#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba4 n ALA 2 N 0.00 -0.57 -1.89 2.12 0.00 -1.26 -4.83 120.51 114.08 1ba4 n ALA 2 Ca 0.00 0.12 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 1ba4 n ALA 2 Cb 0.00 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.13 1ba4 n ALA 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ba4 n GLU 3 N -2.42 2.84 -3.63 0.00 0.28 -1.26 -4.26 120.64 112.20 1ba4 n GLU 3 Ca -0.13 -3.62 -0.27 0.00 -0.16 0.00 0.00 57.16 52.98 1ba4 n GLU 3 Cb 0.52 -2.27 -0.10 0.00 1.43 0.00 0.00 31.44 31.02 1ba4 n GLU 3 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1ba4 n PHE 4 N -0.60 2.89 -3.26 -1.84 3.72 -1.26 -4.89 117.46 112.21 1ba4 n PHE 4 Ca 0.53 -4.13 -0.12 0.00 -0.05 0.00 0.00 57.45 53.68 1ba4 n PHE 4 Cb 0.37 -0.52 0.01 0.00 -0.94 0.00 0.00 39.48 38.40 1ba4 n PHE 4 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ba4 n ARG 5 N 1.54 -1.63 -3.56 -1.08 5.12 -1.26 -3.12 116.66 112.67 1ba4 n ARG 5 Ca 0.25 1.41 -0.29 0.00 -1.93 0.00 0.00 57.85 57.29 1ba4 n ARG 5 Cb 0.40 -4.46 -0.05 0.00 -1.16 0.00 0.00 32.46 27.18 1ba4 n ARG 5 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 1ba4 n HIS 6 N -1.58 -0.87 -0.83 -1.55 1.44 -1.26 -4.89 115.22 105.69 1ba4 n HIS 6 Ca -0.07 0.46 -0.30 0.00 -2.01 0.00 0.00 57.72 55.80 1ba4 n HIS 6 Cb 0.56 -1.29 0.18 0.00 0.12 0.00 0.00 29.99 29.57 1ba4 n HIS 6 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1ba4 s ASP 7 N -2.53 2.57 0.37 4.39 1.47 -1.18 -4.85 116.67 116.91 1ba4 s ASP 7 Ca 0.56 1.76 0.00 0.00 1.18 0.00 0.00 52.55 56.05 1ba4 s ASP 7 Cb -0.33 -2.37 0.00 0.00 -0.34 0.00 0.00 42.92 39.88 1ba4 s ASP 7 CO 0.69 -3.25 0.00 -1.54 0.68 0.00 0.00 175.17 171.75 1ba4 n SER 8 N -4.30 -1.11 0.00 2.11 3.41 -1.26 -4.97 113.62 107.49 1ba4 n SER 8 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1ba4 n SER 8 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1ba4 n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ba4 n GLY 9 N 0.00 -1.72 1.55 5.00 0.00 -1.26 -5.16 105.19 103.60 1ba4 n GLY 9 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1ba4 n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ba4 n TYR 10 N 0.00 -4.30 -2.50 1.61 9.36 -1.26 -4.82 117.16 115.26 1ba4 n TYR 10 Ca 0.00 2.29 -0.43 0.00 3.32 0.00 0.00 57.90 63.08 1ba4 n TYR 10 Cb 0.00 -3.47 -0.02 0.00 -0.63 0.00 0.00 39.34 35.22 1ba4 n TYR 10 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1ba4 s GLU 11 N -3.87 3.86 0.48 2.98 2.02 -1.26 -5.01 118.70 117.90 1ba4 s GLU 11 Ca 0.00 1.01 0.06 0.00 0.02 0.00 0.00 54.97 56.06 1ba4 s GLU 11 Cb 0.00 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.36 1ba4 s GLU 11 CO 0.00 -1.19 0.33 0.14 0.02 0.00 0.00 175.26 174.56 1ba4 s VAL 12 N 4.37 2.02 0.00 2.63 -7.23 -1.26 -5.09 120.40 115.85 1ba4 s VAL 12 Ca 0.53 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 1ba4 s VAL 12 Cb -0.13 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1ba4 s VAL 12 CO 0.25 0.00 0.20 1.41 -0.31 0.00 0.00 175.10 176.65 1ba4 n HIS 13 N -1.56 0.00 -1.69 2.82 8.25 -1.26 -4.81 115.22 116.96 1ba4 n HIS 13 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1ba4 n HIS 13 Cb 0.64 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1ba4 n HIS 13 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ba4 n HIS 14 N -1.47 0.00 -0.25 4.41 -0.00 -1.26 -4.92 115.22 111.73 1ba4 n HIS 14 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 1ba4 n HIS 14 Cb 0.00 0.07 0.17 0.00 -0.00 0.00 0.00 29.99 30.23 1ba4 n HIS 14 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1ba4 h GLN 15 N 0.00 0.48 0.07 -0.41 7.50 -1.99 -0.65 115.11 120.11 1ba4 h GLN 15 Ca 0.00 -0.03 0.02 0.00 0.50 0.00 0.00 58.65 59.15 1ba4 h GLN 15 Cb 1.11 -0.11 -0.04 0.00 0.05 0.00 0.00 27.48 28.48 1ba4 h GLN 15 CO 0.00 0.32 -0.34 0.87 -1.50 0.00 0.00 178.83 178.18 1ba4 h LYS 16 N 0.50 -0.51 -0.58 1.46 1.79 -1.94 -1.63 116.57 115.65 1ba4 h LYS 16 Ca 0.39 0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.83 1ba4 h LYS 16 Cb 0.53 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 1ba4 h LYS 16 CO -0.35 -0.34 0.09 1.37 -1.08 0.00 0.00 179.45 179.13 1ba4 h LEU 17 N -0.53 0.88 -0.21 2.94 8.10 -1.82 -2.41 115.31 122.26 1ba4 h LEU 17 Ca 0.04 -0.19 0.06 0.00 0.11 0.00 0.00 57.88 57.90 1ba4 h LEU 17 Cb 0.59 -0.23 -0.06 0.00 -0.44 0.00 0.00 40.66 40.51 1ba4 h LEU 17 CO -0.23 0.89 -0.21 0.58 -4.11 0.00 0.00 178.44 175.36 1ba4 h VAL 18 N 0.88 0.46 -0.23 0.15 2.07 -0.55 0.13 116.25 119.15 1ba4 h VAL 18 Ca 0.18 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.73 1ba4 h VAL 18 Cb 0.39 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1ba4 h VAL 18 CO 0.01 0.00 0.05 -0.26 0.02 0.00 0.00 177.57 177.39 1ba4 h PHE 19 N -0.23 0.08 -0.06 1.57 0.04 -1.13 -1.66 116.94 115.55 1ba4 h PHE 19 Ca 0.13 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.95 1ba4 h PHE 19 Cb 0.42 -0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.51 1ba4 h PHE 19 CO -0.35 0.03 -0.32 0.35 -0.60 0.00 0.00 178.31 177.41 1ba4 h PHE 20 N 0.14 -0.88 -0.56 -0.55 3.57 -0.85 -1.70 116.94 116.12 1ba4 h PHE 20 Ca 0.10 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.74 1ba4 h PHE 20 Cb 0.10 0.40 -0.08 0.00 2.79 0.00 0.00 35.95 39.16 1ba4 h PHE 20 CO -0.15 -0.41 0.10 0.00 -2.23 0.00 0.00 178.31 175.62 1ba4 h ALA 21 N 0.33 0.63 -0.21 2.41 0.00 -0.40 -0.55 119.26 121.46 1ba4 h ALA 21 Ca 0.08 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1ba4 h ALA 21 Cb 0.55 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1ba4 h ALA 21 CO -0.31 -0.32 -0.07 1.49 0.00 0.00 0.00 179.25 180.04 1ba4 h GLU 22 N 0.23 -0.03 -0.18 0.00 4.22 -0.71 0.62 114.58 118.73 1ba4 h GLU 22 Ca 0.29 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.78 1ba4 h GLU 22 Cb 0.42 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1ba4 h GLU 22 CO -0.39 -0.02 -0.19 0.22 -2.18 0.00 0.00 179.01 176.45 1ba4 h ASP 23 N -0.03 -0.59 -0.46 1.04 1.82 -0.39 -2.34 116.42 115.46 1ba4 h ASP 23 Ca 0.11 0.11 0.09 0.00 -0.39 0.00 0.00 57.03 56.95 1ba4 h ASP 23 Cb 0.20 0.28 -0.08 0.00 0.68 0.00 0.00 39.33 40.41 1ba4 h ASP 23 CO -0.24 -0.23 -0.05 0.58 -1.61 0.00 0.00 179.24 177.69 1ba4 h VAL 24 N -0.21 0.60 -0.92 2.25 2.07 -0.52 -0.87 116.25 118.65 1ba4 h VAL 24 Ca 0.11 -0.02 0.26 0.00 0.82 0.00 0.00 66.70 67.87 1ba4 h VAL 24 Cb 0.38 0.53 -0.16 0.00 -1.52 0.00 0.00 31.29 30.52 1ba4 h VAL 24 CO -0.30 0.01 0.12 1.23 0.02 0.00 0.00 177.57 178.65 1ba4 h GLY 25 N 0.06 1.29 0.00 2.17 0.00 -0.32 0.53 103.07 106.79 1ba4 h GLY 25 Ca 0.23 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 1ba4 h GLY 25 CO -0.42 -0.46 -0.29 0.23 0.00 0.00 0.00 176.54 175.60 1ba4 h SER 26 N 0.08 0.00 -0.54 0.19 0.87 -1.40 -3.39 113.55 109.36 1ba4 h SER 26 Ca 0.57 -0.82 0.11 0.00 -1.23 0.00 0.00 61.79 60.42 1ba4 h SER 26 Cb 1.19 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.05 1ba4 h SER 26 CO -0.79 1.08 -0.03 0.78 -0.53 0.00 0.00 176.83 177.34 1ba4 h ASN 27 N -1.00 -0.30 -1.00 6.23 4.21 -0.50 -2.01 115.58 121.21 1ba4 h ASN 27 Ca -0.08 0.14 0.24 0.00 1.21 0.00 0.00 56.30 57.81 1ba4 h ASN 27 Cb 1.01 0.26 -0.08 0.00 -1.12 0.00 0.00 38.32 38.39 1ba4 h ASN 27 CO -0.05 -0.11 0.65 0.07 -1.29 0.00 0.00 177.43 176.70 1ba4 h LYS 28 N 0.09 0.40 0.52 0.81 2.10 -1.11 -0.42 116.57 118.96 1ba4 h LYS 28 Ca 0.27 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.88 1ba4 h LYS 28 Cb 0.43 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1ba4 h LYS 28 CO -0.48 0.26 -0.37 0.78 -2.00 0.00 0.00 179.45 177.64 1ba4 h GLY 29 N 0.41 -0.96 1.00 0.07 0.00 -1.56 0.15 103.07 102.18 1ba4 h GLY 29 Ca 0.55 0.42 -0.00 0.00 0.00 0.00 0.00 47.33 48.30 1ba4 h GLY 29 CO -0.25 -0.34 0.35 0.00 0.00 0.00 0.00 176.54 176.30 1ba4 h ALA 30 N -0.51 0.72 -0.33 3.60 0.00 -1.34 -2.60 119.26 118.79 1ba4 h ALA 30 Ca -0.06 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1ba4 h ALA 30 Cb 0.73 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1ba4 h ALA 30 CO 0.03 0.19 -0.05 0.82 0.00 0.00 0.00 179.25 180.23 1ba4 h ILE 31 N 0.77 0.69 -0.45 0.00 2.04 -0.88 -0.65 117.51 119.04 1ba4 h ILE 31 Ca 0.21 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.08 1ba4 h ILE 31 Cb -0.04 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1ba4 h ILE 31 CO -0.04 0.01 0.26 0.40 0.00 0.00 0.00 178.15 178.77 1ba4 h ILE 32 N 0.03 1.03 0.02 -0.67 2.04 -0.74 -0.00 117.51 119.22 1ba4 h ILE 32 Ca 0.16 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1ba4 h ILE 32 Cb 0.24 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1ba4 h ILE 32 CO -0.32 0.09 -0.24 1.23 0.00 0.00 0.00 178.15 178.92 1ba4 h GLY 33 N 0.52 -0.36 1.37 5.37 0.00 -0.90 -0.03 103.07 109.03 1ba4 h GLY 33 Ca 0.18 0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.72 1ba4 h GLY 33 CO -0.09 -0.20 -0.03 0.17 0.00 0.00 0.00 176.54 176.39 1ba4 h LEU 34 N -0.38 0.74 -0.39 3.11 8.10 -0.91 -0.36 115.31 125.22 1ba4 h LEU 34 Ca 0.06 -0.18 -0.00 0.00 0.11 0.00 0.00 57.88 57.86 1ba4 h LEU 34 Cb 0.45 -0.20 -0.02 0.00 -0.44 0.00 0.00 40.66 40.46 1ba4 h LEU 34 CO -0.20 0.82 0.23 -0.03 -4.11 0.00 0.00 178.44 175.15 1ba4 h MET 35 N 0.71 0.53 0.21 0.17 4.05 -0.56 -2.88 114.93 117.15 1ba4 h MET 35 Ca 0.14 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.52 1ba4 h MET 35 Cb 0.47 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1ba4 h MET 35 CO 0.02 0.39 -0.25 0.28 0.23 0.00 0.00 176.91 177.59 1ba4 h VAL 36 N 0.51 0.46 0.00 -5.77 2.07 -0.80 -3.45 116.25 109.28 1ba4 h VAL 36 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1ba4 h VAL 36 Cb -0.00 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1ba4 h VAL 36 CO -0.03 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.17 1ba4 n GLY 37 N -1.37 0.02 3.62 2.17 0.00 -0.84 -4.99 105.19 103.81 1ba4 n GLY 37 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ba4 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba4 n GLY 38 N 0.00 0.73 1.75 -0.02 0.00 -0.20 -4.81 105.19 102.63 1ba4 n GLY 38 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1ba4 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ba4 n VAL 39 N -2.00 2.38 0.88 1.61 0.31 -1.26 -4.93 118.33 115.32 1ba4 n VAL 39 Ca 0.00 -1.23 0.07 0.00 -0.01 0.00 0.00 64.34 63.17 1ba4 n VAL 39 Cb 0.00 -0.80 0.42 0.00 -0.91 0.00 0.00 33.84 32.54 1ba4 n VAL 39 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03