#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 -1.09 -2.42 7.83 2.88 -1.26 -5.03 113.62 114.53 1bhi n SER 2 Ca 0.00 -1.75 -0.21 0.00 -1.33 0.00 0.00 58.87 55.58 1bhi n SER 2 Cb 0.00 1.81 -0.12 0.00 -0.75 0.00 0.00 64.21 65.15 1bhi n SER 2 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1bhi n ASP 3 N -1.25 6.32 -3.10 -3.46 8.00 -1.26 -4.61 116.55 117.19 1bhi n ASP 3 Ca -0.04 -2.59 -0.20 0.00 0.71 0.00 0.00 54.79 52.67 1bhi n ASP 3 Cb 0.28 -1.43 -0.00 0.00 -0.02 0.00 0.00 41.12 39.94 1bhi n ASP 3 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1bhi n ASP 4 N 2.58 -3.80 -0.06 -2.24 8.00 -1.26 -4.88 116.55 114.89 1bhi n ASP 4 Ca 0.53 -0.22 -0.11 0.00 0.71 0.00 0.00 54.79 55.70 1bhi n ASP 4 Cb 0.69 -3.17 -0.10 0.00 -0.02 0.00 0.00 41.12 38.53 1bhi n ASP 4 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1bhi h LYS 5 N -0.73 -0.01 -6.92 -1.24 1.57 -2.00 -3.46 116.57 103.79 1bhi h LYS 5 Ca -0.39 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.87 1bhi h LYS 5 Cb 1.27 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.65 1bhi h LYS 5 CO 0.47 0.74 0.59 -1.25 -0.57 0.00 0.00 179.45 179.43 1bhi s PRO 6 N -2.24 4.15 -1.16 3.15 0.04 -1.26 -4.90 135.00 132.78 1bhi s PRO 6 Ca -0.15 2.10 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 1bhi s PRO 6 Cb -0.02 -2.87 0.02 0.00 0.04 0.00 0.00 34.50 31.67 1bhi s PRO 6 CO 0.54 -0.32 1.74 -0.06 0.04 0.00 0.00 177.00 178.94 1bhi s PHE 7 N -1.24 2.42 -0.22 0.56 0.08 -1.25 -4.94 117.98 113.39 1bhi s PHE 7 Ca 0.54 -0.70 -0.17 0.00 0.12 0.00 0.00 56.93 56.72 1bhi s PHE 7 Cb -0.37 -4.49 -0.03 0.00 -0.57 0.00 0.00 43.02 37.56 1bhi s PHE 7 CO 0.48 -1.70 0.46 -1.17 -0.10 0.00 0.00 175.22 173.19 1bhi s LEU 8 N 6.64 4.12 0.24 -0.37 2.96 -1.26 -2.20 118.68 128.80 1bhi s LEU 8 Ca 0.57 0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 54.73 1bhi s LEU 8 Cb 0.01 -2.60 -0.10 0.00 0.50 0.00 0.00 46.19 44.00 1bhi s LEU 8 CO 0.04 -0.16 1.45 0.00 -1.32 0.00 0.00 176.35 176.36 1bhi n THR 10 N 2.53 2.56 -3.70 0.00 -1.04 -1.26 -4.44 114.28 108.93 1bhi n THR 10 Ca 0.07 -2.31 -0.13 0.00 -2.04 0.00 0.00 64.05 59.64 1bhi n THR 10 Cb 0.40 -2.41 -0.09 0.00 -1.82 0.00 0.00 70.33 66.41 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 4.89 -1.24 0.00 2.41 0.00 -1.26 -5.04 121.76 121.52 1bhi s ALA 11 Ca 0.55 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1bhi s ALA 11 Cb 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1bhi s ALA 11 CO 0.05 -0.24 0.62 -0.35 0.00 0.00 0.00 175.76 175.83 1bhi n PRO 12 N 3.00 0.00 0.00 0.00 -0.04 -1.26 -1.59 135.00 135.11 1bhi n PRO 12 Ca -0.15 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1bhi n PRO 12 Cb 0.56 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1bhi n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bhi n GLY 13 N 0.13 1.48 2.70 0.55 0.00 -1.26 -3.27 105.19 105.51 1bhi n GLY 13 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 4.30 3.79 0.00 0.00 -0.62 -4.46 105.19 106.80 1bhi n GLY 15 Ca -0.14 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 2.25 2.80 0.09 1.61 -0.21 -1.26 -4.64 119.66 120.30 1bhi s GLN 16 Ca 0.66 1.15 0.10 0.00 0.02 0.00 0.00 55.36 57.28 1bhi s GLN 16 Cb 0.17 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 32.18 1bhi s GLN 16 CO -0.07 -1.22 -0.25 0.50 -2.12 0.00 0.00 175.29 172.14 1bhi s ARG 17 N -4.61 1.45 0.14 2.91 3.00 -1.26 -0.90 118.95 119.68 1bhi s ARG 17 Ca 0.62 -1.20 -0.00 0.00 -1.00 0.00 0.00 55.73 54.14 1bhi s ARG 17 Cb -0.17 -1.78 -0.04 0.00 0.00 0.00 0.00 34.95 32.97 1bhi s ARG 17 CO 0.49 0.43 0.03 -0.06 0.00 0.00 0.00 175.30 176.19 1bhi s PHE 18 N -0.98 0.96 -0.51 5.12 0.40 -0.94 -5.03 117.98 117.01 1bhi s PHE 18 Ca 0.11 -1.15 0.24 0.00 -0.60 0.00 0.00 56.93 55.53 1bhi s PHE 18 Cb -0.10 -0.55 0.43 0.00 0.51 0.00 0.00 43.02 43.31 1bhi s PHE 18 CO 0.04 -0.40 1.56 1.79 0.70 0.00 0.00 175.22 178.91 1bhi h THR 19 N 2.82 0.00 -4.47 0.64 1.35 -2.01 -3.32 112.91 107.92 1bhi h THR 19 Ca -0.36 -0.81 -0.33 0.00 -0.55 0.00 0.00 66.41 64.37 1bhi h THR 19 Cb 1.20 1.71 -0.14 0.00 -1.73 0.00 0.00 68.15 69.19 1bhi h THR 19 CO 0.61 0.00 -0.58 0.54 -0.25 0.00 0.00 175.52 175.83 1bhi s ASN 20 N -5.47 0.78 0.32 5.36 2.20 -1.26 -4.95 114.94 111.92 1bhi s ASN 20 Ca 0.07 -1.49 0.22 0.00 -0.94 0.00 0.00 52.86 50.72 1bhi s ASN 20 Cb 0.08 0.40 0.17 0.00 -2.00 0.00 0.00 41.25 39.90 1bhi s ASN 20 CO 0.67 -0.88 1.34 -0.08 -2.94 0.00 0.00 177.10 175.21 1bhi h GLU 21 N 2.43 0.00 0.21 3.55 4.81 -1.96 -3.27 114.58 120.36 1bhi h GLU 21 Ca -0.34 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1bhi h GLU 21 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1bhi h GLU 21 CO 0.50 0.03 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.22 1bhi h ASP 22 N 0.00 -0.41 0.40 1.04 5.19 -1.99 0.43 116.42 121.07 1bhi h ASP 22 Ca -0.01 0.03 -0.08 0.00 -0.62 0.00 0.00 57.03 56.35 1bhi h ASP 22 Cb 1.04 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 1bhi h ASP 22 CO 0.00 -0.25 -0.40 0.45 -3.12 0.00 0.00 179.24 175.92 1bhi h HIS 23 N -0.38 0.00 -0.31 4.55 3.86 -2.00 -2.26 115.15 118.61 1bhi h HIS 23 Ca -0.01 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.08 1bhi h HIS 23 Cb 0.34 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1bhi h HIS 23 CO -0.11 0.40 -0.28 1.25 0.86 0.00 0.00 177.93 180.04 1bhi h LEU 24 N 0.00 0.65 0.71 2.43 5.85 -1.44 -2.57 115.31 120.93 1bhi h LEU 24 Ca -0.00 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1bhi h LEU 24 Cb 0.71 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.57 1bhi h LEU 24 CO 0.05 0.90 -0.34 0.00 -0.34 0.00 0.00 178.44 178.71 1bhi h ALA 25 N 1.15 -0.95 -0.97 1.25 0.00 0.42 0.26 119.26 120.41 1bhi h ALA 25 Ca 0.07 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1bhi h ALA 25 Cb 0.76 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1bhi h ALA 25 CO 0.06 -0.97 0.63 -0.39 0.00 0.00 0.00 179.25 178.58 1bhi h VAL 26 N -1.08 1.10 -0.46 0.00 -1.51 -1.57 0.17 116.25 112.91 1bhi h VAL 26 Ca -0.10 -0.40 -0.09 0.00 -1.23 0.00 0.00 66.70 64.89 1bhi h VAL 26 Cb 0.76 -0.15 -0.02 0.00 -2.13 0.00 0.00 31.29 29.75 1bhi h VAL 26 CO 0.16 0.21 -0.07 -0.74 -1.23 0.00 0.00 177.57 175.90 1bhi h HIS 27 N 1.15 0.96 -0.20 5.19 6.17 -1.34 -2.67 115.15 124.41 1bhi h HIS 27 Ca 0.41 -0.19 -0.08 0.00 0.71 0.00 0.00 60.37 61.23 1bhi h HIS 27 Cb 0.15 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.82 1bhi h HIS 27 CO -0.00 0.94 -0.21 0.87 0.71 0.00 0.00 177.93 180.24 1bhi h LYS 28 N 0.70 0.36 -0.40 5.26 1.79 0.42 -2.60 116.57 122.09 1bhi h LYS 28 Ca 0.12 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1bhi h LYS 28 Cb 0.60 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 1bhi h LYS 28 CO 0.04 0.56 0.17 1.25 -1.08 0.00 0.00 179.45 180.38 1bhi h HIS 29 N 0.33 0.55 -0.62 -1.35 2.76 -0.36 0.84 115.15 117.29 1bhi h HIS 29 Ca 0.06 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 1bhi h HIS 29 Cb 0.56 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 1bhi h HIS 29 CO 0.01 0.43 0.14 0.87 -1.30 0.00 0.00 177.93 178.09 1bhi h LYS 30 N 0.56 1.01 -0.43 5.26 1.79 -1.25 0.23 116.57 123.74 1bhi h LYS 30 Ca 0.14 -0.25 -0.06 0.00 -2.18 0.00 0.00 60.65 58.30 1bhi h LYS 30 Cb 0.10 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 1bhi h LYS 30 CO -0.02 0.92 0.02 0.45 -1.08 0.00 0.00 179.45 179.74 1bhi h HIS 31 N 0.92 0.81 -0.72 -1.35 3.86 -1.27 -2.74 115.15 114.66 1bhi h HIS 31 Ca 0.19 -0.13 0.08 0.00 -1.16 0.00 0.00 60.37 59.35 1bhi h HIS 31 Cb 0.37 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.57 1bhi h HIS 31 CO 0.03 0.79 0.39 1.49 0.86 0.00 0.00 177.93 181.49 1bhi h GLU 32 N 0.59 0.67 -2.37 2.45 4.81 -0.55 -2.42 114.58 117.75 1bhi h GLU 32 Ca 0.12 -0.04 -0.39 0.00 -0.13 0.00 0.00 59.36 58.92 1bhi h GLU 32 Cb 0.46 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 1bhi h GLU 32 CO 0.02 0.44 1.24 -1.33 -0.73 0.00 0.00 179.01 178.65 1bhi n MET 33 N -4.80 2.71 -0.07 1.92 2.81 0.04 -4.58 117.12 115.16 1bhi n MET 33 Ca 0.10 -1.59 0.02 0.00 -1.81 0.00 0.00 57.70 54.43 1bhi n MET 33 Cb 0.23 -2.31 0.34 0.00 -0.71 0.00 0.00 33.22 30.77 1bhi n MET 33 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1bhi h THR 34 N 2.37 1.15 -0.17 2.03 1.03 -1.53 -3.32 112.91 114.47 1bhi h THR 34 Ca 0.46 -0.33 -0.20 0.00 -0.01 0.00 0.00 66.41 66.33 1bhi h THR 34 Cb 1.00 0.43 -0.24 0.00 -1.07 0.00 0.00 68.15 68.27 1bhi h THR 34 CO 0.85 0.16 -0.59 -0.11 -0.01 0.00 0.00 175.52 175.82 1bhi n LEU 35 N -4.43 -0.35 -0.05 0.00 7.94 -1.26 -4.93 117.00 113.93 1bhi n LEU 35 Ca 0.04 -3.16 -0.22 0.00 -1.11 0.00 0.00 56.01 51.57 1bhi n LEU 35 Cb 0.08 0.23 -0.13 0.00 0.53 0.00 0.00 43.42 44.13 1bhi n LEU 35 CO 0.36 1.47 -0.83 1.17 -1.11 0.00 0.00 177.39 178.45 1bhi n LYS 36 N -1.17 0.69 0.07 1.96 3.00 -1.25 -5.00 118.16 116.46 1bhi n LYS 36 Ca -0.08 0.33 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 1bhi n LYS 36 Cb 0.85 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 34.19 1bhi n LYS 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1bhi n PHE 37 N -3.75 -3.15 0.00 5.64 7.35 -1.26 -5.15 117.46 117.14 1bhi n PHE 37 Ca -0.35 0.48 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 1bhi n PHE 37 Cb 0.94 1.54 0.00 0.00 0.35 0.00 0.00 39.48 42.31 1bhi n PHE 37 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41