#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba6 n ALA 2 N 0.00 -1.64 -0.78 -1.67 0.00 -1.26 -4.92 120.51 110.24 1ba6 n ALA 2 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1ba6 n ALA 2 Cb 0.00 -2.75 0.04 0.00 0.00 0.00 0.00 19.45 16.74 1ba6 n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ba6 n GLU 3 N -3.12 1.75 -1.99 0.00 4.71 -1.26 -4.96 120.64 115.77 1ba6 n GLU 3 Ca -0.16 -1.49 -0.37 0.00 -0.01 0.00 0.00 57.16 55.14 1ba6 n GLU 3 Cb 0.61 -1.58 0.03 0.00 -1.01 0.00 0.00 31.44 29.49 1ba6 n GLU 3 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 1ba6 s PHE 4 N -1.72 2.42 -0.29 -0.32 -0.12 -1.26 -4.97 117.98 111.72 1ba6 s PHE 4 Ca 0.29 1.49 0.19 0.00 -0.05 0.00 0.00 56.93 58.85 1ba6 s PHE 4 Cb 0.23 -3.55 0.49 0.00 -0.63 0.00 0.00 43.02 39.56 1ba6 s PHE 4 CO 0.00 -2.29 1.07 -2.13 -0.05 0.00 0.00 175.22 171.82 1ba6 n ARG 5 N -1.32 1.80 -0.24 1.99 3.00 -1.26 -4.91 116.66 115.71 1ba6 n ARG 5 Ca 0.12 -3.54 -0.02 0.00 -0.00 0.00 0.00 57.85 54.41 1ba6 n ARG 5 Cb 0.48 -1.59 0.01 0.00 0.00 0.00 0.00 32.46 31.37 1ba6 n ARG 5 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 1ba6 n HIS 6 N -0.43 0.25 -1.81 -0.14 1.44 -1.26 -4.90 115.22 108.36 1ba6 n HIS 6 Ca 0.13 -0.78 -0.42 0.00 -2.01 0.00 0.00 57.72 54.64 1ba6 n HIS 6 Cb 0.81 -0.39 -0.03 0.00 0.12 0.00 0.00 29.99 30.51 1ba6 n HIS 6 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1ba6 s ASP 7 N 1.09 6.50 0.99 4.39 1.47 -1.26 -4.84 116.67 125.01 1ba6 s ASP 7 Ca 0.05 2.63 0.00 0.00 1.18 0.00 0.00 52.55 56.41 1ba6 s ASP 7 Cb 0.04 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 40.06 1ba6 s ASP 7 CO 0.01 -0.96 0.00 -1.20 0.68 0.00 0.00 175.17 173.70 1ba6 n SER 8 N 5.79 -1.40 0.00 2.11 7.64 -1.26 -4.17 113.62 122.33 1ba6 n SER 8 Ca 0.17 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1ba6 n SER 8 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1ba6 n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ba6 n GLY 9 N 1.46 2.73 1.73 0.23 0.00 -1.26 -4.29 105.19 105.78 1ba6 n GLY 9 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1ba6 n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ba6 n TYR 10 N 0.00 1.59 -3.56 1.61 9.36 -1.26 -5.01 117.16 119.89 1ba6 n TYR 10 Ca 0.00 -1.88 -0.07 0.00 3.32 0.00 0.00 57.90 59.27 1ba6 n TYR 10 Cb 0.00 -0.29 -0.02 0.00 -0.63 0.00 0.00 39.34 38.41 1ba6 n TYR 10 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1ba6 s GLU 11 N -3.26 0.80 0.69 2.98 -6.30 -1.26 -5.07 118.70 107.28 1ba6 s GLU 11 Ca 0.43 -0.33 -0.17 0.00 -2.50 0.00 0.00 54.97 52.40 1ba6 s GLU 11 Cb 0.38 0.34 0.01 0.00 0.00 0.00 0.00 34.13 34.87 1ba6 s GLU 11 CO -0.02 -0.35 1.26 0.08 0.02 0.00 0.00 175.26 176.25 1ba6 s VAL 12 N -3.03 2.12 -0.42 3.70 1.01 -1.26 -4.48 120.40 118.04 1ba6 s VAL 12 Ca 0.07 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1ba6 s VAL 12 Cb -0.01 -2.86 0.69 0.00 0.00 0.00 0.00 36.38 34.20 1ba6 s VAL 12 CO -0.06 -0.02 1.90 1.57 0.00 0.00 0.00 175.10 178.48 1ba6 n HIS 13 N -2.29 2.95 -1.72 5.22 -0.00 -1.26 -4.31 115.22 113.80 1ba6 n HIS 13 Ca 0.15 -1.70 -0.38 0.00 0.46 0.00 0.00 57.72 56.25 1ba6 n HIS 13 Cb 0.49 -0.89 0.05 0.00 -0.12 0.00 0.00 29.99 29.52 1ba6 n HIS 13 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1ba6 n HIS 14 N -0.92 3.08 0.19 1.57 -0.00 -1.26 -4.66 115.22 113.22 1ba6 n HIS 14 Ca 0.56 -2.60 0.02 0.00 -0.00 0.00 0.00 57.72 55.70 1ba6 n HIS 14 Cb 1.62 -1.24 0.10 0.00 -0.00 0.00 0.00 29.99 30.46 1ba6 n HIS 14 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1ba6 n GLN 15 N -0.68 0.07 0.10 1.57 3.00 -1.26 -1.85 117.38 118.32 1ba6 n GLN 15 Ca 0.57 0.20 -0.23 0.00 -0.01 0.00 0.00 57.00 57.53 1ba6 n GLN 15 Cb 0.41 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 29.00 1ba6 n GLN 15 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1ba6 h LYS 16 N 0.00 0.43 -0.94 -1.09 1.57 -1.99 -3.37 116.57 111.19 1ba6 h LYS 16 Ca 0.00 -0.74 0.19 0.00 -1.87 0.00 0.00 60.65 58.23 1ba6 h LYS 16 Cb 0.03 0.28 -0.18 0.00 0.08 0.00 0.00 32.23 32.44 1ba6 h LYS 16 CO 0.00 1.35 -0.22 1.25 -0.57 0.00 0.00 179.45 181.26 1ba6 h LEU 17 N -0.07 -0.85 0.18 2.94 5.85 -1.77 -0.16 115.31 121.44 1ba6 h LEU 17 Ca -0.23 0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ba6 h LEU 17 Cb 1.96 0.57 -0.04 0.00 0.37 0.00 0.00 40.66 43.52 1ba6 h LEU 17 CO 0.22 -0.31 -0.49 -0.37 -0.34 0.00 0.00 178.44 177.15 1ba6 h VAL 18 N 0.00 0.00 -0.51 1.05 -1.51 -1.76 -2.69 116.25 110.83 1ba6 h VAL 18 Ca 0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.93 1ba6 h VAL 18 Cb 0.71 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.84 1ba6 h VAL 18 CO -0.96 0.00 0.33 -0.26 -1.23 0.00 0.00 177.57 175.45 1ba6 h PHE 19 N -0.74 0.64 0.00 5.19 0.04 -1.59 -1.29 116.94 119.20 1ba6 h PHE 19 Ca -0.02 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ba6 h PHE 19 Cb 0.72 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1ba6 h PHE 19 CO -0.41 0.41 0.23 0.34 -0.60 0.00 0.00 178.31 178.28 1ba6 n PHE 20 N -4.72 0.00 0.01 -0.55 7.35 -0.14 -0.36 117.46 119.04 1ba6 n PHE 20 Ca 0.03 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.70 1ba6 n PHE 20 Cb 0.03 -0.21 -0.01 0.00 0.35 0.00 0.00 39.48 39.64 1ba6 n PHE 20 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ba6 n ALA 21 N -1.18 2.83 -0.30 3.13 0.00 -0.87 -4.56 120.51 119.57 1ba6 n ALA 21 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.44 1ba6 n ALA 21 Cb 0.23 0.38 0.31 0.00 0.00 0.00 0.00 19.45 20.37 1ba6 n ALA 21 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ba6 h GLU 22 N -0.09 0.82 -0.35 0.00 5.08 -0.31 -1.86 114.58 117.88 1ba6 h GLU 22 Ca -0.04 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 1ba6 h GLU 22 Cb 0.71 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1ba6 h GLU 22 CO -0.02 0.54 -0.34 0.38 -1.00 0.00 0.00 179.01 178.57 1ba6 h ASP 23 N 0.85 0.82 -0.21 1.42 2.03 -0.95 0.85 116.42 121.21 1ba6 h ASP 23 Ca 0.45 -0.35 -0.01 0.00 -0.73 0.00 0.00 57.03 56.40 1ba6 h ASP 23 Cb 0.54 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.81 1ba6 h ASP 23 CO -0.21 1.08 0.11 -0.37 -1.03 0.00 0.00 179.24 178.82 1ba6 h VAL 24 N 0.65 1.12 -0.34 4.15 -1.51 -1.55 0.13 116.25 118.90 1ba6 h VAL 24 Ca 0.07 -0.34 0.01 0.00 -1.23 0.00 0.00 66.70 65.21 1ba6 h VAL 24 Cb 0.88 0.95 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 1ba6 h VAL 24 CO 0.08 0.12 0.22 1.23 -1.23 0.00 0.00 177.57 177.99 1ba6 h GLY 25 N 0.23 0.48 -3.64 5.19 0.00 -1.17 -2.04 103.07 102.12 1ba6 h GLY 25 Ca 0.07 -0.17 -0.42 0.00 0.00 0.00 0.00 47.33 46.81 1ba6 h GLY 25 CO -0.01 0.16 0.54 -1.26 0.00 0.00 0.00 176.54 175.97 1ba6 n SER 26 N -4.86 6.80 -4.46 0.19 2.88 0.28 -4.99 113.62 109.46 1ba6 n SER 26 Ca -0.00 -3.26 -0.38 0.00 -1.33 0.00 0.00 58.87 53.90 1ba6 n SER 26 Cb 0.03 -1.04 0.04 0.00 -0.75 0.00 0.00 64.21 62.49 1ba6 n SER 26 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ba6 n ASN 27 N 0.03 -1.18 -2.53 -3.46 0.23 0.39 -4.87 115.26 103.88 1ba6 n ASN 27 Ca 0.39 0.73 -0.03 0.00 -0.53 0.00 0.00 54.58 55.14 1ba6 n ASN 27 Cb 0.60 -1.16 0.10 0.00 -2.08 0.00 0.00 39.78 37.24 1ba6 n ASN 27 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1ba6 n LYS 28 N 0.02 1.07 -1.52 -3.83 2.85 -1.26 -4.94 118.16 110.55 1ba6 n LYS 28 Ca 0.11 -1.17 -0.15 0.00 -1.05 0.00 0.00 58.31 56.06 1ba6 n LYS 28 Cb 0.47 0.23 -0.06 0.00 -0.65 0.00 0.00 35.03 35.03 1ba6 n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ba6 n GLY 29 N -1.06 1.29 2.23 2.58 0.00 -1.26 -1.50 105.19 107.48 1ba6 n GLY 29 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 1ba6 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba6 n ALA 30 N 0.50 -0.27 0.12 4.61 0.00 -1.26 -4.81 120.51 119.39 1ba6 n ALA 30 Ca -0.15 0.25 0.18 0.00 0.00 0.00 0.00 53.44 53.72 1ba6 n ALA 30 Cb 0.51 -1.64 0.76 0.00 0.00 0.00 0.00 19.45 19.08 1ba6 n ALA 30 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ba6 h ILE 31 N 0.00 0.53 -0.98 0.00 2.04 -1.69 -1.46 117.51 115.96 1ba6 h ILE 31 Ca -0.33 0.00 0.28 0.00 1.00 0.00 0.00 64.86 65.81 1ba6 h ILE 31 Cb 1.06 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1ba6 h ILE 31 CO 0.48 0.00 0.70 -0.29 0.00 0.00 0.00 178.15 179.03 1ba6 h ILE 32 N 0.00 0.52 0.00 -0.67 2.10 -1.87 -2.29 117.51 115.30 1ba6 h ILE 32 Ca 0.16 -0.01 -0.21 0.00 1.08 0.00 0.00 64.86 65.88 1ba6 h ILE 32 Cb 0.77 0.48 -0.04 0.00 -1.09 0.00 0.00 36.82 36.95 1ba6 h ILE 32 CO -0.00 0.01 -1.79 0.61 -1.08 0.00 0.00 178.15 175.90 1ba6 n GLY 33 N -1.71 -0.20 3.49 8.18 0.00 -0.66 -5.15 105.19 109.13 1ba6 n GLY 33 Ca 0.21 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1ba6 n GLY 33 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ba6 n LEU 34 N -2.89 -4.01 0.00 0.99 0.00 -0.64 -5.14 117.00 105.32 1ba6 n LEU 34 Ca -0.24 -0.71 0.00 0.00 0.00 0.00 0.00 56.01 55.05 1ba6 n LEU 34 Cb 0.76 -2.98 0.00 0.00 0.00 0.00 0.00 43.42 41.21 1ba6 n LEU 34 CO 0.14 0.34 0.00 0.55 0.00 0.00 0.00 177.39 178.42 1ba6 n VAL 36 N -4.01 0.00 0.00 1.96 3.14 -1.26 -4.98 118.33 113.18 1ba6 n VAL 36 Ca -0.24 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 1ba6 n VAL 36 Cb 0.66 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.44 1ba6 n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ba6 n GLY 37 N 0.00 0.78 2.65 7.55 0.00 -1.26 -5.04 105.19 109.87 1ba6 n GLY 37 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1ba6 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba6 n GLY 38 N 0.00 -0.00 2.12 -0.02 0.00 -1.26 -4.99 105.19 101.04 1ba6 n GLY 38 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1ba6 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ba6 n VAL 39 N -0.55 3.11 -0.42 1.61 0.31 -1.26 -5.12 118.33 116.01 1ba6 n VAL 39 Ca -0.19 -2.04 0.00 0.00 -0.01 0.00 0.00 64.34 62.10 1ba6 n VAL 39 Cb 0.72 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 1ba6 n VAL 39 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03