.38 0.00 0.00 39.34 38.65 1kx6 n TYR 13 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1kx6 n LEU 14 N -2.34 -6.00 -4.44 -3.48 4.77 0.20 -4.91 117.00 100.80 1kx6 n LEU 14 Ca -0.01 1.17 -0.29 0.00 -0.03 0.00 0.00 56.01 56.84 1kx6 n LEU 14 Cb 0.53 -2.59 0.24 0.00 -2.33 0.00 0.00 43.42 39.26 1kx6 n LEU 14 CO 0.42 -2.70 0.30 0.47 -1.33 0.00 0.00 177.39 174.55 1kx6 n ASP 15 N 1.20 -1.77 -2.91 -1.43 9.92 -1.26 -4.38 116.55 115.92 1kx6 n ASP 15 Ca -0.06 -0.12 -0.11 0.00 -0.53 0.00 0.00 54.79 53.98 1kx6 n ASP 15 Cb 0.25 -1.21 0.01 0.00 -0.64 0.00 0.00 41.12 39.53 1kx6 n ASP 15 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1kx6 n SER 16 N -4.24 -7.72 -0.11 -2.24 2.88 -1.26 -5.00 113.62 95.93 1kx6 n SER 16 Ca 0.03 0.52 -0.21 0.00 -1.33 0.00 0.00 58.87 57.87 1kx6 n SER 16 Cb 0.55 -5.01 -0.07 0.00 -0.75 0.00 0.00 64.21 58.93 1kx6 n SER 16 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1kx6 n ARG 17 N -0.23 0.48 0.12 -1.46 3.00 -1.26 -4.67 116.66 112.64 1kx6 n ARG 17 Ca 0.09 0.21 -0.17 0.00 -0.00 0.00 0.00 57.85 57.98 1kx6 n ARG 17 Cb 0.46 -1.31 -0.10 0.00 0.00 0.00 0.00 32.46 31.51 1kx6 n ARG 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1kx6 h ARG 18 N -0.83 -0.74 0.00 -0.14 3.08 -1.96 -3.41 114.38 110.37 1kx6 h ARG 18 Ca -0.46 0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1kx6 h ARG 18 Cb 1.37 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.59 1kx6 h ARG 18 CO -0.28 -0.50 0.00 0.00 -1.07 0.00 0.00 179.97 178.12 1kx6 n ALA 19 N -2.93 0.00 -0.39 0.04 0.00 -1.26 -4.30 120.51 111.67 1kx6 n ALA 19 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1kx6 n ALA 19 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 0.00 0.33 0.00 7.27 -1.26 -2.50 117.38 121.22 1kx6 n GLN 20 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 57.00 57.21 1kx6 n GLN 20 Cb 0.00 0.00 0.74 0.00 2.41 0.00 0.00 30.24 33.39 1kx6 n GLN 20 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1kx6 h ASP 21 N 3.58 0.00 1.47 1.69 3.32 -1.89 1.51 116.42 126.11 1kx6 h ASP 21 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1kx6 h ASP 21 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1kx6 h ASP 21 CO 0.00 0.00 -0.37 0.15 -1.72 0.00 0.00 179.24 177.30 1kx6 h PHE 22 N 0.00 0.00 0.00 4.55 3.04 -1.67 -3.10 116.94 119.76 1kx6 h PHE 22 Ca 0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1kx6 h PHE 22 Cb 0.81 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.32 1kx6 h PHE 22 CO 0.00 0.37 0.20 0.28 -2.02 0.00 0.00 178.31 177.14 1kx6 h VAL 23 N 0.00 0.00 0.00 1.41 2.07 0.20 0.62 116.25 120.55 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 1.20 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1kx6 h VAL 23 CO 0.05 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1kx6 n GLN 24 N -2.79 0.95 0.00 1.57 6.02 -1.17 -1.72 117.38 120.23 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 0.25 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.48 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 -0.46 0.00 0.32 1.08 -0.00 0.22 -4.67 117.44 113.92 1kx6 n TRP 25 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.63 1kx6 n TRP 25 Cb 0.02 0.11 0.59 0.00 -0.00 0.00 0.00 31.31 32.02 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 -2.68 5.87 -0.00 -1.53 -3.47 115.31 113.50 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 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 1kx6 h LEU 26 CO 0.00 0.00 -0.28 0.23 -0.00 0.00 0.00 178.44 178.39 1kx6 n MET 27 N -2.42 -1.15 -0.39 1.13 2.81 -0.70 -4.90 117.12 111.49 1kx6 n MET 27 Ca 0.01 1.27 -0.08 0.00 -1.81 0.00 0.00 57.70 57.09 1kx6 n MET 27 Cb 0.18 -3.13 -0.06 0.00 -0.71 0.00 0.00 33.22 29.50 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 0.98 -1.94 0.00 7.83 -1.24 -1.83 -3.50 115.58 115.87 1kx6 h ASN 28 Ca 0.00 0.32 0.00 0.00 0.71 0.00 0.00 56.30 57.33 1kx6 h ASN 28 Cb 0.29 0.89 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1kx6 h ASN 28 CO 0.07 -0.26 0.00 0.41 -1.29 0.00 0.00 177.43 176.37