#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 -3.14 -1.90 -0.63 0.00 1.85 -1.26 -4.98 116.66 106.60 1bgk n ARG 3 Ca 0.12 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.87 1bgk n ARG 3 Cb 0.60 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 32.08 1bgk n ARG 3 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1bgk n ASP 4 N 3.00 0.04 0.00 2.89 5.68 -1.26 -3.52 116.55 123.38 1bgk n ASP 4 Ca 0.00 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 1bgk n ASP 4 Cb 0.00 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 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 -2.58 0.00 0.00 2.11 7.02 0.68 -4.76 117.44 119.91 1bgk n TRP 5 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 1bgk n TRP 5 Cb 0.19 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.08 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 -0.95 0.00 -3.11 -5.99 3.72 -1.25 -4.98 117.46 104.91 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 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 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 1.47 4.19 0.66 -1.08 2.47 -1.26 -4.88 119.74 121.31 1bgk s LYS 7 Ca 0.00 0.82 0.21 0.00 -1.56 0.00 0.00 55.97 55.44 1bgk s LYS 7 Cb 0.00 -2.77 1.15 0.00 -1.46 0.00 0.00 37.83 34.75 1bgk s LYS 7 CO 0.00 0.33 1.65 0.93 0.16 0.00 0.00 175.35 178.42 1bgk h GLU 8 N 3.12 0.00 0.08 4.03 5.08 -1.98 0.35 114.58 125.26 1bgk h GLU 8 Ca -0.48 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.56 1bgk h GLU 8 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1bgk h GLU 8 CO 0.65 0.00 -1.77 1.79 -1.00 0.00 0.00 179.01 178.68 1bgk h THR 9 N 0.00 0.85 -1.00 1.13 1.35 -2.00 -3.08 112.91 110.15 1bgk h THR 9 Ca 0.00 -2.59 0.24 0.00 -0.55 0.00 0.00 66.41 63.51 1bgk h THR 9 Cb 1.06 2.55 -0.09 0.00 -1.73 0.00 0.00 68.15 69.94 1bgk h THR 9 CO -0.00 0.74 0.64 0.00 -0.25 0.00 0.00 175.52 176.65 1bgk h ALA 10 N 0.51 2.07 0.21 6.62 0.00 -0.66 -0.09 119.26 127.91 1bgk h ALA 10 Ca -0.33 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1bgk h ALA 10 Cb 2.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1bgk h ALA 10 CO 0.11 -0.45 -0.10 0.00 0.00 0.00 0.00 179.25 178.80 1bgk n ARG 12 N -2.84 0.00 0.30 0.00 0.63 -0.16 0.20 116.66 114.79 1bgk n ARG 12 Ca -0.04 0.94 -0.12 0.00 -0.92 0.00 0.00 57.85 57.72 1bgk n ARG 12 Cb 0.11 -2.19 -0.06 0.00 0.45 0.00 0.00 32.46 30.78 1bgk n ARG 12 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1bgk h HIS 13 N 0.00 -0.73 -0.94 -0.14 2.76 -0.74 -1.97 115.15 113.39 1bgk h HIS 13 Ca 0.81 -0.02 0.23 0.00 -2.20 0.00 0.00 60.37 59.19 1bgk h HIS 13 Cb 3.28 0.24 -0.17 0.00 1.55 0.00 0.00 27.41 32.31 1bgk h HIS 13 CO 0.00 -0.46 -0.07 0.00 -1.30 0.00 0.00 177.93 176.10 1bgk h ALA 14 N -1.47 0.92 0.00 5.26 0.00 0.25 1.66 119.26 125.88 1bgk h ALA 14 Ca -0.08 0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1bgk h ALA 14 Cb 0.61 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1bgk h ALA 14 CO 0.13 -0.48 -0.00 -0.22 0.00 0.00 0.00 179.25 178.68 1bgk h LYS 15 N 0.02 -0.00 -0.47 0.00 1.63 -1.42 -2.38 116.57 113.94 1bgk h LYS 15 Ca 0.52 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 1bgk h LYS 15 Cb 0.96 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1bgk h LYS 15 CO -0.90 0.29 0.00 0.45 -3.45 0.00 0.00 179.45 175.84 1bgk n SER 16 N -4.95 2.24 -0.04 4.20 2.88 -0.31 -4.26 113.62 113.38 1bgk n SER 16 Ca -0.08 -2.12 -0.02 0.00 -1.33 0.00 0.00 58.87 55.32 1bgk n SER 16 Cb 0.16 -0.33 -0.01 0.00 -0.75 0.00 0.00 64.21 63.28 1bgk n SER 16 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1bgk h LEU 17 N 1.99 0.00 0.00 2.46 3.38 0.27 -3.49 115.31 119.92 1bgk h LEU 17 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bgk h LEU 17 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1bgk h LEU 17 CO 0.06 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.67 1bgk n GLY 18 N 1.72 0.57 0.00 0.83 0.00 -1.18 -5.04 105.19 102.09 1bgk n GLY 18 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.29 1.61 3.02 -1.23 -4.64 115.26 111.74 1bgk n ASN 19 Ca 0.00 0.35 -0.07 0.00 -0.03 0.00 0.00 54.58 54.82 1bgk n ASN 19 Cb 0.00 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.04 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 -2.00 0.00 0.06 0.00 1.74 -1.26 -4.84 116.66 110.36 1bgk n ARG 21 Ca 0.02 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.21 1bgk n ARG 21 Cb 0.33 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.74 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 0.38 -4.07 0.55 -2.24 -0.44 -4.76 114.28 103.69 1bgk n THR 22 Ca 0.00 -0.47 -0.35 0.00 -2.27 0.00 0.00 64.05 60.96 1bgk n THR 22 Cb 0.00 -0.15 -0.12 0.00 -2.10 0.00 0.00 70.33 67.96 1bgk n THR 22 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1bgk s SER 23 N -4.85 4.98 0.15 3.42 0.01 -1.26 -5.00 113.70 111.15 1bgk s SER 23 Ca -0.01 -0.15 -0.10 0.00 1.31 0.00 0.00 55.95 56.99 1bgk s SER 23 Cb 0.12 -1.85 -0.01 0.00 0.21 0.00 0.00 66.02 64.48 1bgk s SER 23 CO 0.82 0.08 1.52 1.56 0.41 0.00 0.00 173.24 177.63 1bgk h GLN 24 N 7.36 0.98 -0.12 12.44 4.20 -1.99 -1.12 115.11 136.87 1bgk h GLN 24 Ca -0.36 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 57.89 1bgk h GLN 24 Cb 1.18 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1bgk h GLN 24 CO 0.62 1.13 0.00 1.17 -0.67 0.00 0.00 178.83 181.08 1bgk n LYS 25 N -4.09 1.21 -0.01 1.46 4.81 -1.26 -1.52 118.16 118.77 1bgk n LYS 25 Ca -0.01 -0.32 -0.02 0.00 -0.87 0.00 0.00 58.31 57.09 1bgk n LYS 25 Cb 0.50 -1.09 -0.01 0.00 0.02 0.00 0.00 35.03 34.45 1bgk n LYS 25 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bgk n TYR 26 N -0.23 0.00 -0.05 5.64 4.02 -1.02 -3.28 117.16 122.25 1bgk n TYR 26 Ca 0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.84 1bgk n TYR 26 Cb 0.08 -0.14 -0.02 0.00 -0.02 0.00 0.00 39.34 39.24 1bgk n TYR 26 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1bgk h ARG 27 N -0.27 -0.00 0.03 -0.72 0.11 -1.32 0.49 114.38 112.70 1bgk h ARG 27 Ca 0.00 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.83 1bgk h ARG 27 Cb 0.27 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.33 1bgk h ARG 27 CO 0.00 -0.00 -1.35 0.00 0.10 0.00 0.00 179.97 178.72 1bgk h ALA 28 N 1.21 0.27 0.00 0.08 0.00 -1.44 -2.41 119.26 116.97 1bgk h ALA 28 Ca 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1bgk h ALA 28 Cb 0.17 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1bgk h ALA 28 CO -0.23 0.79 0.00 0.09 0.00 0.00 0.00 179.25 179.90 1bgk n ASN 29 N -4.22 0.00 -2.70 0.00 5.03 -1.12 -2.81 115.26 109.44 1bgk n ASN 29 Ca -0.30 -0.08 -0.07 0.00 0.87 0.00 0.00 54.58 55.01 1bgk n ASN 29 Cb 0.76 -0.23 0.06 0.00 -1.02 0.00 0.00 39.78 39.35 1bgk n ASN 29 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bgk n ALA 31 N -0.36 2.12 0.03 0.00 0.00 -0.91 -2.64 120.51 118.76 1bgk n ALA 31 Ca 0.05 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 1bgk n ALA 31 Cb 0.83 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 1bgk n ALA 31 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1bgk h LYS 32 N 0.00 0.17 0.08 0.00 2.10 -1.85 0.23 116.57 117.30 1bgk h LYS 32 Ca 0.00 -0.29 -0.29 0.00 -2.00 0.00 0.00 60.65 58.07 1bgk h LYS 32 Cb 0.01 0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 1bgk h LYS 32 CO 0.00 0.95 -1.46 1.15 -2.00 0.00 0.00 179.45 178.09 1bgk h THR 33 N 0.05 1.21 0.00 0.07 2.02 -1.83 -3.31 112.91 111.12 1bgk h THR 33 Ca -0.28 -2.89 0.00 0.00 0.77 0.00 0.00 66.41 64.01 1bgk h THR 33 Cb 2.01 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 71.15 1bgk h THR 33 CO 0.12 0.80 -1.13 0.00 0.37 0.00 0.00 175.52 175.68 1bgk n GLU 35 N -2.18 -1.26 0.00 0.00 1.02 -0.22 -4.89 120.64 113.10 1bgk n GLU 35 Ca 0.01 0.40 0.14 0.00 -0.02 0.00 0.00 57.16 57.69 1bgk n GLU 35 Cb 0.48 -4.30 0.48 0.00 -0.02 0.00 0.00 31.44 28.08 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 -1.49 1.02 -0.34 -4.62 4.77 0.65 -4.98 117.00 112.01 1bgk n LEU 36 Ca -0.08 -0.27 0.15 0.00 -0.03 0.00 0.00 56.01 55.78 1bgk n LEU 36 Cb 0.57 -0.10 0.65 0.00 -2.33 0.00 0.00 43.42 42.21 1bgk n LEU 36 CO 0.15 0.18 0.94 0.00 -1.33 0.00 0.00 177.39 177.34