#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 -1.23 -2.41 -1.67 0.00 -1.26 -4.86 120.51 109.09 1ba6 n ALA 2 Ca 0.00 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 1ba6 n ALA 2 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 19.45 15.65 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 -4.41 4.21 -2.44 0.00 0.00 -1.26 -5.00 120.64 111.75 1ba6 n GLU 3 Ca 0.05 -3.82 -0.36 0.00 0.00 0.00 0.00 57.16 53.03 1ba6 n GLU 3 Cb 0.51 -2.73 -0.03 0.00 0.00 0.00 0.00 31.44 29.20 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 -1.08 3.08 0.00 4.31 -0.12 -1.26 -5.05 117.98 117.86 1ba6 s PHE 4 Ca 0.41 1.60 0.00 0.00 -0.05 0.00 0.00 56.93 58.89 1ba6 s PHE 4 Cb 0.12 -3.20 0.00 0.00 -0.63 0.00 0.00 43.02 39.30 1ba6 s PHE 4 CO -0.01 -0.97 0.00 0.54 -0.05 0.00 0.00 175.22 174.73 1ba6 n ARG 5 N -0.38 0.00 -2.88 1.99 1.74 -1.26 -4.83 116.66 111.04 1ba6 n ARG 5 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1ba6 n ARG 5 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1ba6 n ARG 5 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1ba6 n HIS 6 N 0.00 0.00 -1.77 -1.55 -0.00 -1.26 -4.70 115.22 105.94 1ba6 n HIS 6 Ca 0.00 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.91 1ba6 n HIS 6 Cb 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.82 1ba6 n HIS 6 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1ba6 s ASP 7 N -3.27 4.58 -0.18 0.26 1.11 -1.26 -4.92 116.67 112.99 1ba6 s ASP 7 Ca 0.00 0.19 -0.01 0.00 0.18 0.00 0.00 52.55 52.91 1ba6 s ASP 7 Cb 0.00 -2.54 -0.00 0.00 1.07 0.00 0.00 42.92 41.45 1ba6 s ASP 7 CO 0.00 -3.08 -0.13 -0.44 1.18 0.00 0.00 175.17 172.71 1ba6 s SER 8 N 10.01 3.80 -1.10 0.27 0.01 -1.26 -4.55 113.70 120.87 1ba6 s SER 8 Ca 0.84 -0.46 -0.06 0.00 1.31 0.00 0.00 55.95 57.57 1ba6 s SER 8 Cb -0.12 -1.61 0.01 0.00 0.21 0.00 0.00 66.02 64.51 1ba6 s SER 8 CO 0.13 0.05 0.96 0.61 0.41 0.00 0.00 173.24 175.39 1ba6 n GLY 9 N 4.33 -0.28 2.71 3.44 0.00 -1.26 -4.89 105.19 109.23 1ba6 n GLY 9 Ca -0.19 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.44 2.81 0.05 1.61 4.19 -1.26 -4.47 117.16 115.65 1ba6 n TYR 10 Ca -0.03 -2.50 0.00 0.00 3.31 0.00 0.00 57.90 58.68 1ba6 n TYR 10 Cb 0.56 -1.21 0.00 0.00 0.49 0.00 0.00 39.34 39.18 1ba6 n TYR 10 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 1ba6 n GLU 11 N -0.15 0.00 -4.16 2.98 0.00 -1.26 -5.15 120.64 112.90 1ba6 n GLU 11 Ca 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.54 1ba6 n GLU 11 Cb 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.59 1ba6 n GLU 11 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1ba6 s VAL 12 N -1.19 0.72 -0.34 6.31 1.01 -1.26 -5.06 120.40 120.58 1ba6 s VAL 12 Ca 0.00 -1.79 0.14 0.00 0.00 0.00 0.00 61.98 60.33 1ba6 s VAL 12 Cb 0.00 -1.51 0.46 0.00 0.00 0.00 0.00 36.38 35.33 1ba6 s VAL 12 CO 0.00 -0.77 1.04 1.57 0.00 0.00 0.00 175.10 176.95 1ba6 n HIS 13 N 0.22 1.93 -0.55 5.22 -0.00 -1.26 -4.91 115.22 115.87 1ba6 n HIS 13 Ca -0.14 -2.72 -0.11 0.00 0.46 0.00 0.00 57.72 55.20 1ba6 n HIS 13 Cb 0.60 -0.27 0.04 0.00 -0.12 0.00 0.00 29.99 30.23 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 -0.32 1.14 0.00 1.57 1.44 -1.26 -3.91 115.22 113.88 1ba6 n HIS 14 Ca 0.20 -1.55 0.00 0.00 -2.01 0.00 0.00 57.72 54.36 1ba6 n HIS 14 Cb 0.79 -0.76 0.00 0.00 0.12 0.00 0.00 29.99 30.14 1ba6 n HIS 14 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1ba6 n GLN 15 N 0.47 0.00 0.26 -1.40 6.02 -1.26 -4.88 117.38 116.58 1ba6 n GLN 15 Ca 0.22 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.32 1ba6 n GLN 15 Cb 0.64 0.00 0.60 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 -1.09 -1.09 6.56 -1.99 -2.46 116.57 116.49 1ba6 h LYS 16 Ca 0.00 0.00 0.30 0.00 -1.06 0.00 0.00 60.65 59.89 1ba6 h LYS 16 Cb 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.58 1ba6 h LYS 16 CO 0.00 0.00 0.73 1.25 -2.06 0.00 0.00 179.45 179.37 1ba6 h LEU 17 N 0.00 0.31 0.81 2.94 7.12 -1.90 -1.29 115.31 123.30 1ba6 h LEU 17 Ca 0.00 0.06 -0.04 0.00 0.13 0.00 0.00 57.88 58.04 1ba6 h LEU 17 Cb 0.64 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.79 1ba6 h LEU 17 CO 0.00 0.04 -0.45 -0.37 -0.13 0.00 0.00 178.44 177.53 1ba6 h VAL 18 N 0.26 0.00 -0.95 1.05 -1.51 -1.78 -2.91 116.25 110.42 1ba6 h VAL 18 Ca 0.60 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 66.14 1ba6 h VAL 18 Cb 1.78 0.00 -0.07 0.00 -2.13 0.00 0.00 31.29 30.87 1ba6 h VAL 18 CO -0.22 0.00 0.60 -0.26 -1.23 0.00 0.00 177.57 176.45 1ba6 h PHE 19 N -1.17 1.10 -0.46 5.19 0.04 -1.54 -0.24 116.94 119.85 1ba6 h PHE 19 Ca -0.11 0.03 0.13 0.00 2.80 0.00 0.00 57.97 60.82 1ba6 h PHE 19 Cb 0.92 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 1ba6 h PHE 19 CO -0.05 0.54 0.81 0.35 -0.60 0.00 0.00 178.31 179.36 1ba6 h PHE 20 N 1.06 0.00 0.00 -0.55 3.04 -1.07 0.37 116.94 119.80 1ba6 h PHE 20 Ca 0.42 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.37 1ba6 h PHE 20 Cb 0.23 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1ba6 h PHE 20 CO -0.02 0.00 -0.90 0.00 -2.02 0.00 0.00 178.31 175.38 1ba6 n ALA 21 N -2.05 2.00 0.03 2.41 0.00 -0.85 -4.49 120.51 117.56 1ba6 n ALA 21 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 1ba6 n ALA 21 Cb 0.97 0.44 -0.08 0.00 0.00 0.00 0.00 19.45 20.78 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 -0.15 -0.45 0.00 5.08 -0.74 -3.01 114.58 115.31 1ba6 h GLU 22 Ca 0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1ba6 h GLU 22 Cb 0.90 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1ba6 h GLU 22 CO 0.00 0.33 0.05 0.22 -1.00 0.00 0.00 179.01 178.61 1ba6 h ASP 23 N -0.83 0.67 -0.79 1.42 1.82 -0.43 0.48 116.42 118.75 1ba6 h ASP 23 Ca -0.02 -0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.47 1ba6 h ASP 23 Cb 0.56 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.35 1ba6 h ASP 23 CO 0.03 0.70 0.42 -0.37 -1.61 0.00 0.00 179.24 178.41 1ba6 h VAL 24 N 0.68 1.24 0.37 2.25 -1.51 -1.61 0.17 116.25 117.83 1ba6 h VAL 24 Ca 0.14 -0.63 -0.02 0.00 -1.23 0.00 0.00 66.70 64.97 1ba6 h VAL 24 Cb 0.35 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.68 1ba6 h VAL 24 CO 0.01 0.28 -0.18 1.23 -1.23 0.00 0.00 177.57 177.68 1ba6 h GLY 25 N 1.16 -0.52 -5.02 5.19 0.00 -1.24 -2.92 103.07 99.72 1ba6 h GLY 25 Ca 0.28 0.19 -0.65 0.00 0.00 0.00 0.00 47.33 47.16 1ba6 h GLY 25 CO -0.04 -0.19 0.97 1.44 0.00 0.00 0.00 176.54 178.72 1ba6 n SER 26 N -5.25 7.11 -4.53 0.19 7.64 0.09 -5.00 113.62 113.88 1ba6 n SER 26 Ca -0.10 -3.43 -0.39 0.00 1.01 0.00 0.00 58.87 55.96 1ba6 n SER 26 Cb 0.25 -1.20 0.04 0.00 -1.01 0.00 0.00 64.21 62.28 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 0.51 -0.21 -2.40 6.43 0.23 0.53 -4.79 115.26 115.56 1ba6 n ASN 27 Ca 0.52 0.81 -0.02 0.00 -0.53 0.00 0.00 54.58 55.36 1ba6 n ASN 27 Cb 0.38 -1.25 0.09 0.00 -2.08 0.00 0.00 39.78 36.92 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 -0.24 0.94 0.00 -3.83 2.85 -1.26 -4.97 118.16 111.65 1ba6 n LYS 28 Ca 0.12 -0.97 0.00 0.00 -1.05 0.00 0.00 58.31 56.41 1ba6 n LYS 28 Cb 0.46 0.23 0.00 0.00 -0.65 0.00 0.00 35.03 35.07 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 -0.99 0.00 1.21 2.58 0.00 -1.26 -5.01 105.19 101.72 1ba6 n GLY 29 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.52 4.61 0.00 -1.26 -4.94 120.51 118.40 1ba6 n ALA 30 Ca 0.00 0.00 0.43 0.00 0.00 0.00 0.00 53.44 53.87 1ba6 n ALA 30 Cb 0.00 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.20 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 0.18 -0.60 0.00 5.03 -1.94 0.56 117.51 120.73 1ba6 h ILE 31 Ca 0.00 -0.01 0.17 0.00 -0.12 0.00 0.00 64.86 64.90 1ba6 h ILE 31 Cb 0.00 0.14 -0.02 0.00 -3.03 0.00 0.00 36.82 33.91 1ba6 h ILE 31 CO 0.00 0.01 0.55 -0.29 -0.68 0.00 0.00 178.15 177.73 1ba6 h ILE 32 N 0.04 0.43 0.00 -0.67 2.10 -1.99 -3.33 117.51 114.09 1ba6 h ILE 32 Ca 0.78 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.72 1ba6 h ILE 32 Cb 2.96 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 39.28 1ba6 h ILE 32 CO -0.11 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.57 1ba6 n GLY 33 N -1.58 1.00 2.87 8.18 0.00 -0.52 -5.13 105.19 110.01 1ba6 n GLY 33 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ba6 n GLY 33 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ba6 n LEU 34 N 0.00 0.00 0.00 0.99 -0.00 0.07 -4.54 117.00 113.52 1ba6 n LEU 34 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ba6 n LEU 34 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 1ba6 n LEU 34 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 177.39 177.94 1ba6 n VAL 36 N 0.00 0.00 0.00 1.47 3.14 -1.26 -5.06 118.33 116.62 1ba6 n VAL 36 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1ba6 n VAL 36 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 -1.13 0.27 3.71 7.55 0.00 -1.26 -5.04 105.19 109.28 1ba6 n GLY 37 Ca 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.31 -0.51 2.16 -0.02 0.00 -1.26 -4.87 105.19 99.38 1ba6 n GLY 38 Ca 0.00 0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.82 3.17 0.00 1.61 0.31 -1.26 -5.24 118.33 112.10 1ba6 n VAL 39 Ca -0.01 -2.09 0.00 0.00 -0.01 0.00 0.00 64.34 62.23 1ba6 n VAL 39 Cb 0.56 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 1ba6 n VAL 39 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06