#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 0.00 -0.06 7.83 7.64 -1.26 -4.45 113.62 123.33 1bhi n SER 2 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1bhi n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1bhi n SER 2 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1bhi h ASP 3 N 0.00 0.28 -4.04 6.43 3.58 -2.09 -3.43 116.42 117.14 1bhi h ASP 3 Ca 0.00 -0.16 -0.54 0.00 0.42 0.00 0.00 57.03 56.75 1bhi h ASP 3 Cb 0.00 -0.07 0.12 0.00 1.72 0.00 0.00 39.33 41.10 1bhi h ASP 3 CO 0.00 0.36 0.57 1.51 -2.88 0.00 0.00 179.24 178.81 1bhi s ASP 4 N -5.60 5.41 0.07 2.28 -4.77 -1.26 -5.03 116.67 107.76 1bhi s ASP 4 Ca -0.14 2.65 0.08 0.00 -3.30 0.00 0.00 52.55 51.84 1bhi s ASP 4 Cb 0.07 -2.63 -0.04 0.00 -1.09 0.00 0.00 42.92 39.24 1bhi s ASP 4 CO 0.71 -1.47 -0.17 -0.54 0.70 0.00 0.00 175.17 174.40 1bhi s LYS 5 N -2.91 1.97 -0.37 2.11 -0.14 -1.26 -4.78 119.74 114.37 1bhi s LYS 5 Ca 0.71 -1.05 -0.29 0.00 -1.36 0.00 0.00 55.97 53.98 1bhi s LYS 5 Cb -0.37 -2.17 -0.00 0.00 -1.68 0.00 0.00 37.83 33.60 1bhi s LYS 5 CO 0.44 0.52 1.61 -1.25 -0.76 0.00 0.00 175.35 175.90 1bhi s PRO 6 N -1.75 3.46 -0.71 -1.68 0.04 -1.26 -4.62 135.00 128.47 1bhi s PRO 6 Ca 0.16 1.18 -0.20 0.00 0.04 0.00 0.00 61.00 62.19 1bhi s PRO 6 Cb -0.11 -4.11 0.10 0.00 0.04 0.00 0.00 34.50 30.42 1bhi s PRO 6 CO 0.08 -1.71 0.92 -0.06 0.04 0.00 0.00 177.00 176.27 1bhi s PHE 7 N 6.15 2.92 -0.32 0.56 0.08 -0.16 -4.92 117.98 122.29 1bhi s PHE 7 Ca 0.71 -0.94 -0.19 0.00 0.12 0.00 0.00 56.93 56.62 1bhi s PHE 7 Cb -0.18 -4.19 -0.01 0.00 -0.57 0.00 0.00 43.02 38.07 1bhi s PHE 7 CO 0.33 -1.48 0.56 -1.17 -0.10 0.00 0.00 175.22 173.36 1bhi s LEU 8 N 3.15 4.20 -0.73 -0.37 0.20 -1.26 -1.54 118.68 122.33 1bhi s LEU 8 Ca 0.21 0.25 -0.26 0.00 0.69 0.00 0.00 54.13 55.02 1bhi s LEU 8 Cb -0.16 -2.68 0.01 0.00 -0.43 0.00 0.00 46.19 42.93 1bhi s LEU 8 CO 0.03 -0.44 1.58 0.00 -0.29 0.00 0.00 176.35 177.23 1bhi n THR 10 N 6.89 0.19 -3.54 0.00 -1.04 -1.26 -3.89 114.28 111.62 1bhi n THR 10 Ca 0.16 -0.37 -0.17 0.00 -2.04 0.00 0.00 64.05 61.63 1bhi n THR 10 Cb 0.50 -2.00 -0.06 0.00 -1.82 0.00 0.00 70.33 66.95 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 8.30 -1.77 0.00 2.41 0.00 -1.26 -4.92 121.76 124.51 1bhi s ALA 11 Ca 1.07 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.50 1bhi s ALA 11 Cb -0.64 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1bhi s ALA 11 CO 0.42 -0.36 0.29 -0.35 0.00 0.00 0.00 175.76 175.76 1bhi n PRO 12 N 1.28 0.00 -0.29 0.00 -0.04 -1.26 -2.14 135.00 132.55 1bhi n PRO 12 Ca -0.18 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1bhi n PRO 12 Cb 0.57 -0.82 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 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 0.90 2.23 1.42 0.55 0.00 -1.26 -4.16 105.19 104.87 1bhi n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.18 -0.25 3.84 0.00 0.00 -0.91 -4.94 105.19 102.74 1bhi n GLY 15 Ca 0.00 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -6.79 4.08 0.06 1.61 -0.21 -1.25 -4.80 119.66 112.35 1bhi s GLN 16 Ca 0.18 0.86 0.06 0.00 0.02 0.00 0.00 55.36 56.48 1bhi s GLN 16 Cb -0.10 -2.31 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 1bhi s GLN 16 CO 0.92 0.04 -0.18 0.50 -2.12 0.00 0.00 175.29 174.45 1bhi s ARG 17 N -3.18 1.08 0.13 2.91 3.00 -1.26 -0.46 118.95 121.17 1bhi s ARG 17 Ca 0.57 -0.96 0.01 0.00 -1.00 0.00 0.00 55.73 54.36 1bhi s ARG 17 Cb -0.10 -1.19 -0.04 0.00 0.00 0.00 0.00 34.95 33.62 1bhi s ARG 17 CO 0.17 0.29 -0.01 -0.06 0.00 0.00 0.00 175.30 175.69 1bhi s PHE 18 N -1.01 0.99 -0.63 5.12 0.40 -0.59 -4.96 117.98 117.31 1bhi s PHE 18 Ca 0.04 -1.03 0.25 0.00 -0.60 0.00 0.00 56.93 55.59 1bhi s PHE 18 Cb -0.09 -0.57 0.45 0.00 0.51 0.00 0.00 43.02 43.32 1bhi s PHE 18 CO 0.02 -0.26 1.45 0.00 0.70 0.00 0.00 175.22 177.13 1bhi h THR 19 N 2.85 0.00 -4.07 0.64 1.03 -1.88 -0.41 112.91 111.06 1bhi h THR 19 Ca -0.36 -0.55 -0.43 0.00 -0.01 0.00 0.00 66.41 65.07 1bhi h THR 19 Cb 1.19 1.27 -0.27 0.00 -1.07 0.00 0.00 68.15 69.26 1bhi h THR 19 CO 0.63 0.00 -0.79 0.20 -0.01 0.00 0.00 175.52 175.55 1bhi s ASN 20 N -4.50 1.38 0.52 0.00 -0.87 -1.26 -4.32 114.94 105.89 1bhi s ASN 20 Ca 0.07 -0.30 0.29 0.00 -1.57 0.00 0.00 52.86 51.35 1bhi s ASN 20 Cb 0.12 -0.12 1.40 0.00 -0.02 0.00 0.00 41.25 42.63 1bhi s ASN 20 CO 0.69 0.09 2.03 1.05 -2.57 0.00 0.00 177.10 178.39 1bhi h GLU 21 N 5.50 0.00 -0.67 -0.60 4.11 -1.91 -2.51 114.58 118.51 1bhi h GLU 21 Ca -0.34 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.14 1bhi h GLU 21 Cb 1.18 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 1bhi h GLU 21 CO 0.47 0.12 0.38 -0.44 0.07 0.00 0.00 179.01 179.61 1bhi h ASP 22 N 0.00 0.56 0.28 3.06 5.19 -1.99 0.25 116.42 123.78 1bhi h ASP 22 Ca -0.00 0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.33 1bhi h ASP 22 Cb 0.42 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 1bhi h ASP 22 CO 0.02 0.37 -0.42 0.45 -3.12 0.00 0.00 179.24 176.54 1bhi h HIS 23 N 0.70 0.21 -0.24 4.55 3.86 -1.88 -2.44 115.15 119.91 1bhi h HIS 23 Ca 0.30 -0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.33 1bhi h HIS 23 Cb 0.17 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1bhi h HIS 23 CO -0.07 0.57 -0.38 1.25 0.86 0.00 0.00 177.93 180.16 1bhi h LEU 24 N 0.15 0.56 0.81 2.43 5.85 -1.04 -2.19 115.31 121.87 1bhi h LEU 24 Ca 0.01 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 1bhi h LEU 24 Cb 0.81 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.69 1bhi h LEU 24 CO 0.06 0.88 -0.39 0.00 -0.34 0.00 0.00 178.44 178.65 1bhi h ALA 25 N 1.15 -1.09 -0.75 1.25 0.00 -0.09 0.16 119.26 119.89 1bhi h ALA 25 Ca 0.04 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1bhi h ALA 25 Cb 0.86 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1bhi h ALA 25 CO 0.07 -1.09 0.49 -0.39 0.00 0.00 0.00 179.25 178.33 1bhi h VAL 26 N -1.13 1.19 -0.10 0.00 -1.51 -1.56 0.21 116.25 113.36 1bhi h VAL 26 Ca -0.11 -0.35 -0.01 0.00 -1.23 0.00 0.00 66.70 65.00 1bhi h VAL 26 Cb 0.84 0.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.09 1bhi h VAL 26 CO 0.18 0.19 0.02 -0.74 -1.23 0.00 0.00 177.57 175.99 1bhi h HIS 27 N 1.02 0.16 -0.58 5.19 6.17 -1.22 -1.85 115.15 124.03 1bhi h HIS 27 Ca 0.27 -0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.30 1bhi h HIS 27 Cb -0.11 -0.05 -0.03 0.00 2.52 0.00 0.00 27.41 29.75 1bhi h HIS 27 CO 0.00 0.32 0.23 0.87 0.71 0.00 0.00 177.93 180.06 1bhi h LYS 28 N -0.05 0.87 -0.82 5.26 1.57 -0.31 -2.17 116.57 120.92 1bhi h LYS 28 Ca 0.03 -0.16 0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1bhi h LYS 28 Cb 0.24 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 1bhi h LYS 28 CO 0.00 0.75 0.53 1.25 -0.57 0.00 0.00 179.45 181.41 1bhi h HIS 29 N 0.80 0.84 -0.03 -1.35 2.76 -0.82 0.18 115.15 117.53 1bhi h HIS 29 Ca 0.19 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.31 1bhi h HIS 29 Cb 0.21 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1bhi h HIS 29 CO 0.01 0.40 -0.33 -0.22 -1.30 0.00 0.00 177.93 176.49 1bhi h LYS 30 N 0.79 0.06 0.12 5.26 3.64 -0.70 -2.12 116.57 123.61 1bhi h LYS 30 Ca 0.37 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 1bhi h LYS 30 Cb 0.40 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1bhi h LYS 30 CO -0.15 0.39 -0.06 0.45 -2.27 0.00 0.00 179.45 177.82 1bhi h HIS 31 N 0.05 -0.14 -0.40 1.91 3.86 -0.60 -3.31 115.15 116.52 1bhi h HIS 31 Ca 0.00 -0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.84 1bhi h HIS 31 Cb 0.61 0.05 -0.09 0.00 1.06 0.00 0.00 27.41 29.04 1bhi h HIS 31 CO 0.00 0.11 0.51 0.39 0.86 0.00 0.00 177.93 179.81 1bhi n GLU 32 N -4.86 2.49 -2.34 2.45 4.71 0.42 -4.91 120.64 118.60 1bhi n GLU 32 Ca -0.04 -1.71 -0.26 0.00 -0.01 0.00 0.00 57.16 55.14 1bhi n GLU 32 Cb 0.16 -2.18 0.16 0.00 -1.01 0.00 0.00 31.44 28.57 1bhi n GLU 32 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bhi s MET 33 N 0.17 1.01 0.23 3.49 0.23 -0.80 -4.83 119.30 118.80 1bhi s MET 33 Ca 0.64 -0.96 0.00 0.00 -1.03 0.00 0.00 55.69 54.34 1bhi s MET 33 Cb 0.31 -2.11 0.00 0.00 -1.53 0.00 0.00 34.83 31.50 1bhi s MET 33 CO -0.08 -2.01 0.00 0.25 -2.03 0.00 0.00 175.02 171.15 1bhi n THR 34 N -3.31 0.31 -0.10 3.16 -2.24 -1.26 -4.95 114.28 105.89 1bhi n THR 34 Ca 0.17 0.10 -0.21 0.00 -2.27 0.00 0.00 64.05 61.85 1bhi n THR 34 Cb 0.60 -0.80 -0.12 0.00 -2.10 0.00 0.00 70.33 67.91 1bhi n THR 34 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bhi n LEU 35 N -3.43 2.72 0.00 3.22 7.94 -1.26 -5.08 117.00 121.10 1bhi n LEU 35 Ca 0.00 0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1bhi n LEU 35 Cb 0.01 -0.95 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1bhi n LEU 35 CO 0.00 0.84 0.00 2.29 -1.11 0.00 0.00 177.39 179.41 1bhi n LYS 36 N -3.49 0.00 0.00 1.96 2.85 -1.26 -4.96 118.16 113.26 1bhi n LYS 36 Ca -0.44 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.82 1bhi n LYS 36 Cb 0.98 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.36 1bhi n LYS 36 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1bhi n PHE 37 N -0.21 -2.00 -1.42 5.58 7.35 -1.26 -5.22 117.46 120.28 1bhi n PHE 37 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1bhi n PHE 37 Cb 0.00 0.43 0.00 0.00 0.35 0.00 0.00 39.48 40.26 1bhi n PHE 37 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41