#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba6 s ALA 2 N 0.00 -3.49 -1.33 2.24 0.00 -1.26 -5.05 121.76 112.87 1ba6 s ALA 2 Ca 0.00 1.40 -0.08 0.00 0.00 0.00 0.00 51.96 53.28 1ba6 s ALA 2 Cb 0.00 -2.60 0.12 0.00 0.00 0.00 0.00 23.12 20.65 1ba6 s ALA 2 CO 0.00 -1.69 2.18 -1.91 0.00 0.00 0.00 175.76 174.33 1ba6 n GLU 3 N 5.35 3.97 -1.42 0.00 0.00 -1.26 -4.96 120.64 122.32 1ba6 n GLU 3 Ca -0.00 -3.35 -0.30 0.00 0.00 0.00 0.00 57.16 53.51 1ba6 n GLU 3 Cb 0.55 -2.82 0.23 0.00 0.00 0.00 0.00 31.44 29.40 1ba6 n GLU 3 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 1ba6 s PHE 4 N 0.07 0.69 -0.36 4.31 -0.12 -1.26 -5.04 117.98 116.28 1ba6 s PHE 4 Ca 0.48 0.35 0.05 0.00 -0.05 0.00 0.00 56.93 57.76 1ba6 s PHE 4 Cb 0.14 -3.77 0.24 0.00 -0.63 0.00 0.00 43.02 39.00 1ba6 s PHE 4 CO -0.04 -3.53 1.22 -2.13 -0.05 0.00 0.00 175.22 170.68 1ba6 n ARG 5 N -4.44 0.59 -0.05 1.99 0.63 -1.26 -5.01 116.66 109.10 1ba6 n ARG 5 Ca 0.15 -1.20 -0.01 0.00 -0.92 0.00 0.00 57.85 55.88 1ba6 n ARG 5 Cb 0.60 -0.18 0.01 0.00 0.45 0.00 0.00 32.46 33.33 1ba6 n ARG 5 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1ba6 n HIS 6 N -0.24 0.13 -2.07 -0.14 -0.00 -1.26 -4.91 115.22 106.72 1ba6 n HIS 6 Ca -0.12 -0.37 -0.36 0.00 0.46 0.00 0.00 57.72 57.33 1ba6 n HIS 6 Cb 0.73 -0.22 0.02 0.00 -0.12 0.00 0.00 29.99 30.40 1ba6 n HIS 6 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1ba6 s ASP 7 N 0.56 5.45 -1.50 0.26 1.47 -1.26 -2.68 116.67 118.97 1ba6 s ASP 7 Ca 0.03 2.38 -0.10 0.00 1.18 0.00 0.00 52.55 56.03 1ba6 s ASP 7 Cb 0.02 -2.60 0.07 0.00 -0.34 0.00 0.00 42.92 40.07 1ba6 s ASP 7 CO 0.01 -1.42 0.81 -1.20 0.68 0.00 0.00 175.17 174.05 1ba6 n SER 8 N -1.30 -3.18 0.10 2.11 7.64 0.04 -4.71 113.62 114.32 1ba6 n SER 8 Ca 0.12 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1ba6 n SER 8 Cb 0.49 -3.61 0.00 0.00 -1.01 0.00 0.00 64.21 60.08 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 -1.66 -0.87 0.09 0.23 0.00 -1.21 -4.95 105.19 96.82 1ba6 n GLY 9 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.03 0.00 -3.87 1.61 9.36 -1.09 -5.09 117.16 115.05 1ba6 n TYR 10 Ca 0.00 -0.09 -0.07 0.00 3.32 0.00 0.00 57.90 61.06 1ba6 n TYR 10 Cb 0.00 -0.02 -0.02 0.00 -0.63 0.00 0.00 39.34 38.67 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 -0.20 1.83 1.32 2.98 -6.30 -1.21 -5.04 118.70 112.07 1ba6 s GLU 11 Ca 0.01 -1.07 -0.18 0.00 -2.50 0.00 0.00 54.97 51.23 1ba6 s GLU 11 Cb 0.01 0.60 0.33 0.00 0.00 0.00 0.00 34.13 35.07 1ba6 s GLU 11 CO 0.00 -0.84 0.93 1.55 0.02 0.00 0.00 175.26 176.93 1ba6 n VAL 12 N -0.46 0.00 -2.95 3.70 3.14 -1.26 -0.78 118.33 119.71 1ba6 n VAL 12 Ca -0.04 -0.30 -0.14 0.00 -2.96 0.00 0.00 64.34 60.90 1ba6 n VAL 12 Cb 0.59 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.39 1ba6 n VAL 12 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1ba6 n HIS 13 N -5.38 0.36 -1.73 1.45 -0.00 -1.26 -3.24 115.22 105.42 1ba6 n HIS 13 Ca 0.07 -3.30 -0.42 0.00 0.46 0.00 0.00 57.72 54.52 1ba6 n HIS 13 Cb 0.57 -0.27 -0.02 0.00 -0.12 0.00 0.00 29.99 30.15 1ba6 n HIS 13 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1ba6 n HIS 14 N 0.13 2.71 0.00 1.57 8.25 -1.26 -4.99 115.22 121.63 1ba6 n HIS 14 Ca 0.17 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1ba6 n HIS 14 Cb 0.73 -2.59 0.00 0.00 1.12 0.00 0.00 29.99 29.25 1ba6 n HIS 14 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1ba6 n GLN 15 N 2.56 0.00 0.13 -0.41 7.27 -1.26 -4.51 117.38 121.16 1ba6 n GLN 15 Ca 0.11 0.00 0.19 0.00 0.07 0.00 0.00 57.00 57.37 1ba6 n GLN 15 Cb 0.35 0.00 0.77 0.00 2.41 0.00 0.00 30.24 33.77 1ba6 n GLN 15 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1ba6 h LYS 16 N 0.00 0.00 -0.45 3.69 1.79 -2.03 -1.57 116.57 118.00 1ba6 h LYS 16 Ca 0.00 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.60 1ba6 h LYS 16 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1ba6 h LYS 16 CO 0.00 0.00 0.47 1.25 -1.08 0.00 0.00 179.45 180.09 1ba6 h LEU 17 N 0.00 0.00 0.29 2.94 6.46 -1.98 -1.47 115.31 121.54 1ba6 h LEU 17 Ca 0.16 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1ba6 h LEU 17 Cb 0.91 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.84 1ba6 h LEU 17 CO -0.00 0.00 -0.14 -0.37 -0.62 0.00 0.00 178.44 177.31 1ba6 h VAL 18 N 0.00 0.74 -0.86 1.05 -1.51 -1.51 -3.11 116.25 111.05 1ba6 h VAL 18 Ca 0.21 -0.52 0.03 0.00 -1.23 0.00 0.00 66.70 65.18 1ba6 h VAL 18 Cb 1.16 1.02 -0.05 0.00 -2.13 0.00 0.00 31.29 31.29 1ba6 h VAL 18 CO -0.00 0.11 0.56 -0.26 -1.23 0.00 0.00 177.57 176.74 1ba6 h PHE 19 N -0.68 1.05 0.00 5.19 0.04 -1.50 0.23 116.94 121.27 1ba6 h PHE 19 Ca -0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1ba6 h PHE 19 Cb 0.47 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1ba6 h PHE 19 CO 0.01 0.62 0.65 0.74 -0.60 0.00 0.00 178.31 179.74 1ba6 h PHE 20 N 1.10 0.00 0.00 -0.55 -1.00 -1.31 0.23 116.94 115.41 1ba6 h PHE 20 Ca 0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.11 1ba6 h PHE 20 Cb -0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.52 1ba6 h PHE 20 CO -0.02 0.00 -0.63 0.00 -1.61 0.00 0.00 178.31 176.05 1ba6 n ALA 21 N -1.64 2.05 -0.04 2.45 0.00 -0.94 -4.57 120.51 117.82 1ba6 n ALA 21 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 1ba6 n ALA 21 Cb 0.67 0.31 -0.11 0.00 0.00 0.00 0.00 19.45 20.32 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 0.00 0.03 -0.54 0.00 5.08 -0.71 -2.68 114.58 115.76 1ba6 h GLU 22 Ca 0.00 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1ba6 h GLU 22 Cb 0.63 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1ba6 h GLU 22 CO 0.00 0.78 -0.11 0.22 -1.00 0.00 0.00 179.01 178.90 1ba6 h ASP 23 N -0.71 1.03 -0.67 1.42 1.82 -0.71 0.94 116.42 119.54 1ba6 h ASP 23 Ca -0.00 -0.34 -0.01 0.00 -0.39 0.00 0.00 57.03 56.28 1ba6 h ASP 23 Cb 0.80 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 40.49 1ba6 h ASP 23 CO 0.01 1.13 0.37 -0.37 -1.61 0.00 0.00 179.24 178.77 1ba6 h VAL 24 N 0.91 1.21 -0.36 2.25 -1.51 -1.57 -0.80 116.25 116.38 1ba6 h VAL 24 Ca 0.14 -0.52 -0.02 0.00 -1.23 0.00 0.00 66.70 65.07 1ba6 h VAL 24 Cb 0.68 0.28 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 1ba6 h VAL 24 CO 0.05 0.23 0.16 1.23 -1.23 0.00 0.00 177.57 178.01 1ba6 h GLY 25 N 1.01 0.56 -2.40 5.19 0.00 -1.06 -2.38 103.07 103.98 1ba6 h GLY 25 Ca 0.24 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 1ba6 h GLY 25 CO -0.04 0.27 0.09 1.44 0.00 0.00 0.00 176.54 178.31 1ba6 n SER 26 N -4.71 3.50 -4.48 0.19 7.64 0.27 -4.94 113.62 111.09 1ba6 n SER 26 Ca -0.01 -2.28 -0.29 0.00 1.01 0.00 0.00 58.87 57.30 1ba6 n SER 26 Cb 0.12 -0.63 0.23 0.00 -1.01 0.00 0.00 64.21 62.92 1ba6 n SER 26 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ba6 n ASN 27 N 0.42 -1.47 -3.24 6.43 0.23 -0.85 -1.28 115.26 115.51 1ba6 n ASN 27 Ca 0.08 -0.05 -0.11 0.00 -0.53 0.00 0.00 54.58 53.98 1ba6 n ASN 27 Cb 0.64 -1.27 0.03 0.00 -2.08 0.00 0.00 39.78 37.10 1ba6 n ASN 27 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1ba6 n LYS 28 N -4.46 -1.69 -3.14 -3.83 5.02 -1.26 -2.69 118.16 106.11 1ba6 n LYS 28 Ca 0.04 1.10 -0.16 0.00 -2.02 0.00 0.00 58.31 57.27 1ba6 n LYS 28 Cb 0.54 -5.44 -0.02 0.00 -0.02 0.00 0.00 35.03 30.09 1ba6 n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ba6 n GLY 29 N -1.54 -0.48 2.11 0.72 0.00 -1.26 -1.18 105.19 103.56 1ba6 n GLY 29 Ca -0.05 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.05 -0.27 -0.21 4.61 0.00 -0.40 -4.81 120.51 116.38 1ba6 n ALA 30 Ca 0.00 0.21 0.26 0.00 0.00 0.00 0.00 53.44 53.91 1ba6 n ALA 30 Cb 0.51 -1.47 0.65 0.00 0.00 0.00 0.00 19.45 19.14 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 0.58 -0.87 0.00 1.08 -1.31 -1.63 117.51 115.36 1ba6 h ILE 31 Ca -0.29 -0.05 0.25 0.00 -0.39 0.00 0.00 64.86 64.38 1ba6 h ILE 31 Cb 0.94 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 1ba6 h ILE 31 CO 0.41 0.03 0.82 -0.29 -0.69 0.00 0.00 178.15 178.43 1ba6 h ILE 32 N 0.14 0.26 -0.38 -0.67 2.10 -1.82 -2.83 117.51 114.30 1ba6 h ILE 32 Ca 0.45 0.00 -0.28 0.00 1.08 0.00 0.00 64.86 66.11 1ba6 h ILE 32 Cb 1.55 0.37 -0.22 0.00 -1.09 0.00 0.00 36.82 37.44 1ba6 h ILE 32 CO -0.07 0.00 -0.60 0.61 -1.08 0.00 0.00 178.15 177.00 1ba6 n GLY 33 N -1.65 1.38 3.73 8.18 0.00 -0.63 -5.22 105.19 110.99 1ba6 n GLY 33 Ca 0.18 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1ba6 n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ba6 s LEU 34 N -2.78 4.45 -0.01 0.99 2.96 -1.07 -5.08 118.68 118.13 1ba6 s LEU 34 Ca 0.25 1.66 -0.01 0.00 -0.22 0.00 0.00 54.13 55.80 1ba6 s LEU 34 Cb 0.37 -3.48 -0.01 0.00 0.50 0.00 0.00 46.19 43.57 1ba6 s LEU 34 CO -0.06 -0.09 -0.03 0.55 -1.32 0.00 0.00 176.35 175.40 1ba6 n VAL 36 N 3.06 0.29 0.00 1.68 3.14 -1.26 -5.08 118.33 120.16 1ba6 n VAL 36 Ca 0.02 0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1ba6 n VAL 36 Cb 0.50 -1.55 0.00 0.00 -1.06 0.00 0.00 33.84 31.73 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 2.89 0.49 2.37 7.55 0.00 -1.10 -4.66 105.19 112.74 1ba6 n GLY 37 Ca -0.05 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.49 2.58 -0.02 0.00 -1.26 -3.52 105.19 102.48 1ba6 n GLY 38 Ca 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1ba6 n GLY 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ba6 n VAL 39 N -1.89 -0.20 -1.49 1.61 3.14 -1.26 -5.41 118.33 112.82 1ba6 n VAL 39 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1ba6 n VAL 39 Cb 0.53 -0.58 0.00 0.00 -1.06 0.00 0.00 33.84 32.73 1ba6 n VAL 39 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89