#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhi n SER 2 N 0.00 -1.28 -2.39 3.17 2.88 -1.26 -4.84 113.62 109.90 1bhi n SER 2 Ca 0.00 -0.83 -0.21 0.00 -1.33 0.00 0.00 58.87 56.50 1bhi n SER 2 Cb 0.00 -3.98 -0.12 0.00 -0.75 0.00 0.00 64.21 59.36 1bhi n SER 2 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1bhi n ASP 3 N -3.04 6.24 0.00 -3.46 2.03 -1.26 -4.94 116.55 112.12 1bhi n ASP 3 Ca -0.28 -2.64 0.00 0.00 0.52 0.00 0.00 54.79 52.39 1bhi n ASP 3 Cb 0.67 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 1bhi n ASP 3 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1bhi n ASP 4 N 2.42 0.00 -3.68 1.67 8.00 -1.26 -3.15 116.55 120.56 1bhi n ASP 4 Ca 0.52 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.72 1bhi n ASP 4 Cb 0.70 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.67 1bhi n ASP 4 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1bhi s LYS 5 N 0.00 0.98 0.19 -1.24 1.02 -1.26 -5.12 119.74 114.31 1bhi s LYS 5 Ca 0.00 -1.60 -0.30 0.00 0.02 0.00 0.00 55.97 54.09 1bhi s LYS 5 Cb 0.00 -2.05 -0.08 0.00 -0.52 0.00 0.00 37.83 35.17 1bhi s LYS 5 CO 0.00 -1.11 1.24 -1.25 -0.92 0.00 0.00 175.35 173.30 1bhi s PRO 6 N 0.87 4.46 -0.38 -1.68 0.04 -1.19 -4.40 135.00 132.72 1bhi s PRO 6 Ca 0.15 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.15 1bhi s PRO 6 Cb -0.22 -3.22 0.15 0.00 0.04 0.00 0.00 34.50 31.25 1bhi s PRO 6 CO -0.07 -0.14 0.26 -0.06 0.04 0.00 0.00 177.00 177.02 1bhi s PHE 7 N -0.03 0.91 -0.36 0.56 0.08 -1.20 -5.02 117.98 112.91 1bhi s PHE 7 Ca 0.54 -1.92 -0.24 0.00 0.12 0.00 0.00 56.93 55.43 1bhi s PHE 7 Cb -0.34 -0.95 0.01 0.00 -0.57 0.00 0.00 43.02 41.17 1bhi s PHE 7 CO 0.38 -0.83 0.82 -1.17 -0.10 0.00 0.00 175.22 174.32 1bhi s LEU 8 N 0.66 4.09 0.08 -0.37 2.96 -1.26 -2.96 118.68 121.88 1bhi s LEU 8 Ca 0.24 0.46 -0.31 0.00 -0.22 0.00 0.00 54.13 54.30 1bhi s LEU 8 Cb -0.13 -3.10 -0.08 0.00 0.50 0.00 0.00 46.19 43.38 1bhi s LEU 8 CO -0.07 -0.75 1.56 0.00 -1.32 0.00 0.00 176.35 175.77 1bhi n THR 10 N 4.47 4.03 -4.19 0.00 -1.04 -1.26 -4.28 114.28 112.00 1bhi n THR 10 Ca 0.14 -4.18 -0.17 0.00 -2.04 0.00 0.00 64.05 57.80 1bhi n THR 10 Cb 0.41 -2.43 -0.13 0.00 -1.82 0.00 0.00 70.33 66.36 1bhi n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bhi s ALA 11 N 2.65 0.86 -0.29 2.41 0.00 -1.26 -5.06 121.76 121.07 1bhi s ALA 11 Ca 0.47 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 51.40 1bhi s ALA 11 Cb 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1bhi s ALA 11 CO 0.02 0.11 2.06 -1.25 0.00 0.00 0.00 175.76 176.70 1bhi s PRO 12 N -1.26 3.11 0.00 0.00 0.04 -1.26 -3.28 135.00 132.35 1bhi s PRO 12 Ca -0.03 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1bhi s PRO 12 Cb -0.08 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1bhi s PRO 12 CO 0.01 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.34 1bhi n GLY 13 N 5.65 0.95 2.00 0.56 0.00 -1.26 -4.74 105.19 108.36 1bhi n GLY 13 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 1bhi n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhi n GLY 15 N 1.40 4.62 3.82 0.00 0.00 -1.23 -4.48 105.19 109.33 1bhi n GLY 15 Ca 0.33 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 1bhi n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bhi s GLN 16 N 1.51 3.00 0.09 1.61 -0.21 -1.26 -4.61 119.66 119.78 1bhi s GLN 16 Ca 0.49 0.96 0.08 0.00 0.02 0.00 0.00 55.36 56.92 1bhi s GLN 16 Cb 0.14 -2.00 -0.03 0.00 1.00 0.00 0.00 33.01 32.12 1bhi s GLN 16 CO -0.05 -1.05 -0.21 0.50 -2.12 0.00 0.00 175.29 172.35 1bhi s ARG 17 N -4.98 1.20 0.17 2.91 3.00 -1.26 -1.13 118.95 118.87 1bhi s ARG 17 Ca 0.58 -1.14 -0.01 0.00 -1.00 0.00 0.00 55.73 54.17 1bhi s ARG 17 Cb -0.14 -1.46 -0.04 0.00 0.00 0.00 0.00 34.95 33.31 1bhi s ARG 17 CO 0.54 0.35 0.10 -0.06 0.00 0.00 0.00 175.30 176.22 1bhi s PHE 18 N -1.08 1.04 -0.23 5.12 0.40 -1.15 -5.00 117.98 117.08 1bhi s PHE 18 Ca 0.07 -1.32 0.21 0.00 -0.60 0.00 0.00 56.93 55.29 1bhi s PHE 18 Cb -0.10 -0.53 0.01 0.00 0.51 0.00 0.00 43.02 42.91 1bhi s PHE 18 CO 0.04 -0.59 1.07 0.00 0.70 0.00 0.00 175.22 176.44 1bhi h THR 19 N 2.72 0.14 -3.97 0.64 1.03 -1.92 -3.19 112.91 108.36 1bhi h THR 19 Ca -0.36 -1.25 -0.52 0.00 -0.01 0.00 0.00 66.41 64.27 1bhi h THR 19 Cb 1.23 1.70 -0.22 0.00 -1.07 0.00 0.00 68.15 69.78 1bhi h THR 19 CO 0.55 0.08 -0.82 0.20 -0.01 0.00 0.00 175.52 175.53 1bhi s ASN 20 N -5.58 2.28 0.43 0.00 0.01 -1.26 -4.47 114.94 106.34 1bhi s ASN 20 Ca -0.00 -0.64 0.22 0.00 -0.71 0.00 0.00 52.86 51.73 1bhi s ASN 20 Cb 0.09 -0.12 0.94 0.00 0.41 0.00 0.00 41.25 42.57 1bhi s ASN 20 CO 0.78 0.04 1.85 -0.08 -1.51 0.00 0.00 177.10 178.18 1bhi h GLU 21 N 4.27 0.00 -0.65 -0.60 4.81 -1.91 -2.97 114.58 117.52 1bhi h GLU 21 Ca -0.44 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.88 1bhi h GLU 21 Cb 1.18 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 1bhi h GLU 21 CO 0.40 0.27 0.29 -0.44 -0.73 0.00 0.00 179.01 178.81 1bhi h ASP 22 N 0.00 0.36 -0.00 1.04 5.19 -1.99 0.37 116.42 121.39 1bhi h ASP 22 Ca -0.00 0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.36 1bhi h ASP 22 Cb 0.69 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 1bhi h ASP 22 CO 0.03 0.21 -0.32 0.45 -3.12 0.00 0.00 179.24 176.49 1bhi h HIS 23 N 0.52 0.53 0.00 4.55 3.86 -1.96 -2.32 115.15 120.34 1bhi h HIS 23 Ca 0.32 -0.13 -0.10 0.00 -1.16 0.00 0.00 60.37 59.30 1bhi h HIS 23 Cb 0.35 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1bhi h HIS 23 CO -0.13 0.73 -0.50 1.25 0.86 0.00 0.00 177.93 180.15 1bhi h LEU 24 N 0.40 0.00 0.82 2.43 5.85 -1.07 -2.03 115.31 121.71 1bhi h LEU 24 Ca 0.05 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1bhi h LEU 24 Cb 0.76 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.80 1bhi h LEU 24 CO 0.06 0.50 -0.40 0.00 -0.34 0.00 0.00 178.44 178.26 1bhi h ALA 25 N 1.50 -1.11 -0.74 1.25 0.00 0.22 0.19 119.26 120.58 1bhi h ALA 25 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1bhi h ALA 25 Cb 0.88 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1bhi h ALA 25 CO 0.06 -1.03 0.47 -0.39 0.00 0.00 0.00 179.25 178.36 1bhi h VAL 26 N -1.30 1.20 0.52 0.00 -1.51 -1.55 0.15 116.25 113.76 1bhi h VAL 26 Ca -0.11 -0.41 -0.03 0.00 -1.23 0.00 0.00 66.70 64.93 1bhi h VAL 26 Cb 0.85 0.13 0.01 0.00 -2.13 0.00 0.00 31.29 30.14 1bhi h VAL 26 CO 0.19 0.20 -0.25 -0.74 -1.23 0.00 0.00 177.57 175.74 1bhi h HIS 27 N 1.02 -0.65 0.00 5.19 6.17 -1.31 -2.85 115.15 122.71 1bhi h HIS 27 Ca 0.27 -0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.28 1bhi h HIS 27 Cb -0.08 0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.06 1bhi h HIS 27 CO 0.00 -0.32 -0.24 1.57 0.71 0.00 0.00 177.93 179.65 1bhi h LYS 28 N -0.99 0.00 -0.70 5.26 2.10 -0.51 -2.40 116.57 119.33 1bhi h LYS 28 Ca -0.07 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.55 1bhi h LYS 28 Cb 0.62 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.92 1bhi h LYS 28 CO 0.12 0.24 0.31 1.25 -2.00 0.00 0.00 179.45 179.37 1bhi h HIS 29 N 0.00 1.01 -0.47 0.07 2.76 -0.65 0.37 115.15 118.23 1bhi h HIS 29 Ca -0.00 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.05 1bhi h HIS 29 Cb 0.53 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 1bhi h HIS 29 CO 0.00 0.75 0.00 -0.22 -1.30 0.00 0.00 177.93 177.16 1bhi h LYS 30 N 1.00 0.77 0.11 5.26 3.64 -1.19 -2.60 116.57 123.55 1bhi h LYS 30 Ca 0.24 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1bhi h LYS 30 Cb 0.13 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1bhi h LYS 30 CO -0.03 0.78 -0.05 0.45 -2.27 0.00 0.00 179.45 178.32 1bhi h HIS 31 N 0.72 -0.14 -0.16 1.91 3.86 -1.39 -3.32 115.15 116.64 1bhi h HIS 31 Ca 0.14 -0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.00 1bhi h HIS 31 Cb 0.44 0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.89 1bhi h HIS 31 CO 0.02 0.27 0.73 -1.91 0.86 0.00 0.00 177.93 177.90 1bhi n GLU 32 N -4.84 2.52 -3.20 2.45 2.13 0.12 -4.89 120.64 114.92 1bhi n GLU 32 Ca -0.06 -1.50 -0.41 0.00 0.66 0.00 0.00 57.16 55.86 1bhi n GLU 32 Cb 0.23 -2.21 -0.07 0.00 0.27 0.00 0.00 31.44 29.65 1bhi n GLU 32 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 1bhi s MET 33 N 0.89 3.87 0.34 5.31 1.75 -0.98 -4.78 119.30 125.69 1bhi s MET 33 Ca 0.66 0.14 0.11 0.00 -1.25 0.00 0.00 55.69 55.36 1bhi s MET 33 Cb 0.29 -3.73 0.60 0.00 2.84 0.00 0.00 34.83 34.83 1bhi s MET 33 CO -0.04 -0.52 1.76 0.00 -0.65 0.00 0.00 175.02 175.58 1bhi h THR 34 N 5.52 1.31 -2.84 10.11 1.03 -1.90 -3.31 112.91 122.82 1bhi h THR 34 Ca -0.28 -1.47 -0.62 0.00 -0.01 0.00 0.00 66.41 64.04 1bhi h THR 34 Cb 1.13 1.76 -0.42 0.00 -1.07 0.00 0.00 68.15 69.55 1bhi h THR 34 CO 0.76 0.42 -0.57 -0.11 -0.01 0.00 0.00 175.52 176.02 1bhi n LEU 35 N -4.03 3.27 -4.73 0.00 -0.00 -1.26 -5.09 117.00 105.16 1bhi n LEU 35 Ca -0.02 -5.28 -0.39 0.00 -0.00 0.00 0.00 56.01 50.32 1bhi n LEU 35 Cb 0.46 -0.74 0.04 0.00 -0.00 0.00 0.00 43.42 43.17 1bhi n LEU 35 CO 0.40 1.84 0.96 0.29 -0.00 0.00 0.00 177.39 180.88 1bhi n LYS 36 N 1.64 1.77 0.05 1.96 5.02 -1.25 -4.88 118.16 122.47 1bhi n LYS 36 Ca 0.23 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 1bhi n LYS 36 Cb 0.37 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.84 1bhi n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1bhi n PHE 37 N -0.83 -1.88 -0.58 2.13 7.35 -1.26 -5.18 117.46 117.20 1bhi n PHE 37 Ca 0.09 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 1bhi n PHE 37 Cb 0.44 0.98 0.00 0.00 0.35 0.00 0.00 39.48 41.24 1bhi n PHE 37 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41