#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 6.87 -3.31 -1.67 0.00 -1.26 -4.68 120.51 116.45 1ba6 n ALA 2 Ca 0.00 -4.01 -0.23 0.00 0.00 0.00 0.00 53.44 49.20 1ba6 n ALA 2 Cb 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 16.65 1ba6 n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ba6 n GLU 3 N 1.84 -3.61 -0.37 0.00 2.13 -1.26 -4.92 120.64 114.45 1ba6 n GLU 3 Ca 0.63 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.99 1ba6 n GLU 3 Cb 0.25 -5.27 0.00 0.00 0.27 0.00 0.00 31.44 26.70 1ba6 n GLU 3 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1ba6 n PHE 4 N -4.02 0.00 -2.88 4.31 3.01 -1.26 -5.04 117.46 111.58 1ba6 n PHE 4 Ca -0.03 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.41 1ba6 n PHE 4 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 1ba6 n PHE 4 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1ba6 n ARG 5 N 0.00 -2.55 -0.71 -1.08 0.63 -1.26 -4.85 116.66 106.85 1ba6 n ARG 5 Ca 0.00 2.19 -0.11 0.00 -0.92 0.00 0.00 57.85 59.01 1ba6 n ARG 5 Cb 0.00 -4.19 0.03 0.00 0.45 0.00 0.00 32.46 28.74 1ba6 n ARG 5 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1ba6 n HIS 6 N 0.73 1.01 -1.67 -0.14 1.44 -1.26 -4.95 115.22 110.38 1ba6 n HIS 6 Ca 0.01 -1.54 -0.47 0.00 -2.01 0.00 0.00 57.72 53.71 1ba6 n HIS 6 Cb 0.19 -0.75 -0.04 0.00 0.12 0.00 0.00 29.99 29.51 1ba6 n HIS 6 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1ba6 n ASP 7 N 0.63 3.10 -3.63 4.39 -0.08 -1.26 -4.97 116.55 114.73 1ba6 n ASP 7 Ca 0.20 1.07 -0.08 0.00 -1.51 0.00 0.00 54.79 54.47 1ba6 n ASP 7 Cb 0.60 -1.41 -0.06 0.00 2.34 0.00 0.00 41.12 42.58 1ba6 n ASP 7 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1ba6 s SER 8 N 1.36 -0.33 0.00 1.67 1.04 -1.26 -5.16 113.70 111.02 1ba6 s SER 8 Ca 0.81 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.80 1ba6 s SER 8 Cb -0.69 0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1ba6 s SER 8 CO 0.40 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.07 1ba6 n GLY 9 N 1.63 -1.78 0.06 7.32 0.00 -1.26 -4.98 105.19 106.19 1ba6 n GLY 9 Ca -0.11 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.63 -0.02 -1.69 1.61 9.36 -1.26 -5.09 117.16 118.45 1ba6 n TYR 10 Ca 0.00 0.00 -0.44 0.00 3.32 0.00 0.00 57.90 60.78 1ba6 n TYR 10 Cb 0.00 0.02 -0.04 0.00 -0.63 0.00 0.00 39.34 38.69 1ba6 n TYR 10 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1ba6 n GLU 11 N -1.53 2.55 0.00 2.98 -0.58 -1.26 -4.76 120.64 118.04 1ba6 n GLU 11 Ca 0.00 0.93 0.00 0.00 -0.42 0.00 0.00 57.16 57.67 1ba6 n GLU 11 Cb 0.00 -2.78 0.00 0.00 -0.57 0.00 0.00 31.44 28.09 1ba6 n GLU 11 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1ba6 n VAL 12 N 4.37 0.00 -2.03 2.62 3.14 -1.26 -3.71 118.33 121.46 1ba6 n VAL 12 Ca 0.18 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.30 1ba6 n VAL 12 Cb 0.34 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.14 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 0.00 2.93 -1.10 1.45 -0.00 -1.26 -4.93 115.22 112.31 1ba6 n HIS 13 Ca 0.00 -2.48 -0.33 0.00 0.46 0.00 0.00 57.72 55.37 1ba6 n HIS 13 Cb 0.00 -0.43 -0.03 0.00 -0.12 0.00 0.00 29.99 29.41 1ba6 n HIS 13 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1ba6 n HIS 14 N -0.68 2.04 0.00 1.57 1.44 -1.24 -3.47 115.22 114.87 1ba6 n HIS 14 Ca 0.45 -2.36 0.00 0.00 -2.01 0.00 0.00 57.72 53.81 1ba6 n HIS 14 Cb 0.86 -2.01 0.00 0.00 0.12 0.00 0.00 29.99 28.96 1ba6 n HIS 14 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1ba6 n GLN 15 N 4.89 0.00 0.07 -1.40 7.27 -1.26 -4.95 117.38 122.00 1ba6 n GLN 15 Ca 0.55 0.00 0.21 0.00 0.07 0.00 0.00 57.00 57.83 1ba6 n GLN 15 Cb 0.25 0.00 0.74 0.00 2.41 0.00 0.00 30.24 33.63 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 -1.43 3.69 1.79 -1.98 -2.64 116.57 116.01 1ba6 h LYS 16 Ca 0.00 0.00 0.42 0.00 -2.18 0.00 0.00 60.65 58.89 1ba6 h LYS 16 Cb 0.00 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.57 1ba6 h LYS 16 CO 0.00 0.00 1.00 1.25 -1.08 0.00 0.00 179.45 180.62 1ba6 h LEU 17 N 0.00 0.11 0.66 2.94 6.46 -1.92 -0.22 115.31 123.33 1ba6 h LEU 17 Ca 0.21 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.98 1ba6 h LEU 17 Cb 1.15 0.03 0.01 0.00 -0.73 0.00 0.00 40.66 41.12 1ba6 h LEU 17 CO -0.00 -0.03 -0.32 -0.37 -0.62 0.00 0.00 178.44 177.10 1ba6 h VAL 18 N 0.07 0.05 -0.87 1.05 -1.51 -1.81 -3.23 116.25 110.00 1ba6 h VAL 18 Ca 0.74 -0.34 0.07 0.00 -1.23 0.00 0.00 66.70 65.93 1ba6 h VAL 18 Cb 2.68 0.07 -0.06 0.00 -2.13 0.00 0.00 31.29 31.86 1ba6 h VAL 18 CO -0.14 0.01 0.57 -0.26 -1.23 0.00 0.00 177.57 176.52 1ba6 h PHE 19 N -1.21 0.98 -1.78 5.19 0.04 -1.40 -0.71 116.94 118.05 1ba6 h PHE 19 Ca -0.09 0.03 0.53 0.00 2.80 0.00 0.00 57.97 61.24 1ba6 h PHE 19 Cb 0.69 -0.32 -0.09 0.00 2.20 0.00 0.00 35.95 38.43 1ba6 h PHE 19 CO 0.00 0.51 1.26 0.34 -0.60 0.00 0.00 178.31 179.82 1ba6 n PHE 20 N -4.49 0.15 0.00 -0.55 7.35 -0.24 -0.26 117.46 119.42 1ba6 n PHE 20 Ca 0.13 0.15 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 1ba6 n PHE 20 Cb 0.22 -0.62 0.00 0.00 0.35 0.00 0.00 39.48 39.43 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 -2.81 2.92 -0.08 3.13 0.00 -1.02 -4.62 120.51 118.04 1ba6 n ALA 21 Ca 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.78 1ba6 n ALA 21 Cb 1.85 0.44 -0.01 0.00 0.00 0.00 0.00 19.45 21.73 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 0.33 -0.74 0.00 5.08 -0.93 -2.60 114.58 115.72 1ba6 h GLU 22 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1ba6 h GLU 22 Cb 0.88 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1ba6 h GLU 22 CO 0.00 0.22 0.33 0.22 -1.00 0.00 0.00 179.01 178.78 1ba6 h ASP 23 N 0.34 0.97 -0.41 1.42 1.82 -0.80 -0.43 116.42 119.33 1ba6 h ASP 23 Ca 0.12 -0.12 0.06 0.00 -0.39 0.00 0.00 57.03 56.70 1ba6 h ASP 23 Cb 0.02 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 39.73 1ba6 h ASP 23 CO -0.07 0.84 0.11 -0.37 -1.61 0.00 0.00 179.24 178.14 1ba6 h VAL 24 N 1.06 0.82 -0.20 2.25 -1.51 -1.48 0.20 116.25 117.39 1ba6 h VAL 24 Ca 0.25 -0.09 0.04 0.00 -1.23 0.00 0.00 66.70 65.67 1ba6 h VAL 24 Cb 0.14 0.55 -0.03 0.00 -2.13 0.00 0.00 31.29 29.81 1ba6 h VAL 24 CO -0.03 0.05 -0.02 1.23 -1.23 0.00 0.00 177.57 177.56 1ba6 h GLY 25 N 0.25 0.17 0.35 5.19 0.00 -1.03 -2.73 103.07 105.26 1ba6 h GLY 25 Ca 0.20 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.63 1ba6 h GLY 25 CO -0.23 -0.06 -0.14 1.76 0.00 0.00 0.00 176.54 177.87 1ba6 h SER 26 N 0.03 -0.45 -3.64 0.19 0.02 0.00 -3.43 113.55 106.27 1ba6 h SER 26 Ca 0.09 0.10 -0.47 0.00 -0.84 0.00 0.00 61.79 60.68 1ba6 h SER 26 Cb 0.13 0.24 0.20 0.00 0.14 0.00 0.00 62.40 63.11 1ba6 h SER 26 CO -0.18 -0.17 0.10 0.20 -1.14 0.00 0.00 176.83 175.64 1ba6 s ASN 27 N -5.12 1.81 -0.33 3.07 0.01 -0.05 -4.99 114.94 109.35 1ba6 s ASN 27 Ca -0.14 1.68 0.11 0.00 -0.71 0.00 0.00 52.86 53.80 1ba6 s ASN 27 Cb 0.12 -2.34 0.46 0.00 0.41 0.00 0.00 41.25 39.90 1ba6 s ASN 27 CO 0.69 -3.71 1.12 2.29 -1.51 0.00 0.00 177.10 175.98 1ba6 n LYS 28 N -4.60 2.88 0.00 -0.60 2.85 -1.26 -4.75 118.16 112.68 1ba6 n LYS 28 Ca 0.06 -4.01 0.00 0.00 -1.05 0.00 0.00 58.31 53.30 1ba6 n LYS 28 Cb 0.54 -2.01 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 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 -0.54 0.06 0.46 2.58 0.00 -1.26 -4.96 105.19 101.52 1ba6 n GLY 29 Ca 0.31 -0.04 0.29 0.00 0.00 0.00 0.00 46.02 46.57 1ba6 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba6 h ALA 30 N 0.00 2.64 0.26 4.61 0.00 -1.85 -0.91 119.26 124.01 1ba6 h ALA 30 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ba6 h ALA 30 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ba6 h ALA 30 CO 0.00 -1.03 -0.14 0.82 0.00 0.00 0.00 179.25 178.89 1ba6 h ILE 31 N 0.20 0.00 -0.72 0.00 5.03 -1.86 -2.42 117.51 117.73 1ba6 h ILE 31 Ca 0.59 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 65.32 1ba6 h ILE 31 Cb 1.89 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 35.64 1ba6 h ILE 31 CO -0.18 0.00 0.42 -0.29 -0.68 0.00 0.00 178.15 177.42 1ba6 h ILE 32 N -0.37 1.21 0.00 -0.67 2.10 -1.85 -1.99 117.51 115.94 1ba6 h ILE 32 Ca -0.04 -0.49 0.00 0.00 1.08 0.00 0.00 64.86 65.42 1ba6 h ILE 32 Cb 0.29 0.21 0.00 0.00 -1.09 0.00 0.00 36.82 36.23 1ba6 h ILE 32 CO 0.05 0.22 0.00 0.61 -1.08 0.00 0.00 178.15 177.95 1ba6 n GLY 33 N -1.26 -0.19 3.40 8.18 0.00 -0.39 -5.07 105.19 109.86 1ba6 n GLY 33 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.69 -0.07 0.00 0.99 1.98 -0.75 -4.98 118.68 115.16 1ba6 s LEU 34 Ca 0.00 0.27 -0.19 0.00 -2.89 0.00 0.00 54.13 51.33 1ba6 s LEU 34 Cb 0.00 2.09 -0.31 0.00 0.66 0.00 0.00 46.19 48.63 1ba6 s LEU 34 CO 0.00 -0.66 0.99 1.62 -1.89 0.00 0.00 176.35 176.41 1ba6 h VAL 36 N 2.97 1.39 0.00 1.68 3.04 -1.96 -3.44 116.25 119.93 1ba6 h VAL 36 Ca -0.30 -2.52 0.00 0.00 -1.01 0.00 0.00 66.70 62.87 1ba6 h VAL 36 Cb 1.19 2.99 0.00 0.00 -2.01 0.00 0.00 31.29 33.47 1ba6 h VAL 36 CO 0.41 0.74 0.00 0.61 -1.01 0.00 0.00 177.57 178.32 1ba6 n GLY 37 N 1.56 0.00 1.34 3.17 0.00 -1.26 -4.96 105.19 105.05 1ba6 n GLY 37 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 0.46 4.19 -0.02 0.00 -1.26 -5.01 105.19 103.56 1ba6 n GLY 38 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.36 -0.51 0.00 1.61 3.14 -1.26 -5.32 118.33 115.62 1ba6 n VAL 39 Ca -0.16 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 1ba6 n VAL 39 Cb 0.62 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 1ba6 n VAL 39 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92