#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bgk n ARG 3 N -1.02 -0.86 -0.89 0.00 -4.01 -1.26 -5.02 116.66 103.60 1bgk n ARG 3 Ca -0.09 0.00 -0.34 0.00 -1.04 0.00 0.00 57.85 56.37 1bgk n ARG 3 Cb 0.67 0.00 0.08 0.00 -3.04 0.00 0.00 32.46 30.17 1bgk n ARG 3 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1bgk n ASP 4 N 0.00 -3.96 0.00 2.89 5.68 -1.09 -4.19 116.55 115.88 1bgk n ASP 4 Ca 0.00 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 1bgk n ASP 4 Cb 0.00 -0.98 0.00 0.00 -1.14 0.00 0.00 41.12 39.00 1bgk n ASP 4 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1bgk n TRP 5 N -3.10 0.00 -0.02 2.11 7.02 -0.30 -4.84 117.44 118.31 1bgk n TRP 5 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 1bgk n TRP 5 Cb 0.55 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.44 1bgk n TRP 5 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1bgk n PHE 6 N -0.89 0.00 -2.83 -5.99 3.72 -1.26 -4.95 117.46 105.27 1bgk n PHE 6 Ca 0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 1bgk n PHE 6 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 1bgk n PHE 6 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1bgk s LYS 7 N 1.48 4.36 0.43 -1.08 2.47 -1.26 -4.85 119.74 121.29 1bgk s LYS 7 Ca 0.00 1.18 0.19 0.00 -1.56 0.00 0.00 55.97 55.77 1bgk s LYS 7 Cb 0.00 -2.46 1.03 0.00 -1.46 0.00 0.00 37.83 34.94 1bgk s LYS 7 CO 0.00 0.11 1.52 0.93 0.16 0.00 0.00 175.35 178.07 1bgk h GLU 8 N 2.47 0.00 0.00 4.03 5.08 -1.98 0.99 114.58 125.17 1bgk h GLU 8 Ca -0.48 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.63 1bgk h GLU 8 Cb 1.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1bgk h GLU 8 CO 0.63 0.00 -1.76 0.25 -1.00 0.00 0.00 179.01 177.13 1bgk n THR 9 N -2.32 1.31 -0.28 1.13 -2.24 -1.26 -3.07 114.28 107.55 1bgk n THR 9 Ca -0.01 -0.75 0.05 0.00 -2.27 0.00 0.00 64.05 61.07 1bgk n THR 9 Cb 0.31 -0.74 0.19 0.00 -2.10 0.00 0.00 70.33 67.99 1bgk n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bgk h ALA 10 N 1.21 1.17 -0.25 6.98 0.00 -1.15 0.83 119.26 128.05 1bgk h ALA 10 Ca -0.28 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bgk h ALA 10 Cb 1.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1bgk h ALA 10 CO 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1bgk h ARG 12 N 0.00 0.00 0.00 0.00 2.43 -1.10 0.33 114.38 116.05 1bgk h ARG 12 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bgk h ARG 12 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1bgk h ARG 12 CO 0.00 0.00 0.00 1.58 -1.51 0.00 0.00 179.97 180.04 1bgk n HIS 13 N -3.16 0.00 -0.59 2.20 -0.00 0.14 -1.69 115.22 112.12 1bgk n HIS 13 Ca 0.20 0.00 0.47 0.00 0.46 0.00 0.00 57.72 58.85 1bgk n HIS 13 Cb 1.47 -0.44 0.76 0.00 -0.12 0.00 0.00 29.99 31.66 1bgk n HIS 13 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bgk h ALA 14 N -2.00 3.40 0.10 1.57 0.00 -0.25 0.27 119.26 122.34 1bgk h ALA 14 Ca 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 1bgk h ALA 14 Cb 0.00 0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.00 1bgk h ALA 14 CO 0.00 -2.01 -1.19 -0.22 0.00 0.00 0.00 179.25 175.84 1bgk h LYS 15 N 0.01 0.55 -0.01 0.00 3.64 -1.22 0.12 116.57 119.66 1bgk h LYS 15 Ca 0.90 -0.72 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1bgk h LYS 15 Cb 3.30 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 35.36 1bgk h LYS 15 CO -0.20 1.31 -0.30 0.43 -2.27 0.00 0.00 179.45 178.42 1bgk n SER 16 N -3.75 1.74 -0.09 4.20 7.64 0.77 -4.43 113.62 119.69 1bgk n SER 16 Ca -0.12 -1.35 -0.13 0.00 1.01 0.00 0.00 58.87 58.28 1bgk n SER 16 Cb 0.96 0.26 -0.06 0.00 -1.01 0.00 0.00 64.21 64.37 1bgk n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bgk n LEU 17 N -0.07 1.85 0.00 -3.43 4.77 -0.19 -5.01 117.00 114.92 1bgk n LEU 17 Ca 0.12 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1bgk n LEU 17 Cb 0.43 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1bgk n LEU 17 CO 0.25 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1bgk n GLY 18 N 1.51 0.22 0.00 -0.72 0.00 -1.22 -5.06 105.19 99.91 1bgk n GLY 18 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1bgk n GLY 18 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bgk n ASN 19 N 0.00 0.00 -1.83 1.61 3.02 -1.11 -4.59 115.26 112.37 1bgk n ASN 19 Ca 0.00 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.14 1bgk n ASN 19 Cb 0.00 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1bgk n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bgk n ARG 21 N -1.71 0.00 -0.18 0.00 1.74 -1.26 -4.93 116.66 110.32 1bgk n ARG 21 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1bgk n ARG 21 Cb 0.32 0.00 0.23 0.00 -1.02 0.00 0.00 32.46 32.00 1bgk n ARG 21 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1bgk n THR 22 N 0.00 0.47 -4.46 0.55 -2.24 -0.51 -4.79 114.28 103.30 1bgk n THR 22 Ca 0.00 -0.52 -0.20 0.00 -2.27 0.00 0.00 64.05 61.06 1bgk n THR 22 Cb 0.00 0.34 -0.14 0.00 -2.10 0.00 0.00 70.33 68.43 1bgk n THR 22 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bgk s SER 23 N -1.17 1.45 0.00 3.42 0.15 -1.26 -5.02 113.70 111.27 1bgk s SER 23 Ca 0.30 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1bgk s SER 23 Cb 0.16 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1bgk s SER 23 CO 0.22 0.10 0.26 0.00 1.20 0.00 0.00 173.24 175.01 1bgk n GLN 24 N 2.48 0.00 -0.12 5.44 6.02 -1.26 -1.54 117.38 128.40 1bgk n GLN 24 Ca -0.15 0.24 -0.05 0.00 -0.01 0.00 0.00 57.00 57.03 1bgk n GLN 24 Cb 0.56 -0.91 0.02 0.00 1.02 0.00 0.00 30.24 30.92 1bgk n GLN 24 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1bgk h LYS 25 N 0.00 -0.07 -0.60 -1.09 3.64 -1.99 -1.09 116.57 115.37 1bgk h LYS 25 Ca 0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1bgk h LYS 25 Cb 0.00 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.73 1bgk h LYS 25 CO 0.00 -0.05 -0.47 1.88 -2.27 0.00 0.00 179.45 178.54 1bgk h TYR 26 N -0.08 -1.39 0.62 1.91 -1.99 -1.93 2.28 116.97 116.39 1bgk h TYR 26 Ca 0.20 0.09 -0.03 0.00 2.00 0.00 0.00 58.73 60.99 1bgk h TYR 26 Cb 0.39 0.69 0.01 0.00 2.00 0.00 0.00 36.73 39.82 1bgk h TYR 26 CO -0.41 -0.43 -0.30 0.07 -0.00 0.00 0.00 178.16 177.09 1bgk h ARG 27 N -0.23 -0.81 0.04 4.88 0.11 -0.49 -2.08 114.38 115.81 1bgk h ARG 27 Ca 0.17 0.06 -0.00 0.00 0.10 0.00 0.00 59.98 60.30 1bgk h ARG 27 Cb 0.56 0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.82 1bgk h ARG 27 CO -0.71 -0.49 -0.02 0.00 0.10 0.00 0.00 179.97 178.85 1bgk h ALA 28 N -0.85 -0.10 -1.15 0.08 0.00 -0.89 -2.55 119.26 113.80 1bgk h ALA 28 Ca -0.09 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.15 1bgk h ALA 28 Cb 0.69 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 1bgk h ALA 28 CO 0.14 -0.09 0.74 -0.91 0.00 0.00 0.00 179.25 179.13 1bgk h ASN 29 N -0.54 0.36 -2.07 0.00 2.35 0.36 0.05 115.58 116.09 1bgk h ASN 29 Ca -0.01 0.11 -0.63 0.00 -0.55 0.00 0.00 56.30 55.23 1bgk h ASN 29 Cb 0.04 0.07 -0.39 0.00 0.05 0.00 0.00 38.32 38.09 1bgk h ASN 29 CO 0.01 -0.04 -0.35 0.00 -1.65 0.00 0.00 177.43 175.40 1bgk n ALA 31 N -0.30 2.67 0.05 0.00 0.00 0.01 -3.15 120.51 119.77 1bgk n ALA 31 Ca 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 53.44 53.56 1bgk n ALA 31 Cb 0.43 -1.48 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 1bgk n ALA 31 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1bgk h LYS 32 N 0.26 0.00 0.05 0.00 3.11 -1.85 0.27 116.57 118.41 1bgk h LYS 32 Ca 0.00 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.53 1bgk h LYS 32 Cb 0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.28 1bgk h LYS 32 CO 0.00 0.45 -1.73 0.00 -2.81 0.00 0.00 179.45 175.36 1bgk h THR 33 N 0.00 0.87 0.00 1.00 1.03 -1.88 -3.34 112.91 110.59 1bgk h THR 33 Ca -0.14 -2.65 0.00 0.00 -0.01 0.00 0.00 66.41 63.61 1bgk h THR 33 Cb 1.65 2.50 0.00 0.00 -1.07 0.00 0.00 68.15 71.23 1bgk h THR 33 CO 0.07 0.66 -0.97 0.00 -0.01 0.00 0.00 175.52 175.26 1bgk n GLU 35 N -1.62 -1.65 0.00 0.00 1.02 0.45 -4.85 120.64 113.98 1bgk n GLU 35 Ca 0.03 0.65 0.14 0.00 -0.02 0.00 0.00 57.16 57.96 1bgk n GLU 35 Cb 0.36 -4.90 0.63 0.00 -0.02 0.00 0.00 31.44 27.52 1bgk n GLU 35 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1bgk n LEU 36 N -2.16 0.57 0.00 -4.62 4.77 0.66 -4.98 117.00 111.24 1bgk n LEU 36 Ca -0.14 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1bgk n LEU 36 Cb 0.61 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1bgk n LEU 36 CO 0.22 0.10 0.00 0.00 -1.33 0.00 0.00 177.39 176.38