#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 -2.41 0.00 -0.83 0.00 1.85 -1.26 -4.99 116.66 109.02 1bgk n ARG 3 Ca 0.04 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.55 1bgk n ARG 3 Cb 0.58 0.00 0.11 0.00 -1.05 0.00 0.00 32.46 32.10 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 0.00 -3.11 0.00 2.89 5.75 -1.24 -4.42 116.55 116.43 1bgk n ASP 4 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 1bgk n ASP 4 Cb 0.00 -0.99 0.00 0.00 -1.03 0.00 0.00 41.12 39.10 1bgk n ASP 4 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bgk n TRP 5 N -3.52 0.00 0.00 2.11 7.02 0.24 -4.86 117.44 118.43 1bgk n TRP 5 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1bgk n TRP 5 Cb 0.58 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.47 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 -0.14 0.00 0.22 -5.99 3.72 -1.26 -4.80 117.46 109.20 1bgk n PHE 6 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 1bgk n PHE 6 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1bgk n PHE 6 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1bgk n LYS 7 N 0.00 1.33 0.00 -1.08 3.00 -1.26 -4.83 118.16 115.32 1bgk n LYS 7 Ca 0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 58.31 57.54 1bgk n LYS 7 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 33.73 1bgk n LYS 7 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1bgk n GLU 8 N 0.25 0.00 -0.07 1.64 2.13 -1.26 -4.50 120.64 118.82 1bgk n GLU 8 Ca 0.15 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.86 1bgk n GLU 8 Cb 0.74 -1.54 -0.15 0.00 0.27 0.00 0.00 31.44 30.77 1bgk n GLU 8 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1bgk n THR 9 N -0.63 1.49 -0.34 6.31 -2.24 -1.26 -3.54 114.28 114.08 1bgk n THR 9 Ca 0.00 -0.79 0.16 0.00 -2.27 0.00 0.00 64.05 61.15 1bgk n THR 9 Cb 0.00 -0.85 0.37 0.00 -2.10 0.00 0.00 70.33 67.76 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 0.80 1.79 0.42 6.98 0.00 -1.93 0.18 119.26 127.50 1bgk h ALA 10 Ca -0.47 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1bgk h ALA 10 Cb 2.12 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 1bgk h ALA 10 CO 0.03 -0.22 -0.24 0.00 0.00 0.00 0.00 179.25 178.82 1bgk h ARG 12 N -0.62 0.00 0.00 0.00 2.43 -0.79 0.31 114.38 115.71 1bgk h ARG 12 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1bgk h ARG 12 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1bgk h ARG 12 CO 0.06 0.00 0.00 1.58 -1.51 0.00 0.00 179.97 180.10 1bgk n HIS 13 N -3.41 0.00 -0.24 2.20 -0.00 -0.12 -2.07 115.22 111.57 1bgk n HIS 13 Ca 0.20 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.52 1bgk n HIS 13 Cb 1.31 -0.29 0.27 0.00 -0.12 0.00 0.00 29.99 31.16 1bgk n HIS 13 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bgk n ALA 14 N -1.38 0.47 0.01 1.57 0.00 0.10 0.52 120.51 121.81 1bgk n ALA 14 Ca 0.00 0.76 -0.10 0.00 0.00 0.00 0.00 53.44 54.10 1bgk n ALA 14 Cb 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 1bgk n ALA 14 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1bgk h LYS 15 N 0.00 -0.06 -0.02 0.00 3.11 -1.20 -0.78 116.57 117.61 1bgk h LYS 15 Ca 0.48 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.33 1bgk h LYS 15 Cb 1.10 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 1bgk h LYS 15 CO -0.64 -0.04 -0.05 0.45 -2.81 0.00 0.00 179.45 176.36 1bgk n SER 16 N -5.18 2.17 -0.11 4.20 2.88 0.18 -4.48 113.62 113.29 1bgk n SER 16 Ca -0.05 -1.69 -0.21 0.00 -1.33 0.00 0.00 58.87 55.60 1bgk n SER 16 Cb 0.11 0.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.54 1bgk n SER 16 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1bgk n LEU 17 N 0.64 1.78 0.00 2.46 4.77 0.03 -5.05 117.00 121.63 1bgk n LEU 17 Ca 0.16 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1bgk n LEU 17 Cb 0.47 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1bgk n LEU 17 CO 0.17 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1bgk n GLY 18 N 1.51 0.82 0.35 -0.72 0.00 -0.87 -4.98 105.19 101.31 1bgk n GLY 18 Ca -0.38 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.68 1bgk n GLY 18 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bgk h ASN 19 N 0.00 0.00 -0.84 1.61 2.35 -1.89 -2.80 115.58 114.01 1bgk h ASN 19 Ca 0.00 0.00 0.33 0.00 -0.55 0.00 0.00 56.30 56.08 1bgk h ASN 19 Cb 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.25 1bgk h ASN 19 CO 0.00 0.00 0.49 0.00 -1.65 0.00 0.00 177.43 176.27 1bgk n ARG 21 N -4.50 0.34 -0.00 0.00 1.74 -1.05 -2.99 116.66 110.20 1bgk n ARG 21 Ca 0.29 -0.54 0.08 0.00 -0.77 0.00 0.00 57.85 56.91 1bgk n ARG 21 Cb 1.03 -0.72 -0.10 0.00 -1.02 0.00 0.00 32.46 31.65 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 -0.10 0.00 -4.50 0.55 -2.24 -0.25 -4.94 114.28 102.80 1bgk n THR 22 Ca 0.00 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 1bgk n THR 22 Cb 0.25 0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 69.33 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 -2.65 3.49 0.05 3.42 0.01 -0.84 -4.99 113.70 112.19 1bgk s SER 23 Ca 0.06 -0.64 -0.12 0.00 1.31 0.00 0.00 55.95 56.56 1bgk s SER 23 Cb 0.13 -0.36 -0.30 0.00 0.21 0.00 0.00 66.02 65.70 1bgk s SER 23 CO 0.70 0.20 1.08 1.56 0.41 0.00 0.00 173.24 177.20 1bgk h GLN 24 N 4.09 0.51 -1.46 12.44 4.20 -1.92 -1.71 115.11 131.26 1bgk h GLN 24 Ca -0.49 -0.77 -0.69 0.00 0.06 0.00 0.00 58.65 56.75 1bgk h GLN 24 Cb 1.16 0.27 -0.27 0.00 0.30 0.00 0.00 27.48 28.95 1bgk h GLN 24 CO 0.43 1.36 0.91 1.17 -0.67 0.00 0.00 178.83 182.02 1bgk n LYS 25 N -3.70 2.66 0.14 1.46 4.81 -1.26 -0.65 118.16 121.61 1bgk n LYS 25 Ca -0.13 -3.26 0.00 0.00 -0.87 0.00 0.00 58.31 54.05 1bgk n LYS 25 Cb 1.03 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.84 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 -0.63 -2.51 0.04 5.64 4.02 -1.24 -4.15 117.16 118.32 1bgk n TYR 26 Ca 0.57 0.52 -0.10 0.00 -0.01 0.00 0.00 57.90 58.88 1bgk n TYR 26 Cb 0.48 0.93 0.03 0.00 -0.02 0.00 0.00 39.34 40.76 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 0.00 0.46 0.01 -0.72 0.11 -1.20 0.28 114.38 113.32 1bgk h ARG 27 Ca 0.00 -0.36 -0.40 0.00 0.10 0.00 0.00 59.98 59.32 1bgk h ARG 27 Cb 0.00 0.07 -0.06 0.00 1.11 0.00 0.00 29.97 31.09 1bgk h ARG 27 CO 0.00 0.99 -2.23 0.00 0.10 0.00 0.00 179.97 178.83 1bgk n ALA 28 N -2.52 1.12 0.20 0.08 0.00 0.17 -3.45 120.51 116.12 1bgk n ALA 28 Ca -0.04 -0.94 0.08 0.00 0.00 0.00 0.00 53.44 52.54 1bgk n ALA 28 Cb 0.69 -0.10 0.34 0.00 0.00 0.00 0.00 19.45 20.38 1bgk n ALA 28 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1bgk h ASN 29 N -0.80 0.00 -2.16 0.00 -0.26 -1.60 -3.33 115.58 107.43 1bgk h ASN 29 Ca -0.60 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 54.56 1bgk h ASN 29 Cb 1.61 0.00 -0.41 0.00 -1.06 0.00 0.00 38.32 38.46 1bgk h ASN 29 CO -0.30 0.29 -0.76 0.00 -1.06 0.00 0.00 177.43 175.60 1bgk n ALA 31 N 1.07 2.75 0.08 0.00 0.00 -1.22 -3.97 120.51 119.21 1bgk n ALA 31 Ca 0.27 -0.64 0.03 0.00 0.00 0.00 0.00 53.44 53.10 1bgk n ALA 31 Cb 0.45 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 3.76 0.00 0.00 0.00 3.11 -1.87 0.18 116.57 121.74 1bgk h LYS 32 Ca 0.00 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 1bgk h LYS 32 Cb 0.86 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.08 1bgk h LYS 32 CO 0.00 0.29 -0.80 0.00 -2.81 0.00 0.00 179.45 176.13 1bgk h THR 33 N 0.00 0.21 -0.00 1.00 1.03 -1.89 -3.34 112.91 109.92 1bgk h THR 33 Ca -0.09 -1.35 0.00 0.00 -0.01 0.00 0.00 66.41 64.96 1bgk h THR 33 Cb 1.42 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 70.33 1bgk h THR 33 CO 0.04 0.12 0.00 0.00 -0.01 0.00 0.00 175.52 175.67 1bgk n GLU 35 N -0.03 -3.37 0.00 0.00 1.02 0.38 -4.84 120.64 113.81 1bgk n GLU 35 Ca 0.00 0.86 0.13 0.00 -0.02 0.00 0.00 57.16 58.13 1bgk n GLU 35 Cb 0.03 -5.49 0.50 0.00 -0.02 0.00 0.00 31.44 26.46 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 -3.31 0.35 0.00 -4.62 4.77 0.19 -5.00 117.00 109.38 1bgk n LEU 36 Ca -0.15 0.15 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1bgk n LEU 36 Cb 0.63 -0.30 0.59 0.00 -2.33 0.00 0.00 43.42 42.01 1bgk n LEU 36 CO 0.37 0.08 0.78 0.00 -1.33 0.00 0.00 177.39 177.28