#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 -2.65 -1.18 -0.39 0.00 1.85 -1.26 -5.06 116.66 107.97 1bgk n ARG 3 Ca 0.11 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.89 1bgk n ARG 3 Cb 0.60 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 32.06 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 2.17 -0.24 0.00 2.89 5.68 -1.25 -3.76 116.55 122.03 1bgk n ASP 4 Ca 0.00 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1bgk n ASP 4 Cb 0.00 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 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 -2.54 0.00 -0.17 2.11 7.02 0.64 -4.77 117.44 119.72 1bgk n TRP 5 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1bgk n TRP 5 Cb 0.13 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 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 -0.98 0.00 -2.45 -5.99 3.72 -1.26 -4.93 117.46 105.57 1bgk n PHE 6 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 1bgk n PHE 6 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1bgk n PHE 6 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1bgk s LYS 7 N 1.34 3.98 0.54 -1.08 -0.14 -1.26 -4.81 119.74 118.30 1bgk s LYS 7 Ca 0.00 1.57 0.25 0.00 -1.36 0.00 0.00 55.97 56.43 1bgk s LYS 7 Cb 0.00 -2.43 1.37 0.00 -1.68 0.00 0.00 37.83 35.09 1bgk s LYS 7 CO 0.00 -0.32 1.74 0.93 -0.76 0.00 0.00 175.35 176.94 1bgk h GLU 8 N 2.21 0.00 0.01 1.68 3.07 -1.99 0.20 114.58 119.76 1bgk h GLU 8 Ca -0.49 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.07 1bgk h GLU 8 Cb 1.23 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.09 1bgk h GLU 8 CO 0.61 0.00 -1.74 0.25 -1.40 0.00 0.00 179.01 176.73 1bgk n THR 9 N -2.60 1.62 -0.32 1.13 -2.24 -1.26 -3.23 114.28 107.38 1bgk n THR 9 Ca -0.02 -0.79 0.15 0.00 -2.27 0.00 0.00 64.05 61.12 1bgk n THR 9 Cb 0.32 -1.08 0.33 0.00 -2.10 0.00 0.00 70.33 67.79 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 0.93 1.53 0.52 6.98 0.00 -0.93 0.17 119.26 128.47 1bgk h ALA 10 Ca -0.30 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1bgk h ALA 10 Cb 2.02 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1bgk h ALA 10 CO 0.08 -0.34 -0.25 0.00 0.00 0.00 0.00 179.25 178.74 1bgk h ARG 12 N -0.70 0.01 0.25 0.00 2.43 -0.69 0.91 114.38 116.59 1bgk h ARG 12 Ca -0.07 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1bgk h ARG 12 Cb 0.54 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1bgk h ARG 12 CO 0.12 0.00 -0.12 1.25 -1.51 0.00 0.00 179.97 179.71 1bgk h HIS 13 N 0.01 -0.31 0.44 2.20 2.76 -0.65 0.30 115.15 119.90 1bgk h HIS 13 Ca 0.87 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 59.01 1bgk h HIS 13 Cb 3.44 0.10 0.00 0.00 1.55 0.00 0.00 27.41 32.50 1bgk h HIS 13 CO -0.00 -0.06 -0.21 0.00 -1.30 0.00 0.00 177.93 176.36 1bgk h ALA 14 N 0.19 -0.92 -0.13 5.26 0.00 0.91 0.25 119.26 124.81 1bgk h ALA 14 Ca -0.03 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1bgk h ALA 14 Cb 0.38 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1bgk h ALA 14 CO 0.06 -0.88 0.30 0.87 0.00 0.00 0.00 179.25 179.60 1bgk h LYS 15 N -0.73 0.00 0.00 0.00 1.79 -1.20 0.22 116.57 116.65 1bgk h LYS 15 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1bgk h LYS 15 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1bgk h LYS 15 CO 0.10 0.00 -1.60 0.45 -1.08 0.00 0.00 179.45 177.32 1bgk n SER 16 N -3.27 0.36 -0.06 0.86 2.88 0.09 -4.55 113.62 109.93 1bgk n SER 16 Ca 0.01 -0.27 -0.22 0.00 -1.33 0.00 0.00 58.87 57.06 1bgk n SER 16 Cb 0.40 1.56 -0.13 0.00 -0.75 0.00 0.00 64.21 65.29 1bgk n SER 16 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 1bgk h LEU 17 N 0.00 0.18 0.00 2.46 8.10 0.15 -3.49 115.31 122.71 1bgk h LEU 17 Ca 0.00 -0.70 0.00 0.00 0.11 0.00 0.00 57.88 57.29 1bgk h LEU 17 Cb 0.84 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 41.00 1bgk h LEU 17 CO 0.00 1.62 0.00 0.61 -4.11 0.00 0.00 178.44 176.56 1bgk n GLY 18 N 1.65 -0.20 1.70 0.17 0.00 -0.71 -5.01 105.19 102.79 1bgk n GLY 18 Ca -0.31 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 3.79 -1.70 1.61 3.02 -0.94 -4.46 115.26 116.57 1bgk n ASN 19 Ca 0.00 -2.90 -0.06 0.00 -0.03 0.00 0.00 54.58 51.58 1bgk n ASN 19 Cb 0.00 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.42 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 1.46 0.00 0.01 0.00 1.74 -1.26 -4.92 116.66 113.69 1bgk n ARG 21 Ca 0.15 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.35 1bgk n ARG 21 Cb 0.59 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 32.17 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 0.03 -4.44 0.55 -2.24 -1.26 -4.83 114.28 102.09 1bgk n THR 22 Ca 0.00 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 1bgk n THR 22 Cb 0.00 0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.52 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 -3.14 4.54 0.00 3.42 0.15 -1.25 -5.02 113.70 112.40 1bgk s SER 23 Ca 0.09 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1bgk s SER 23 Cb 0.17 -1.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 1bgk s SER 23 CO 0.75 0.27 0.12 1.67 1.20 0.00 0.00 173.24 177.24 1bgk n GLN 24 N 1.43 0.00 -0.27 5.44 7.27 -1.26 -1.22 117.38 128.77 1bgk n GLN 24 Ca -0.15 0.40 0.04 0.00 0.07 0.00 0.00 57.00 57.36 1bgk n GLN 24 Cb 0.52 -0.97 0.18 0.00 2.41 0.00 0.00 30.24 32.38 1bgk n GLN 24 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1bgk h LYS 25 N 0.00 0.57 0.00 3.69 3.64 -1.97 -0.74 116.57 121.76 1bgk h LYS 25 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1bgk h LYS 25 Cb 0.00 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1bgk h LYS 25 CO 0.00 0.38 0.00 0.66 -2.27 0.00 0.00 179.45 178.22 1bgk n TYR 26 N -4.88 0.00 -0.23 1.91 4.02 -1.26 0.25 117.16 116.96 1bgk n TYR 26 Ca 0.14 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.91 1bgk n TYR 26 Cb 0.35 -0.10 -0.10 0.00 -0.02 0.00 0.00 39.34 39.47 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 -0.23 0.00 -0.72 0.11 -0.89 0.21 114.38 112.86 1bgk h ARG 27 Ca 0.00 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1bgk h ARG 27 Cb 0.00 0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1bgk h ARG 27 CO 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 179.97 179.92 1bgk n ALA 28 N -3.13 -0.26 0.00 0.08 0.00 -0.31 -2.33 120.51 114.56 1bgk n ALA 28 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1bgk n ALA 28 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1bgk n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bgk n ASN 29 N -1.76 0.00 -2.62 0.00 5.03 0.68 -0.03 115.26 116.56 1bgk n ASN 29 Ca 0.00 0.21 -0.09 0.00 0.87 0.00 0.00 54.58 55.58 1bgk n ASN 29 Cb 0.00 -0.21 0.04 0.00 -1.02 0.00 0.00 39.78 38.58 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 -0.48 1.78 0.05 0.00 0.00 0.96 -1.23 120.51 121.58 1bgk n ALA 31 Ca 0.17 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 1bgk n ALA 31 Cb 0.82 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 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 0.00 0.32 0.00 0.00 3.64 -1.84 0.29 116.57 118.97 1bgk h LYS 32 Ca 0.00 -0.54 -0.09 0.00 -1.27 0.00 0.00 60.65 58.75 1bgk h LYS 32 Cb 0.23 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1bgk h LYS 32 CO 0.00 1.22 -0.45 1.15 -2.27 0.00 0.00 179.45 179.10 1bgk h THR 33 N 0.09 0.83 -0.01 1.00 2.02 -1.85 -3.20 112.91 111.79 1bgk h THR 33 Ca -0.35 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 64.86 1bgk h THR 33 Cb 2.07 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 70.74 1bgk h THR 33 CO 0.14 0.44 -0.34 0.00 0.37 0.00 0.00 175.52 176.13 1bgk n GLU 35 N -0.62 -2.11 0.01 0.00 1.02 0.76 -4.81 120.64 114.89 1bgk n GLU 35 Ca 0.04 0.99 0.13 0.00 -0.02 0.00 0.00 57.16 58.30 1bgk n GLU 35 Cb 0.21 -5.68 0.42 0.00 -0.02 0.00 0.00 31.44 26.37 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 -3.14 0.29 0.00 -4.62 4.77 0.21 -4.99 117.00 109.53 1bgk n LEU 36 Ca -0.23 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1bgk n LEU 36 Cb 0.68 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1bgk n LEU 36 CO 0.31 0.05 0.00 0.00 -1.33 0.00 0.00 177.39 176.42