#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 2.36 -0.19 0.26 0.01 -1.26 -5.12 113.70 109.76 1kx6 s SER 2 Ca 0.00 -0.39 -0.12 0.00 1.31 0.00 0.00 55.95 56.75 1kx6 s SER 2 Cb 0.00 -0.70 -0.05 0.00 0.21 0.00 0.00 66.02 65.48 1kx6 s SER 2 CO 0.00 0.16 0.22 -1.58 0.41 0.00 0.00 173.24 172.46 1kx6 s GLN 3 N 0.05 4.20 -0.65 12.44 2.00 -1.26 -4.59 119.66 131.85 1kx6 s GLN 3 Ca -0.05 -0.06 -0.14 0.00 -2.00 0.00 0.00 55.36 53.11 1kx6 s GLN 3 Cb -0.12 -3.45 0.02 0.00 0.80 0.00 0.00 33.01 30.26 1kx6 s GLN 3 CO 0.03 0.22 0.64 0.41 -0.50 0.00 0.00 175.29 176.09 1kx6 n GLY 4 N 3.59 -0.85 3.08 2.59 0.00 -1.26 -4.83 105.19 107.51 1kx6 n GLY 4 Ca -0.14 0.83 -0.36 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.48 0.04 -0.30 2.61 -2.24 -1.26 -4.80 114.28 106.85 1kx6 n THR 5 Ca -0.15 -0.46 0.03 0.00 -2.27 0.00 0.00 64.05 61.20 1kx6 n THR 5 Cb 0.63 -0.09 0.18 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.96 0.89 -2.53 4.78 -5.15 -2.00 -3.43 116.94 108.54 1kx6 h PHE 6 Ca -0.44 0.03 -0.54 0.00 -0.20 0.00 0.00 57.97 56.83 1kx6 h PHE 6 Cb 1.31 -0.27 0.23 0.00 0.22 0.00 0.00 35.95 37.44 1kx6 h PHE 6 CO 0.23 0.36 -1.37 -2.37 -2.00 0.00 0.00 178.31 173.17 1kx6 n THR 7 N -4.73 0.00 -1.46 0.88 5.66 -1.26 -4.28 114.28 109.09 1kx6 n THR 7 Ca 0.14 -0.35 0.18 0.00 -3.05 0.00 0.00 64.05 60.97 1kx6 n THR 7 Cb 0.29 -0.27 -0.09 0.00 -1.55 0.00 0.00 70.33 68.71 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 1.42 -7.93 -4.47 1.09 2.88 -1.26 -4.44 113.62 100.91 1kx6 n SER 8 Ca 0.02 1.41 -0.44 0.00 -1.33 0.00 0.00 58.87 58.52 1kx6 n SER 8 Cb 0.56 -4.98 -0.09 0.00 -0.75 0.00 0.00 64.21 58.95 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 -4.37 1.44 -4.12 -3.46 9.92 -1.26 -4.87 116.55 109.83 1kx6 n ASP 9 Ca -0.09 0.12 -0.26 0.00 -0.53 0.00 0.00 54.79 54.03 1kx6 n ASP 9 Cb 0.69 -1.20 -0.08 0.00 -0.64 0.00 0.00 41.12 39.89 1kx6 n ASP 9 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 1kx6 s TYR 10 N 9.06 1.79 0.00 1.24 1.13 -1.26 -4.81 117.35 124.49 1kx6 s TYR 10 Ca 1.16 -1.28 0.00 0.00 -1.41 0.00 0.00 57.07 55.54 1kx6 s TYR 10 Cb -0.87 -1.17 0.00 0.00 -1.10 0.00 0.00 41.96 38.82 1kx6 s TYR 10 CO 0.45 -0.29 0.00 0.45 -2.51 0.00 0.00 175.55 173.65 1kx6 n SER 11 N -1.33 0.00 -0.29 -0.18 2.88 -1.26 -4.81 113.62 108.63 1kx6 n SER 11 Ca -0.06 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.64 1kx6 n SER 11 Cb 0.65 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.42 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 0.00 -0.06 -0.04 -1.46 2.85 -1.26 0.18 118.16 118.37 1kx6 n LYS 12 Ca 0.00 1.24 -0.15 0.00 -1.05 0.00 0.00 58.31 58.36 1kx6 n LYS 12 Cb 0.00 -2.04 -0.08 0.00 -0.65 0.00 0.00 35.03 32.26 1kx6 n LYS 12 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 177.40 177.45 1kx6 h TYR 13 N 0.00 0.49 -2.05 5.58 -0.00 -1.95 -3.45 116.97 115.58 1kx6 h TYR 13 Ca 0.57 -0.20 -0.60 0.00 -0.00 0.00 0.00 58.73 58.50 1kx6 h TYR 13 Cb 1.28 -0.08 0.18 0.00 -0.00 0.00 0.00 36.73 38.11 1kx6 h TYR 13 CO -0.32 0.91 -1.12 1.28 -0.00 0.00 0.00 178.16 178.91 1kx6 n LEU 14 N -4.43 -3.44 -3.33 0.10 4.77 0.49 -4.98 117.00 106.18 1kx6 n LEU 14 Ca -0.08 0.66 0.02 0.00 -0.03 0.00 0.00 56.01 56.58 1kx6 n LEU 14 Cb 0.48 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 1kx6 n LEU 14 CO 0.42 -4.71 0.67 -0.62 -1.33 0.00 0.00 177.39 171.82 1kx6 s ASP 15 N -1.01 -0.47 -0.32 -1.43 -1.08 -1.26 -4.99 116.67 106.11 1kx6 s ASP 15 Ca 0.57 0.60 -0.28 0.00 -0.52 0.00 0.00 52.55 52.92 1kx6 s ASP 15 Cb -0.49 1.52 -0.07 0.00 -1.46 0.00 0.00 42.92 42.42 1kx6 s ASP 15 CO 0.66 -0.09 2.29 -1.20 0.52 0.00 0.00 175.17 177.35 1kx6 n SER 16 N 4.93 2.83 0.00 -0.34 7.64 -1.26 -3.72 113.62 123.69 1kx6 n SER 16 Ca -0.08 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1kx6 n SER 16 Cb 0.53 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1kx6 n SER 16 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1kx6 n ARG 17 N 8.78 0.00 -0.01 1.43 0.63 -1.26 -5.00 116.66 121.24 1kx6 n ARG 17 Ca 0.34 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 57.15 1kx6 n ARG 17 Cb 0.45 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.30 1kx6 n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1kx6 h ARG 18 N 0.00 -0.45 0.00 -0.14 3.08 -2.04 -3.40 114.38 111.43 1kx6 h ARG 18 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1kx6 h ARG 18 Cb 0.00 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1kx6 h ARG 18 CO 0.00 -0.30 0.00 0.00 -1.07 0.00 0.00 179.97 178.60 1kx6 n ALA 19 N -2.94 0.00 -0.47 0.04 0.00 -1.26 -4.26 120.51 111.63 1kx6 n ALA 19 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1kx6 n ALA 19 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.06 -1.26 -2.32 117.38 114.07 1kx6 n GLN 20 Ca 0.00 0.00 0.14 0.00 -2.00 0.00 0.00 57.00 55.14 1kx6 n GLN 20 Cb 0.00 0.00 0.74 0.00 -4.06 0.00 0.00 30.24 26.92 1kx6 n GLN 20 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 1kx6 h ASP 21 N 3.58 0.00 1.49 1.69 1.82 -1.89 1.52 116.42 124.63 1kx6 h ASP 21 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.56 1kx6 h ASP 21 Cb 0.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1kx6 h ASP 21 CO 0.00 0.00 -0.37 0.15 -1.61 0.00 0.00 179.24 177.41 1kx6 h PHE 22 N 0.00 0.00 0.00 0.28 3.57 -1.64 -3.11 116.94 116.04 1kx6 h PHE 22 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1kx6 h PHE 22 Cb 0.81 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1kx6 h PHE 22 CO 0.00 0.37 0.20 0.28 -2.23 0.00 0.00 178.31 176.93 1kx6 h VAL 23 N 0.00 0.00 -0.07 1.41 2.07 0.20 0.46 116.25 120.33 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 1.21 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 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 -2.81 1.39 0.00 1.57 6.02 -1.18 -2.36 117.38 120.02 1kx6 n GLN 24 Ca -0.02 -0.34 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 1kx6 n GLN 24 Cb 0.25 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.02 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 0.01 0.00 -0.30 1.08 -0.00 0.16 -4.24 117.44 114.15 1kx6 n TRP 25 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.48 1kx6 n TRP 25 Cb 0.30 0.19 0.07 0.00 -0.00 0.00 0.00 31.31 31.88 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 1.09 -5.00 5.87 -0.00 -1.54 -3.40 115.31 112.32 1kx6 h LEU 26 Ca 0.00 -0.15 -0.08 0.00 -0.00 0.00 0.00 57.88 57.66 1kx6 h LEU 26 Cb 0.41 -0.28 -0.16 0.00 -0.00 0.00 0.00 40.66 40.63 1kx6 h LEU 26 CO 0.00 0.93 -0.32 0.23 -0.00 0.00 0.00 178.44 179.28 1kx6 n MET 27 N -4.31 0.34 0.00 1.13 2.81 -0.99 -5.12 117.12 110.97 1kx6 n MET 27 Ca 0.08 -1.46 0.00 0.00 -1.81 0.00 0.00 57.70 54.50 1kx6 n MET 27 Cb 0.15 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 1kx6 n MET 27 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1kx6 n ASN 28 N 2.77 0.00 0.00 7.83 3.02 -1.21 -4.74 115.26 122.92 1kx6 n ASN 28 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1kx6 n ASN 28 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1kx6 n ASN 28 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99