#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 1.26 -4.53 2.24 0.00 -2.08 -3.48 119.26 112.67 1bjb h ALA 2 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1bjb h ALA 2 Cb 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 1bjb h ALA 2 CO 0.00 0.14 -1.22 -1.91 0.00 0.00 0.00 179.25 176.26 1bjb n GLU 3 N -3.61 -3.86 0.00 0.00 0.00 -1.26 -5.03 120.64 106.88 1bjb n GLU 3 Ca -0.02 2.98 0.00 0.00 0.00 0.00 0.00 57.16 60.12 1bjb n GLU 3 Cb 0.24 -4.25 0.00 0.00 0.00 0.00 0.00 31.44 27.43 1bjb n GLU 3 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 1bjb n PHE 4 N 1.41 0.00 0.76 4.31 -1.74 -1.26 -4.89 117.46 116.06 1bjb n PHE 4 Ca -0.29 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 56.71 1bjb n PHE 4 Cb 0.44 0.00 0.47 0.00 1.52 0.00 0.00 39.48 41.91 1bjb n PHE 4 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1bjb n ARG 5 N -1.21 0.01 0.31 3.97 5.12 -1.26 -1.20 116.66 122.40 1bjb n ARG 5 Ca 0.00 0.12 0.18 0.00 -1.93 0.00 0.00 57.85 56.22 1bjb n ARG 5 Cb 0.00 -1.50 0.98 0.00 -1.16 0.00 0.00 32.46 30.78 1bjb n ARG 5 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1bjb h HIS 6 N 0.00 0.00 0.00 -1.55 3.86 -2.01 -2.66 115.15 112.79 1bjb h HIS 6 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bjb h HIS 6 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1bjb h HIS 6 CO 0.00 0.02 -0.47 -0.25 0.86 0.00 0.00 177.93 178.09 1bjb n ASP 7 N -3.48 0.00 -4.11 2.45 8.00 -1.09 -5.01 116.55 113.31 1bjb n ASP 7 Ca -0.03 -1.94 -0.31 0.00 0.71 0.00 0.00 54.79 53.22 1bjb n ASP 7 Cb 0.12 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 1bjb n ASP 7 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1bjb n SER 8 N 0.00 -2.00 0.00 -2.24 2.88 -0.99 -3.98 113.62 107.29 1bjb n SER 8 Ca 0.00 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 1bjb n SER 8 Cb 0.69 -2.88 0.00 0.00 -0.75 0.00 0.00 64.21 61.27 1bjb n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bjb n GLY 9 N -1.70 0.67 3.16 0.46 0.00 -0.34 -4.99 105.19 102.45 1bjb n GLY 9 Ca -0.10 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1bjb n GLY 9 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1bjb n TYR 10 N 0.00 -3.80 -1.43 1.61 4.11 -1.16 -4.99 117.16 111.49 1bjb n TYR 10 Ca 0.00 -0.81 -0.30 0.00 -0.00 0.00 0.00 57.90 56.78 1bjb n TYR 10 Cb 0.00 -1.24 0.09 0.00 -0.00 0.00 0.00 39.34 38.19 1bjb n TYR 10 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 1bjb s GLU 11 N -5.07 2.18 0.15 -3.48 4.04 -1.26 -4.97 118.70 110.29 1bjb s GLU 11 Ca 0.67 0.86 0.00 0.00 0.04 0.00 0.00 54.97 56.54 1bjb s GLU 11 Cb -0.12 -1.91 0.00 0.00 0.02 0.00 0.00 34.13 32.12 1bjb s GLU 11 CO 0.56 -1.61 0.00 0.28 -1.84 0.00 0.00 175.26 172.65 1bjb n VAL 12 N -3.46 0.00 -1.50 1.83 0.31 -1.26 -5.05 118.33 109.20 1bjb n VAL 12 Ca 0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.39 1bjb n VAL 12 Cb 0.55 -0.41 -0.00 0.00 -0.91 0.00 0.00 33.84 33.06 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 -2.95 -0.03 0.00 3.52 8.25 -1.26 -4.95 115.22 117.80 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 0.00 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 30.17 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 -3.44 0.00 0.32 4.41 8.25 -1.26 -4.71 115.22 118.78 1bjb n HIS 14 Ca -0.02 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.65 1bjb n HIS 14 Cb 0.26 0.00 1.04 0.00 1.12 0.00 0.00 29.99 32.41 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 -0.52 -0.41 4.20 -1.99 -2.66 115.11 113.74 1bjb h GLN 15 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 1bjb h GLN 15 Cb 0.00 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.68 1bjb h GLN 15 CO 0.00 0.01 -0.24 1.49 -0.67 0.00 0.00 178.83 179.42 1bjb h GLU 16 N 0.00 -0.11 0.00 1.46 4.81 -1.94 0.18 114.58 118.98 1bjb h GLU 16 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1bjb h GLU 16 Cb 0.15 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1bjb h GLU 16 CO 0.00 -0.08 0.00 1.37 -0.73 0.00 0.00 179.01 179.58 1bjb h LEU 17 N -0.12 0.00 -1.12 1.64 8.10 -1.75 -2.84 115.31 119.22 1bjb h LEU 17 Ca 0.24 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.21 1bjb h LEU 17 Cb 0.49 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.71 1bjb h LEU 17 CO -0.59 0.00 -0.08 0.58 -4.11 0.00 0.00 178.44 174.24 1bjb h VAL 18 N 0.00 0.20 0.00 0.15 2.07 -0.73 0.29 116.25 118.23 1bjb h VAL 18 Ca 0.00 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 1bjb h VAL 18 Cb 0.82 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1bjb h VAL 18 CO 0.00 0.08 -0.31 -0.26 0.02 0.00 0.00 177.57 177.10 1bjb h PHE 19 N 0.00 0.00 0.06 1.57 0.04 -0.92 0.13 116.94 117.82 1bjb h PHE 19 Ca -0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1bjb h PHE 19 Cb 0.67 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.83 1bjb h PHE 19 CO 0.00 0.31 -0.42 0.35 -0.60 0.00 0.00 178.31 177.95 1bjb h PHE 20 N 0.00 0.22 -0.99 -0.55 3.57 -1.21 -2.24 116.94 115.75 1bjb h PHE 20 Ca -0.00 -0.16 0.04 0.00 3.53 0.00 0.00 57.97 61.38 1bjb h PHE 20 Cb 1.04 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.71 1bjb h PHE 20 CO 0.00 1.16 0.65 0.00 -2.23 0.00 0.00 178.31 177.89 1bjb h ALA 21 N 0.00 1.33 -0.68 2.41 0.00 -0.92 0.94 119.26 122.35 1bjb h ALA 21 Ca -0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bjb h ALA 21 Cb 1.29 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1bjb h ALA 21 CO 0.05 0.52 0.41 1.49 0.00 0.00 0.00 179.25 181.71 1bjb h GLU 22 N 1.23 0.91 -0.03 0.00 4.22 -0.76 -0.92 114.58 119.23 1bjb h GLU 22 Ca 0.40 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.76 1bjb h GLU 22 Cb 0.04 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1bjb h GLU 22 CO -0.14 0.64 -0.01 0.22 -2.18 0.00 0.00 179.01 177.55 1bjb h ASP 23 N 0.93 0.07 0.01 1.04 3.58 -0.24 -3.20 116.42 118.60 1bjb h ASP 23 Ca 0.24 -0.35 0.03 0.00 0.42 0.00 0.00 57.03 57.37 1bjb h ASP 23 Cb -0.04 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 1bjb h ASP 23 CO -0.05 0.40 -0.25 0.58 -2.88 0.00 0.00 179.24 177.05 1bjb h VAL 24 N -0.27 0.43 0.00 2.25 2.07 -0.70 -3.46 116.25 116.57 1bjb h VAL 24 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1bjb h VAL 24 Cb 0.37 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1bjb h VAL 24 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1bjb n GLY 25 N -1.37 1.76 0.33 2.17 0.00 -0.39 -4.74 105.19 102.94 1bjb n GLY 25 Ca -0.05 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1bjb n GLY 25 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1bjb h SER 26 N 0.00 0.18 -0.01 1.61 0.02 -1.89 -1.24 113.55 112.23 1bjb h SER 26 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bjb h SER 26 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1bjb h SER 26 CO 0.00 0.12 -0.45 -0.46 -1.14 0.00 0.00 176.83 174.90 1bjb n ASN 27 N -4.47 1.11 0.00 3.07 6.94 -1.26 -5.22 115.26 115.42 1bjb n ASN 27 Ca 0.05 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.56 1bjb n ASN 27 Cb 0.30 0.71 0.00 0.00 -2.36 0.00 0.00 39.78 38.43 1bjb n ASN 27 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52