#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 0.28 -0.53 -0.63 0.00 1.85 -1.26 -5.06 116.66 111.30 1bgk n ARG 3 Ca -0.13 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.41 1bgk n ARG 3 Cb 0.58 0.00 0.18 0.00 -1.05 0.00 0.00 32.46 32.17 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 -2.41 0.00 2.89 5.68 -1.20 -4.43 116.55 117.08 1bgk n ASP 4 Ca 0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 1bgk n ASP 4 Cb 0.00 -0.96 0.00 0.00 -1.14 0.00 0.00 41.12 39.02 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 -4.54 0.00 0.00 2.11 7.02 -0.81 -4.86 117.44 116.36 1bgk n TRP 5 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 1bgk n TRP 5 Cb 0.60 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.49 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 -0.20 0.00 0.17 -5.99 3.72 -1.26 -4.80 117.46 109.10 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 1.63 -0.05 0.00 0.00 176.76 178.34 1bgk n LYS 7 N 0.00 1.35 0.00 -1.08 4.01 -1.26 -4.82 118.16 116.35 1bgk n LYS 7 Ca 0.00 -0.79 0.00 0.00 -0.51 0.00 0.00 58.31 57.01 1bgk n LYS 7 Cb 0.00 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 1bgk n LYS 7 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1bgk n GLU 8 N 0.25 0.00 -0.09 1.97 2.13 -1.26 -4.51 120.64 119.13 1bgk n GLU 8 Ca 0.16 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.87 1bgk n GLU 8 Cb 0.75 -1.87 -0.15 0.00 0.27 0.00 0.00 31.44 30.44 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 -0.89 1.45 -0.33 6.31 -2.24 -1.26 -3.59 114.28 113.73 1bgk n THR 9 Ca 0.00 -0.82 0.18 0.00 -2.27 0.00 0.00 64.05 61.14 1bgk n THR 9 Cb 0.00 -0.67 0.42 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.90 1.94 0.46 6.98 0.00 -1.93 0.03 119.26 127.65 1bgk h ALA 10 Ca -0.50 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1bgk h ALA 10 Cb 2.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1bgk h ALA 10 CO 0.03 -0.35 -0.22 0.00 0.00 0.00 0.00 179.25 178.71 1bgk h ARG 12 N -0.62 0.00 0.39 0.00 2.43 -1.12 0.26 114.38 115.72 1bgk h ARG 12 Ca -0.06 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1bgk h ARG 12 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1bgk h ARG 12 CO 0.10 0.00 -0.19 1.25 -1.51 0.00 0.00 179.97 179.62 1bgk h HIS 13 N 0.00 -0.49 -1.16 2.20 2.76 -0.61 -1.67 115.15 116.18 1bgk h HIS 13 Ca 0.26 -0.01 0.33 0.00 -2.20 0.00 0.00 60.37 58.75 1bgk h HIS 13 Cb 1.71 0.16 -0.05 0.00 1.55 0.00 0.00 27.41 30.78 1bgk h HIS 13 CO 0.00 -0.31 0.82 0.00 -1.30 0.00 0.00 177.93 177.15 1bgk h ALA 14 N -1.71 3.00 -0.01 5.26 0.00 -0.41 0.86 119.26 126.25 1bgk h ALA 14 Ca -0.05 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1bgk h ALA 14 Cb 0.41 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1bgk h ALA 14 CO 0.09 -1.35 -0.84 -0.22 0.00 0.00 0.00 179.25 176.93 1bgk h LYS 15 N 0.05 0.19 0.00 0.00 1.63 -0.84 0.11 116.57 117.71 1bgk h LYS 15 Ca 0.57 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 1bgk h LYS 15 Cb 2.16 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.84 1bgk h LYS 15 CO -0.05 0.92 -1.38 0.43 -3.45 0.00 0.00 179.45 175.92 1bgk n SER 16 N -3.68 0.53 -0.08 4.20 7.64 0.18 -4.52 113.62 117.90 1bgk n SER 16 Ca -0.03 -0.42 -0.10 0.00 1.01 0.00 0.00 58.87 59.32 1bgk n SER 16 Cb 0.78 1.32 -0.06 0.00 -1.01 0.00 0.00 64.21 65.24 1bgk n SER 16 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1bgk h LEU 17 N 0.00 0.00 0.00 -3.43 4.07 -1.36 -3.49 115.31 111.10 1bgk h LEU 17 Ca 0.00 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1bgk h LEU 17 Cb 0.75 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1bgk h LEU 17 CO 0.00 0.96 0.00 0.61 -1.08 0.00 0.00 178.44 178.93 1bgk n GLY 18 N 1.59 0.54 0.01 0.83 0.00 -1.18 -5.00 105.19 101.98 1bgk n GLY 18 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.02 -0.37 1.61 3.02 -1.19 -3.38 115.26 114.96 1bgk n ASN 19 Ca 0.00 0.30 0.30 0.00 -0.03 0.00 0.00 54.58 55.16 1bgk n ASN 19 Cb 0.00 -0.30 0.50 0.00 -0.61 0.00 0.00 39.78 39.37 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 -3.89 0.13 -0.11 0.00 1.74 -1.22 -3.63 116.66 109.68 1bgk n ARG 21 Ca 0.29 -0.40 0.08 0.00 -0.77 0.00 0.00 57.85 57.05 1bgk n ARG 21 Cb 1.18 -0.67 0.13 0.00 -1.02 0.00 0.00 32.46 32.08 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 -0.06 0.40 -4.81 0.55 -2.24 -0.11 -4.92 114.28 103.09 1bgk n THR 22 Ca 0.00 -0.70 -0.28 0.00 -2.27 0.00 0.00 64.05 60.80 1bgk n THR 22 Cb 0.25 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.23 2.73 0.00 3.42 0.01 -0.97 -5.00 113.70 112.66 1bgk s SER 23 Ca 0.25 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1bgk s SER 23 Cb 0.15 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1bgk s SER 23 CO 0.22 0.21 0.51 0.00 0.41 0.00 0.00 173.24 174.59 1bgk n GLN 24 N 1.94 0.00 0.04 12.44 6.02 -1.26 -1.88 117.38 134.68 1bgk n GLN 24 Ca -0.17 0.44 -0.03 0.00 -0.01 0.00 0.00 57.00 57.23 1bgk n GLN 24 Cb 0.53 -1.21 -0.02 0.00 1.02 0.00 0.00 30.24 30.56 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 -0.16 -0.28 -1.09 3.64 -1.98 -1.62 116.57 115.08 1bgk h LYS 25 Ca 0.00 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1bgk h LYS 25 Cb 0.00 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 1bgk h LYS 25 CO 0.00 -0.11 -0.11 0.66 -2.27 0.00 0.00 179.45 177.63 1bgk n TYR 26 N -2.93 0.01 -0.05 1.91 4.02 -1.26 0.23 117.16 119.09 1bgk n TYR 26 Ca -0.02 0.34 -0.14 0.00 -0.01 0.00 0.00 57.90 58.08 1bgk n TYR 26 Cb 0.08 -0.61 -0.07 0.00 -0.02 0.00 0.00 39.34 38.72 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 0.42 0.00 -0.72 0.11 -1.10 -2.78 114.38 110.32 1bgk h ARG 27 Ca 0.10 -0.25 0.00 0.00 0.10 0.00 0.00 59.98 59.93 1bgk h ARG 27 Cb 0.17 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1bgk h ARG 27 CO -0.28 0.84 0.00 0.00 0.10 0.00 0.00 179.97 180.63 1bgk n ALA 28 N -2.46 0.00 -0.33 0.08 0.00 0.46 -3.59 120.51 114.67 1bgk n ALA 28 Ca -0.06 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.46 1bgk n ALA 28 Cb 0.43 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.16 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 0.00 -0.44 -2.59 0.00 -0.26 0.27 -0.46 115.58 112.10 1bgk h ASN 29 Ca 0.00 0.27 -0.77 0.00 -0.56 0.00 0.00 56.30 55.24 1bgk h ASN 29 Cb 0.00 0.47 -0.30 0.00 -1.06 0.00 0.00 38.32 37.43 1bgk h ASN 29 CO 0.00 -0.34 0.64 0.00 -1.06 0.00 0.00 177.43 176.67 1bgk n ALA 31 N 0.73 2.57 0.06 0.00 0.00 -0.18 -3.81 120.51 119.87 1bgk n ALA 31 Ca 0.33 -0.56 -0.00 0.00 0.00 0.00 0.00 53.44 53.21 1bgk n ALA 31 Cb 0.32 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 3.42 0.00 0.00 0.00 3.11 -1.84 0.96 116.57 122.21 1bgk h LYS 32 Ca 0.00 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 1bgk h LYS 32 Cb 0.74 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.96 1bgk h LYS 32 CO 0.00 0.39 -0.82 0.00 -2.81 0.00 0.00 179.45 176.21 1bgk h THR 33 N 0.00 0.47 0.00 1.00 1.03 -1.89 -3.34 112.91 110.19 1bgk h THR 33 Ca -0.12 -1.76 0.00 0.00 -0.01 0.00 0.00 66.41 64.53 1bgk h THR 33 Cb 1.56 2.07 0.00 0.00 -1.07 0.00 0.00 68.15 70.71 1bgk h THR 33 CO 0.06 0.27 0.00 0.00 -0.01 0.00 0.00 175.52 175.83 1bgk n GLU 35 N -0.01 -4.43 0.07 0.00 1.02 0.31 -4.81 120.64 112.78 1bgk n GLU 35 Ca 0.00 0.91 0.12 0.00 -0.02 0.00 0.00 57.16 58.17 1bgk n GLU 35 Cb 0.01 -5.74 0.29 0.00 -0.02 0.00 0.00 31.44 25.98 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 -3.89 0.68 0.00 -4.62 4.77 0.07 -4.99 117.00 109.02 1bgk n LEU 36 Ca -0.13 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1bgk n LEU 36 Cb 0.63 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1bgk n LEU 36 CO 0.45 -0.08 0.22 0.00 -1.33 0.00 0.00 177.39 176.65