#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 -1.02 2.24 0.00 -2.09 -3.46 119.26 115.93 1bjb h ALA 2 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1bjb h ALA 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 1bjb h ALA 2 CO 0.00 0.00 -0.23 -0.85 0.00 0.00 0.00 179.25 178.17 1bjb n GLU 3 N -2.58 -1.47 0.15 0.00 -0.00 -1.26 -4.87 120.64 110.62 1bjb n GLU 3 Ca 0.01 0.81 -0.16 0.00 -0.00 0.00 0.00 57.16 57.83 1bjb n GLU 3 Cb 0.25 -5.04 -0.09 0.00 -0.00 0.00 0.00 31.44 26.56 1bjb n GLU 3 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1bjb h PHE 4 N 0.00 -1.32 0.00 -1.84 3.04 -1.98 -1.93 116.94 112.91 1bjb h PHE 4 Ca -0.26 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.72 1bjb h PHE 4 Cb 0.96 0.55 0.00 0.00 2.56 0.00 0.00 35.95 40.02 1bjb h PHE 4 CO 0.44 -0.57 0.00 2.89 -2.02 0.00 0.00 178.31 179.05 1bjb n ARG 5 N -5.49 0.27 0.08 1.11 0.00 -1.26 0.08 116.66 111.45 1bjb n ARG 5 Ca -0.08 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.88 1bjb n ARG 5 Cb 0.40 -1.00 -0.04 0.00 -0.00 0.00 0.00 32.46 31.83 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 -0.49 0.74 -1.97 2.89 8.25 -0.73 -4.35 115.22 119.57 1bjb n HIS 6 Ca 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1bjb n HIS 6 Cb 0.00 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.26 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 -2.57 0.00 -1.93 0.41 5.75 -0.77 -4.98 116.55 112.47 1bjb n ASP 7 Ca -0.01 -1.36 -0.14 0.00 -0.01 0.00 0.00 54.79 53.28 1bjb n ASP 7 Cb 0.55 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 1bjb n ASP 7 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1bjb n SER 8 N 0.00 -3.92 -2.99 -1.12 2.88 0.11 -1.17 113.62 107.41 1bjb n SER 8 Ca 0.00 0.25 -0.21 0.00 -1.33 0.00 0.00 58.87 57.58 1bjb n SER 8 Cb 0.57 -3.47 0.01 0.00 -0.75 0.00 0.00 64.21 60.58 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 -0.55 -0.51 3.85 0.46 0.00 -0.14 -4.93 105.19 103.37 1bjb n GLY 9 Ca -0.15 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1bjb n GLY 9 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bjb s TYR 10 N -3.01 3.46 -0.04 1.61 1.13 -0.32 -5.08 117.35 115.09 1bjb s TYR 10 Ca 0.26 1.13 -0.01 0.00 -1.41 0.00 0.00 57.07 57.04 1bjb s TYR 10 Cb -0.13 -2.45 0.03 0.00 -1.10 0.00 0.00 41.96 38.32 1bjb s TYR 10 CO 0.32 0.22 0.08 -1.21 -2.51 0.00 0.00 175.55 172.46 1bjb s GLU 11 N -2.66 0.01 0.17 -3.49 8.01 -1.26 -5.03 118.70 114.44 1bjb s GLU 11 Ca 0.49 0.29 0.00 0.00 0.01 0.00 0.00 54.97 55.76 1bjb s GLU 11 Cb -0.12 -0.24 0.00 0.00 -4.31 0.00 0.00 34.13 29.46 1bjb s GLU 11 CO 0.19 -0.19 0.00 0.28 0.01 0.00 0.00 175.26 175.55 1bjb n VAL 12 N 4.33 0.42 0.00 2.63 0.31 -1.26 -5.02 118.33 119.74 1bjb n VAL 12 Ca -0.25 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1bjb n VAL 12 Cb 0.51 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 -3.28 0.00 0.00 3.52 8.25 -1.26 -4.85 115.22 117.60 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 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.36 0.00 0.19 4.41 8.25 -1.26 -3.06 115.22 122.39 1bjb n HIS 14 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 1bjb n HIS 14 Cb 0.00 0.00 0.78 0.00 1.12 0.00 0.00 29.99 31.89 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 -0.69 -0.41 7.50 -1.99 -0.43 115.11 119.09 1bjb h GLN 15 Ca 0.00 0.00 0.14 0.00 0.50 0.00 0.00 58.65 59.29 1bjb h GLN 15 Cb 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.43 1bjb h GLN 15 CO 0.00 0.00 0.16 1.49 -1.50 0.00 0.00 178.83 178.98 1bjb h GLU 16 N 0.00 0.26 0.00 1.46 4.81 -1.91 0.26 114.58 119.45 1bjb h GLU 16 Ca 0.09 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1bjb h GLU 16 Cb 0.44 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1bjb h GLU 16 CO -0.00 0.17 -0.31 1.37 -0.73 0.00 0.00 179.01 179.51 1bjb h LEU 17 N 0.26 0.00 -0.98 1.64 8.10 -1.00 -2.92 115.31 120.42 1bjb h LEU 17 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.37 1bjb h LEU 17 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.85 1bjb h LEU 17 CO -0.48 0.31 0.00 0.58 -4.11 0.00 0.00 178.44 174.74 1bjb h VAL 18 N 0.00 0.00 0.00 0.15 2.07 -0.40 0.51 116.25 118.59 1bjb h VAL 18 Ca -0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1bjb h VAL 18 Cb 1.17 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1bjb h VAL 18 CO 0.04 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.37 1bjb h PHE 19 N 0.00 0.00 0.01 1.57 0.04 -0.94 0.34 116.94 117.95 1bjb h PHE 19 Ca 0.00 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.38 1bjb h PHE 19 Cb 0.47 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.56 1bjb h PHE 19 CO 0.00 0.00 -2.19 0.34 -0.60 0.00 0.00 178.31 175.86 1bjb n PHE 20 N -2.39 0.33 0.25 -0.55 7.35 -0.34 -3.99 117.46 118.12 1bjb n PHE 20 Ca 0.04 0.13 0.15 0.00 -0.76 0.00 0.00 57.45 57.00 1bjb n PHE 20 Cb 0.36 -1.03 0.74 0.00 0.35 0.00 0.00 39.48 39.91 1bjb n PHE 20 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bjb h ALA 21 N -0.72 1.00 -0.25 3.13 0.00 -0.87 -0.01 119.26 121.54 1bjb h ALA 21 Ca -0.59 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 1bjb h ALA 21 Cb 1.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1bjb h ALA 21 CO -0.31 0.00 -0.01 1.49 0.00 0.00 0.00 179.25 180.41 1bjb h GLU 22 N 0.00 0.44 -0.13 0.00 4.22 -0.45 0.57 114.58 119.24 1bjb h GLU 22 Ca 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 59.36 59.28 1bjb h GLU 22 Cb 0.10 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1bjb h GLU 22 CO 0.00 0.63 0.01 -0.44 -2.18 0.00 0.00 179.01 177.03 1bjb h ASP 23 N 0.21 0.21 -0.01 1.04 3.32 -1.18 -2.18 116.42 117.83 1bjb h ASP 23 Ca 0.07 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1bjb h ASP 23 Cb 0.43 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1bjb h ASP 23 CO 0.01 0.43 0.04 0.58 -1.72 0.00 0.00 179.24 178.59 1bjb h VAL 24 N -0.02 0.16 -4.09 -1.35 2.07 -1.27 -3.46 116.25 108.29 1bjb h VAL 24 Ca 0.04 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.36 1bjb h VAL 24 Cb 0.32 0.96 0.10 0.00 -1.52 0.00 0.00 31.29 31.14 1bjb h VAL 24 CO 0.00 0.00 -0.44 0.61 0.02 0.00 0.00 177.57 177.76 1bjb n GLY 25 N -1.17 -0.01 2.26 2.17 0.00 0.07 -3.05 105.19 105.45 1bjb n GLY 25 Ca -0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1bjb n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bjb n SER 26 N -2.04 -2.58 -3.44 1.61 3.41 -0.46 -2.07 113.62 108.06 1bjb n SER 26 Ca -0.14 0.29 -0.20 0.00 -0.26 0.00 0.00 58.87 58.56 1bjb n SER 26 Cb 0.59 -2.32 0.04 0.00 -0.26 0.00 0.00 64.21 62.26 1bjb n SER 26 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bjb n ASN 27 N -1.27 -6.17 0.00 4.04 3.02 -1.17 -5.16 115.26 108.55 1bjb n ASN 27 Ca -0.09 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1bjb n ASN 27 Cb 0.49 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 1bjb n ASN 27 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93