#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjb h ALA 2 N 0.00 1.00 -1.95 -1.67 0.00 -2.08 -3.45 119.26 111.10 1bjb h ALA 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1bjb h ALA 2 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 1bjb h ALA 2 CO 0.00 0.00 -0.33 0.39 0.00 0.00 0.00 179.25 179.31 1bjb n GLU 3 N -2.56 -1.55 -0.33 0.00 1.02 -1.26 -4.83 120.64 111.13 1bjb n GLU 3 Ca 0.00 0.88 0.11 0.00 -0.02 0.00 0.00 57.16 58.12 1bjb n GLU 3 Cb 0.17 -5.27 0.31 0.00 -0.02 0.00 0.00 31.44 26.63 1bjb n GLU 3 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1bjb h PHE 4 N 0.00 1.01 0.00 -0.32 3.57 -1.95 0.53 116.94 119.78 1bjb h PHE 4 Ca -0.34 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1bjb h PHE 4 Cb 1.10 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1bjb h PHE 4 CO 0.50 0.34 0.00 2.89 -2.23 0.00 0.00 178.31 179.82 1bjb n ARG 5 N -4.64 0.84 0.09 1.11 0.00 -1.26 -1.05 116.66 111.75 1bjb n ARG 5 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 1bjb n ARG 5 Cb 0.46 -1.32 0.00 0.00 -0.00 0.00 0.00 32.46 31.60 1bjb n ARG 5 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1bjb n HIS 6 N -0.06 -1.29 1.41 2.89 8.25 0.04 -4.09 115.22 122.36 1bjb n HIS 6 Ca 0.00 0.23 0.04 0.00 -0.26 0.00 0.00 57.72 57.73 1bjb n HIS 6 Cb 0.16 0.33 0.13 0.00 1.12 0.00 0.00 29.99 31.73 1bjb n HIS 6 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1bjb n ASP 7 N -3.40 1.02 -0.47 0.41 5.68 -0.37 -3.64 116.55 115.78 1bjb n ASP 7 Ca 0.00 -1.95 -0.02 0.00 -0.50 0.00 0.00 54.79 52.33 1bjb n ASP 7 Cb 0.03 -0.12 -0.02 0.00 -1.14 0.00 0.00 41.12 39.87 1bjb n ASP 7 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1bjb n SER 8 N 0.04 -0.22 0.02 -1.12 2.88 -0.43 -4.97 113.62 109.81 1bjb n SER 8 Ca 0.08 -0.70 -0.22 0.00 -1.33 0.00 0.00 58.87 56.70 1bjb n SER 8 Cb 0.17 0.07 -0.14 0.00 -0.75 0.00 0.00 64.21 63.56 1bjb n SER 8 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1bjb h GLY 9 N 0.00 0.32 -2.33 0.46 0.00 -1.16 -3.43 103.07 96.94 1bjb h GLY 9 Ca -0.13 -0.82 -0.56 0.00 0.00 0.00 0.00 47.33 45.83 1bjb h GLY 9 CO -0.06 0.72 0.16 1.58 0.00 0.00 0.00 176.54 178.93 1bjb n TYR 10 N -3.80 0.87 -2.59 5.60 4.11 -1.26 -4.92 117.16 115.17 1bjb n TYR 10 Ca -0.26 0.41 -0.40 0.00 -0.00 0.00 0.00 57.90 57.65 1bjb n TYR 10 Cb 0.96 -2.12 -0.05 0.00 -0.00 0.00 0.00 39.34 38.13 1bjb n TYR 10 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1bjb s GLU 11 N -3.12 4.71 0.11 -3.48 2.02 -1.26 -4.90 118.70 112.78 1bjb s GLU 11 Ca 0.76 1.66 0.00 0.00 0.02 0.00 0.00 54.97 57.41 1bjb s GLU 11 Cb -0.38 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.61 1bjb s GLU 11 CO 0.47 0.29 0.00 0.28 0.02 0.00 0.00 175.26 176.32 1bjb n VAL 12 N 1.60 0.53 -0.41 2.63 0.31 -1.26 -5.04 118.33 116.69 1bjb n VAL 12 Ca -0.01 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1bjb n VAL 12 Cb 0.46 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 1bjb n VAL 12 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1bjb n HIS 13 N -3.27 0.00 0.00 3.52 8.25 -1.26 -4.94 115.22 117.52 1bjb n HIS 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1bjb n HIS 13 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1bjb n HIS 13 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1bjb n HIS 14 N -2.00 0.00 0.14 4.41 8.25 -1.26 -4.47 115.22 120.29 1bjb n HIS 14 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.65 1bjb n HIS 14 Cb 0.00 0.00 0.77 0.00 1.12 0.00 0.00 29.99 31.88 1bjb n HIS 14 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1bjb h GLN 15 N 0.00 0.00 -0.74 -0.41 7.50 -1.98 -1.66 115.11 117.82 1bjb h GLN 15 Ca 0.00 0.00 0.17 0.00 0.50 0.00 0.00 58.65 59.32 1bjb h GLN 15 Cb 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.40 1bjb h GLN 15 CO 0.00 0.00 0.01 1.49 -1.50 0.00 0.00 178.83 178.83 1bjb h GLU 16 N 0.00 0.10 0.00 1.46 4.81 -1.93 0.21 114.58 119.23 1bjb h GLU 16 Ca 0.15 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1bjb h GLU 16 Cb 0.90 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1bjb h GLU 16 CO -0.00 0.07 -0.70 -0.07 -0.73 0.00 0.00 179.01 177.57 1bjb h LEU 17 N 0.11 0.00 -1.45 1.64 3.38 -1.52 -3.08 115.31 114.38 1bjb h LEU 17 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1bjb h LEU 17 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1bjb h LEU 17 CO -0.65 0.45 0.00 0.58 0.09 0.00 0.00 178.44 178.91 1bjb h VAL 18 N 0.00 0.00 0.00 1.22 2.07 -0.63 0.62 116.25 119.53 1bjb h VAL 18 Ca -0.04 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1bjb h VAL 18 Cb 1.37 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1bjb h VAL 18 CO 0.05 0.00 -0.27 -0.26 0.02 0.00 0.00 177.57 177.11 1bjb h PHE 19 N 0.00 0.00 0.03 1.57 0.04 -0.81 0.22 116.94 117.99 1bjb h PHE 19 Ca 0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1bjb h PHE 19 Cb 0.42 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1bjb h PHE 19 CO 0.00 0.27 -0.78 0.35 -0.60 0.00 0.00 178.31 177.55 1bjb h PHE 20 N 0.00 0.12 -0.54 -0.55 3.57 -1.09 -3.17 116.94 115.28 1bjb h PHE 20 Ca -0.00 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.45 1bjb h PHE 20 Cb 0.95 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 1bjb h PHE 20 CO 0.00 1.31 0.36 0.00 -2.23 0.00 0.00 178.31 177.74 1bjb h ALA 21 N -0.18 1.77 -0.78 2.41 0.00 -0.90 0.04 119.26 121.62 1bjb h ALA 21 Ca -0.19 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1bjb h ALA 21 Cb 1.30 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1bjb h ALA 21 CO -0.05 0.16 0.48 0.93 0.00 0.00 0.00 179.25 180.76 1bjb h GLU 22 N 0.58 0.87 0.13 0.00 5.08 -0.62 -0.44 114.58 120.19 1bjb h GLU 22 Ca 0.22 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1bjb h GLU 22 Cb 0.15 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1bjb h GLU 22 CO -0.06 0.57 -0.06 0.38 -1.00 0.00 0.00 179.01 178.84 1bjb h ASP 23 N 0.89 -0.15 -0.31 1.42 3.04 -1.00 -3.24 116.42 117.07 1bjb h ASP 23 Ca 0.33 -0.27 0.07 0.00 -3.24 0.00 0.00 57.03 53.93 1bjb h ASP 23 Cb 0.12 0.04 -0.07 0.00 -1.04 0.00 0.00 39.33 38.37 1bjb h ASP 23 CO -0.15 0.20 -0.17 0.58 -2.04 0.00 0.00 179.24 177.65 1bjb h VAL 24 N -0.51 0.49 0.00 4.15 2.07 -0.94 -3.29 116.25 118.22 1bjb h VAL 24 Ca -0.02 0.00 -0.49 0.00 0.82 0.00 0.00 66.70 67.02 1bjb h VAL 24 Cb 0.40 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 30.59 1bjb h VAL 24 CO 0.03 0.00 1.55 0.61 0.02 0.00 0.00 177.57 179.78 1bjb n GLY 25 N -1.34 -0.41 3.83 2.17 0.00 -0.20 -1.28 105.19 107.96 1bjb n GLY 25 Ca 0.01 1.05 -0.28 0.00 0.00 0.00 0.00 46.02 46.80 1bjb n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bjb n SER 26 N 9.23 -1.60 -2.82 1.61 2.88 -1.26 -1.61 113.62 120.05 1bjb n SER 26 Ca 0.59 -0.64 -0.07 0.00 -1.33 0.00 0.00 58.87 57.42 1bjb n SER 26 Cb 0.02 -1.43 -0.01 0.00 -0.75 0.00 0.00 64.21 62.03 1bjb n SER 26 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1bjb n ASN 27 N -2.13 -1.29 0.00 -3.46 0.23 -0.40 -5.18 115.26 103.03 1bjb n ASN 27 Ca 0.08 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 1bjb n ASN 27 Cb 0.47 -1.22 0.00 0.00 -2.08 0.00 0.00 39.78 36.95 1bjb n ASN 27 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62