#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 -2.57 -2.37 -1.67 0.00 -1.26 -2.25 120.51 110.39 1ba6 n ALA 2 Ca 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 53.44 53.92 1ba6 n ALA 2 Cb 0.00 -2.73 -0.01 0.00 0.00 0.00 0.00 19.45 16.72 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 -0.35 -2.15 -1.25 0.00 2.13 -1.26 -4.85 120.64 112.91 1ba6 n GLU 3 Ca -0.02 0.62 -0.01 0.00 0.66 0.00 0.00 57.16 58.41 1ba6 n GLU 3 Cb 0.60 -5.20 0.00 0.00 0.27 0.00 0.00 31.44 27.12 1ba6 n GLU 3 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ba6 n PHE 4 N -3.31 -0.99 -2.57 4.31 -0.00 -0.96 -5.07 117.46 108.88 1ba6 n PHE 4 Ca -0.15 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.45 57.17 1ba6 n PHE 4 Cb 0.60 0.05 0.06 0.00 -0.00 0.00 0.00 39.48 40.19 1ba6 n PHE 4 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1ba6 n ARG 5 N -0.03 1.07 -1.41 -4.13 0.63 -1.26 -0.21 116.66 111.32 1ba6 n ARG 5 Ca -0.00 -1.86 -0.25 0.00 -0.92 0.00 0.00 57.85 54.81 1ba6 n ARG 5 Cb 0.03 -0.14 -0.08 0.00 0.45 0.00 0.00 32.46 32.72 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 -0.80 1.34 -2.14 -0.14 -0.00 -1.26 -4.65 115.22 107.58 1ba6 n HIS 6 Ca -0.11 -2.03 -0.29 0.00 0.46 0.00 0.00 57.72 55.75 1ba6 n HIS 6 Cb 0.86 -1.59 -0.05 0.00 -0.12 0.00 0.00 29.99 29.08 1ba6 n HIS 6 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1ba6 s ASP 7 N 0.97 5.37 0.52 0.26 -1.08 -1.26 -4.81 116.67 116.64 1ba6 s ASP 7 Ca 0.61 -0.94 0.00 0.00 -0.52 0.00 0.00 52.55 51.70 1ba6 s ASP 7 Cb 0.32 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 1ba6 s ASP 7 CO -0.13 -2.56 0.00 -0.24 0.52 0.00 0.00 175.17 172.76 1ba6 n SER 8 N 13.14 -7.60 0.12 -0.34 2.88 -1.26 -3.82 113.62 116.74 1ba6 n SER 8 Ca 0.40 1.06 -0.03 0.00 -1.33 0.00 0.00 58.87 58.97 1ba6 n SER 8 Cb 0.47 -2.97 0.14 0.00 -0.75 0.00 0.00 64.21 61.10 1ba6 n SER 8 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1ba6 h GLY 9 N -0.91 0.09 -5.46 0.46 0.00 -2.01 -3.43 103.07 91.81 1ba6 h GLY 9 Ca 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1ba6 h GLY 9 CO 0.01 0.11 -0.23 -0.47 0.00 0.00 0.00 176.54 175.95 1ba6 s TYR 10 N -3.62 -0.96 -0.39 5.60 5.04 -1.26 -5.11 117.35 116.65 1ba6 s TYR 10 Ca -0.02 1.81 -0.01 0.00 -2.44 0.00 0.00 57.07 56.41 1ba6 s TYR 10 Cb 0.12 0.49 0.19 0.00 0.35 0.00 0.00 41.96 43.12 1ba6 s TYR 10 CO 0.78 -0.52 0.90 -2.00 -1.34 0.00 0.00 175.55 173.37 1ba6 s GLU 11 N 2.33 0.52 0.57 4.97 -6.30 -1.25 -5.11 118.70 114.44 1ba6 s GLU 11 Ca -0.06 -0.35 -0.18 0.00 -2.50 0.00 0.00 54.97 51.89 1ba6 s GLU 11 Cb -0.10 0.02 -0.04 0.00 0.00 0.00 0.00 34.13 34.00 1ba6 s GLU 11 CO -0.16 -0.69 1.11 0.54 0.02 0.00 0.00 175.26 176.09 1ba6 s VAL 12 N 1.46 3.27 -1.44 3.70 0.11 -1.26 -3.37 120.40 122.87 1ba6 s VAL 12 Ca 0.20 0.72 -0.16 0.00 -2.93 0.00 0.00 61.98 59.81 1ba6 s VAL 12 Cb 0.03 -3.25 0.16 0.00 -1.53 0.00 0.00 36.38 31.78 1ba6 s VAL 12 CO -0.10 -0.24 0.52 1.57 -3.33 0.00 0.00 175.10 173.53 1ba6 n HIS 13 N -1.63 -1.53 -1.61 1.54 -0.00 -1.26 -4.79 115.22 105.94 1ba6 n HIS 13 Ca 0.11 0.56 -0.44 0.00 -0.00 0.00 0.00 57.72 57.96 1ba6 n HIS 13 Cb 0.51 -2.14 -0.03 0.00 -0.00 0.00 0.00 29.99 28.33 1ba6 n HIS 13 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1ba6 n HIS 14 N -3.85 2.11 0.13 1.57 -0.00 -1.22 -4.33 115.22 109.62 1ba6 n HIS 14 Ca 0.07 -0.17 0.00 0.00 -0.00 0.00 0.00 57.72 57.62 1ba6 n HIS 14 Cb 0.48 -2.73 0.00 0.00 -0.00 0.00 0.00 29.99 27.74 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 8.30 0.00 0.26 -1.40 6.02 -1.26 -4.92 117.38 124.38 1ba6 n GLN 15 Ca 0.28 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.44 1ba6 n GLN 15 Cb 0.42 0.00 0.83 0.00 1.02 0.00 0.00 30.24 32.50 1ba6 n GLN 15 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1ba6 h LYS 16 N 0.00 0.00 -1.15 -1.09 6.56 -1.97 -2.57 116.57 116.35 1ba6 h LYS 16 Ca 0.00 0.00 0.32 0.00 -1.06 0.00 0.00 60.65 59.91 1ba6 h LYS 16 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.59 1ba6 h LYS 16 CO 0.00 0.00 0.79 1.37 -2.06 0.00 0.00 179.45 179.55 1ba6 h LEU 17 N 0.00 0.17 0.70 2.94 8.10 -1.91 -1.15 115.31 124.17 1ba6 h LEU 17 Ca 0.06 0.04 -0.03 0.00 0.11 0.00 0.00 57.88 58.05 1ba6 h LEU 17 Cb 0.71 0.01 0.01 0.00 -0.44 0.00 0.00 40.66 40.95 1ba6 h LEU 17 CO -0.00 0.02 -0.34 -0.37 -4.11 0.00 0.00 178.44 173.64 1ba6 h VAL 18 N 0.14 0.24 -0.70 0.15 -1.51 -1.89 -3.13 116.25 109.56 1ba6 h VAL 18 Ca 0.59 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.91 1ba6 h VAL 18 Cb 2.03 0.28 -0.03 0.00 -2.13 0.00 0.00 31.29 31.44 1ba6 h VAL 18 CO -0.13 0.02 0.45 -0.26 -1.23 0.00 0.00 177.57 176.41 1ba6 h PHE 19 N -1.06 0.89 0.00 5.19 0.04 -1.53 -0.53 116.94 119.94 1ba6 h PHE 19 Ca -0.10 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1ba6 h PHE 19 Cb 0.75 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1ba6 h PHE 19 CO -0.01 0.58 0.31 1.19 -0.60 0.00 0.00 178.31 179.78 1ba6 n PHE 20 N -4.58 0.27 0.00 -0.55 3.72 -0.53 -0.16 117.46 115.63 1ba6 n PHE 20 Ca 0.06 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1ba6 n PHE 20 Cb 0.03 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.08 1ba6 n PHE 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ba6 n ALA 21 N -1.45 2.27 -0.04 4.37 0.00 -0.97 -4.54 120.51 120.16 1ba6 n ALA 21 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1ba6 n ALA 21 Cb 0.32 0.33 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.74 0.00 5.08 -0.92 -3.12 114.58 114.84 1ba6 h GLU 22 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1ba6 h GLU 22 Cb 0.66 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1ba6 h GLU 22 CO 0.00 0.68 0.26 0.22 -1.00 0.00 0.00 179.01 179.16 1ba6 h ASP 23 N -0.89 1.06 -0.77 1.42 1.82 -0.70 0.18 116.42 118.53 1ba6 h ASP 23 Ca -0.00 -0.19 0.07 0.00 -0.39 0.00 0.00 57.03 56.51 1ba6 h ASP 23 Cb 0.73 -0.28 -0.05 0.00 0.68 0.00 0.00 39.33 40.41 1ba6 h ASP 23 CO 0.01 0.97 0.50 -0.37 -1.61 0.00 0.00 179.24 178.74 1ba6 h VAL 24 N 1.09 1.01 0.03 2.25 -1.51 -1.56 -0.18 116.25 117.39 1ba6 h VAL 24 Ca 0.24 -0.27 -0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1ba6 h VAL 24 Cb 0.27 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.58 1ba6 h VAL 24 CO -0.01 0.15 -0.01 1.23 -1.23 0.00 0.00 177.57 177.69 1ba6 h GLY 25 N 0.80 -0.04 0.22 5.19 0.00 -1.29 -3.27 103.07 104.67 1ba6 h GLY 25 Ca 0.34 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.72 1ba6 h GLY 25 CO -0.12 -0.02 -0.35 1.76 0.00 0.00 0.00 176.54 177.81 1ba6 h SER 26 N -0.34 -1.07 -3.58 0.19 0.02 0.41 -3.43 113.55 105.76 1ba6 h SER 26 Ca -0.00 0.14 -0.28 0.00 -0.84 0.00 0.00 61.79 60.81 1ba6 h SER 26 Cb 0.31 0.43 0.10 0.00 0.14 0.00 0.00 62.40 63.38 1ba6 h SER 26 CO 0.01 -0.40 0.21 -0.46 -1.14 0.00 0.00 176.83 175.05 1ba6 n ASN 27 N -5.43 0.28 -2.61 3.07 0.23 -0.22 -4.02 115.26 106.57 1ba6 n ASN 27 Ca -0.05 -1.42 -0.16 0.00 -0.53 0.00 0.00 54.58 52.43 1ba6 n ASN 27 Cb 0.34 -0.58 -0.00 0.00 -2.08 0.00 0.00 39.78 37.46 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 -2.62 -2.53 0.00 -3.83 5.02 -1.26 -4.50 118.16 108.45 1ba6 n LYS 28 Ca 0.10 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 1ba6 n LYS 28 Cb 0.37 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 30.05 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 -0.95 0.00 0.00 0.72 0.00 -1.26 -4.97 105.19 98.73 1ba6 n GLY 29 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 -0.60 4.61 0.00 -1.26 -4.98 120.51 118.29 1ba6 n ALA 30 Ca 0.00 0.00 0.48 0.00 0.00 0.00 0.00 53.44 53.92 1ba6 n ALA 30 Cb 0.00 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.22 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 0.05 -1.17 0.00 1.08 -1.90 -0.12 117.51 115.45 1ba6 h ILE 31 Ca 0.00 -0.00 0.34 0.00 -0.39 0.00 0.00 64.86 64.80 1ba6 h ILE 31 Cb 0.00 0.04 -0.05 0.00 -3.07 0.00 0.00 36.82 33.73 1ba6 h ILE 31 CO 0.00 0.00 0.83 -0.29 -0.69 0.00 0.00 178.15 178.01 1ba6 h ILE 32 N 0.01 0.42 0.00 -0.67 2.10 -2.00 -3.05 117.51 114.31 1ba6 h ILE 32 Ca 0.89 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 66.82 1ba6 h ILE 32 Cb 3.34 0.38 0.00 0.00 -1.09 0.00 0.00 36.82 39.45 1ba6 h ILE 32 CO -0.16 0.01 -0.50 0.61 -1.08 0.00 0.00 178.15 177.03 1ba6 n GLY 33 N -1.74 0.00 2.48 8.18 0.00 -0.55 -5.27 105.19 108.29 1ba6 n GLY 33 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.18 -6.32 0.00 0.99 0.00 -0.17 -5.18 117.00 105.13 1ba6 n LEU 34 Ca 0.00 2.59 0.00 0.00 0.00 0.00 0.00 56.01 58.60 1ba6 n LEU 34 Cb 0.22 -3.24 0.00 0.00 0.00 0.00 0.00 43.42 40.39 1ba6 n LEU 34 CO 0.00 -3.47 0.00 0.52 0.00 0.00 0.00 177.39 174.44 1ba6 n VAL 36 N 1.81 0.00 -1.48 1.96 0.31 -1.26 -5.05 118.33 114.62 1ba6 n VAL 36 Ca -0.20 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 63.96 1ba6 n VAL 36 Cb 0.31 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.17 1ba6 n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ba6 n GLY 37 N 0.00 1.61 3.32 2.92 0.00 -1.26 -2.13 105.19 109.65 1ba6 n GLY 37 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.20 -0.52 1.57 -0.02 0.00 -1.26 -4.85 105.19 99.91 1ba6 n GLY 38 Ca -0.17 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.54 2.03 0.56 1.61 3.14 -0.90 -5.21 118.33 115.02 1ba6 n VAL 39 Ca -0.05 -0.90 0.04 0.00 -2.96 0.00 0.00 64.34 60.47 1ba6 n VAL 39 Cb 0.58 -0.77 0.27 0.00 -1.06 0.00 0.00 33.84 32.86 1ba6 n VAL 39 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89