#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhi h SER 2 N 0.00 0.28 -3.91 7.83 0.87 -2.04 -3.42 113.55 113.16 1bhi h SER 2 Ca 0.00 -0.05 -0.46 0.00 -1.23 0.00 0.00 61.79 60.05 1bhi h SER 2 Cb 0.00 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1bhi h SER 2 CO 0.00 0.39 0.32 1.51 -0.53 0.00 0.00 176.83 178.52 1bhi s ASP 3 N -6.85 7.18 -0.00 6.23 -4.77 -1.26 -5.03 116.67 112.17 1bhi s ASP 3 Ca -0.06 1.74 -0.00 0.00 -3.30 0.00 0.00 52.55 50.93 1bhi s ASP 3 Cb 0.16 -2.55 -0.00 0.00 -1.09 0.00 0.00 42.92 39.44 1bhi s ASP 3 CO 0.73 -0.15 0.48 -0.78 0.70 0.00 0.00 175.17 176.15 1bhi h ASP 4 N 2.77 -0.01 -3.50 2.11 3.58 -1.98 -3.43 116.42 115.96 1bhi h ASP 4 Ca -0.48 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.36 1bhi h ASP 4 Cb 1.19 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.12 1bhi h ASP 4 CO 0.64 -0.00 0.22 -0.75 -2.88 0.00 0.00 179.24 176.46 1bhi s LYS 5 N -1.97 3.92 -0.23 0.28 2.36 -1.26 -4.70 119.74 118.14 1bhi s LYS 5 Ca -0.00 0.38 -0.29 0.00 -2.55 0.00 0.00 55.97 53.51 1bhi s LYS 5 Cb 0.00 -3.73 -0.03 0.00 -1.05 0.00 0.00 37.83 33.03 1bhi s LYS 5 CO 0.00 -0.60 1.66 -1.25 1.55 0.00 0.00 175.35 176.72 1bhi s PRO 6 N 2.70 3.73 -1.41 4.03 0.04 -1.26 -4.90 135.00 137.92 1bhi s PRO 6 Ca 0.27 1.66 -0.10 0.00 0.04 0.00 0.00 61.00 62.88 1bhi s PRO 6 Cb -0.15 -4.07 0.07 0.00 0.04 0.00 0.00 34.50 30.40 1bhi s PRO 6 CO 0.12 -1.38 2.30 1.19 0.04 0.00 0.00 177.00 179.27 1bhi n PHE 7 N 8.75 2.92 -2.95 0.56 3.01 -1.25 -4.93 117.46 123.57 1bhi n PHE 7 Ca 0.20 -2.91 -0.42 0.00 1.01 0.00 0.00 57.45 55.33 1bhi n PHE 7 Cb 0.45 -2.20 -0.05 0.00 -0.01 0.00 0.00 39.48 37.68 1bhi n PHE 7 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1bhi s LEU 8 N 0.12 4.08 0.25 4.37 2.01 -1.26 -2.02 118.68 126.23 1bhi s LEU 8 Ca 0.51 0.71 -0.04 0.00 0.01 0.00 0.00 54.13 55.31 1bhi s LEU 8 Cb 0.14 -3.08 0.36 0.00 0.01 0.00 0.00 46.19 43.62 1bhi s LEU 8 CO -0.05 -0.59 1.86 0.00 1.01 0.00 0.00 176.35 178.58 1bhi n THR 10 N -4.57 -6.54 -2.54 0.00 -1.04 -1.26 -5.00 114.28 93.32 1bhi n THR 10 Ca 0.13 -1.00 -0.23 0.00 -2.04 0.00 0.00 64.05 60.91 1bhi n THR 10 Cb 0.18 -4.84 0.08 0.00 -1.82 0.00 0.00 70.33 63.93 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 -3.48 3.67 0.08 2.41 0.00 0.85 -5.01 121.76 120.28 1bhi s ALA 11 Ca 0.40 -1.49 -0.33 0.00 0.00 0.00 0.00 51.96 50.54 1bhi s ALA 11 Cb -0.11 -2.12 -0.17 0.00 0.00 0.00 0.00 23.12 20.72 1bhi s ALA 11 CO 0.82 -1.23 1.61 -1.35 0.00 0.00 0.00 175.76 175.61 1bhi h PRO 12 N -0.36 -0.87 0.00 0.00 0.11 -2.04 -3.36 132.00 125.47 1bhi h PRO 12 Ca -0.39 0.06 -0.31 0.00 0.11 0.00 0.00 66.00 65.47 1bhi h PRO 12 Cb 1.28 0.20 -0.06 0.00 0.11 0.00 0.00 31.00 32.53 1bhi h PRO 12 CO 0.46 -0.58 -2.16 0.41 -0.21 0.00 0.00 178.00 175.92 1bhi n GLY 13 N -1.50 -0.64 3.87 -0.55 0.00 -1.26 -4.99 105.19 100.12 1bhi n GLY 13 Ca -0.12 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 0.44 1.41 3.87 0.00 0.00 -1.26 -0.10 105.19 109.55 1bhi n GLY 15 Ca -0.04 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.53 3.06 0.05 1.61 1.11 -1.26 -4.77 119.66 118.93 1bhi s GLN 16 Ca 0.26 0.59 0.08 0.00 0.01 0.00 0.00 55.36 56.30 1bhi s GLN 16 Cb 0.34 -2.03 -0.03 0.00 -1.01 0.00 0.00 33.01 30.28 1bhi s GLN 16 CO -0.06 -0.92 -0.22 0.50 0.01 0.00 0.00 175.29 174.60 1bhi s ARG 17 N -5.27 1.48 0.23 2.91 3.00 -1.26 -1.26 118.95 118.78 1bhi s ARG 17 Ca 0.57 -1.00 0.05 0.00 -1.00 0.00 0.00 55.73 54.35 1bhi s ARG 17 Cb -0.11 -1.63 -0.02 0.00 0.00 0.00 0.00 34.95 33.19 1bhi s ARG 17 CO 0.53 0.42 0.17 1.19 0.00 0.00 0.00 175.30 177.60 1bhi n PHE 18 N 1.79 -0.40 0.20 5.12 3.01 -0.86 -5.02 117.46 121.30 1bhi n PHE 18 Ca -0.17 -1.80 0.02 0.00 1.01 0.00 0.00 57.45 56.51 1bhi n PHE 18 Cb 0.53 0.15 0.01 0.00 -0.01 0.00 0.00 39.48 40.16 1bhi n PHE 18 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1bhi n THR 19 N -0.45 0.00 -3.84 4.37 -1.04 -1.26 -3.86 114.28 108.20 1bhi n THR 19 Ca 0.03 -0.47 -0.12 0.00 -2.04 0.00 0.00 64.05 61.45 1bhi n THR 19 Cb 0.39 1.08 -0.09 0.00 -1.82 0.00 0.00 70.33 69.89 1bhi n THR 19 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1bhi s ASN 20 N -0.67 -0.03 0.40 8.00 -0.87 -1.26 -4.99 114.94 115.53 1bhi s ASN 20 Ca 0.05 -0.15 0.16 0.00 -1.57 0.00 0.00 52.86 51.35 1bhi s ASN 20 Cb 0.04 0.24 0.85 0.00 -0.02 0.00 0.00 41.25 42.36 1bhi s ASN 20 CO 0.09 -0.40 1.86 -0.08 -2.57 0.00 0.00 177.10 176.00 1bhi h GLU 21 N 4.11 0.00 -0.39 -0.60 4.57 -1.97 -2.87 114.58 117.43 1bhi h GLU 21 Ca -0.31 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.89 1bhi h GLU 21 Cb 1.19 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 1bhi h GLU 21 CO 0.41 0.32 0.22 0.22 -1.18 0.00 0.00 179.01 179.00 1bhi h ASP 22 N 0.00 0.35 0.34 1.04 3.58 -1.99 0.23 116.42 119.97 1bhi h ASP 22 Ca -0.00 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1bhi h ASP 22 Cb 0.62 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 1bhi h ASP 22 CO 0.04 0.26 -0.43 0.45 -2.88 0.00 0.00 179.24 176.68 1bhi h HIS 23 N 0.45 0.14 -0.02 0.28 3.86 -1.94 -2.08 115.15 115.84 1bhi h HIS 23 Ca 0.15 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.20 1bhi h HIS 23 Cb 0.02 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 1bhi h HIS 23 CO -0.08 0.53 -0.60 1.25 0.86 0.00 0.00 177.93 179.89 1bhi h LEU 24 N 0.10 0.08 0.55 2.43 5.85 -1.14 -2.48 115.31 120.70 1bhi h LEU 24 Ca 0.01 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1bhi h LEU 24 Cb 0.80 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.81 1bhi h LEU 24 CO 0.06 0.66 -0.26 0.00 -0.34 0.00 0.00 178.44 178.56 1bhi h ALA 25 N 1.34 -0.74 -0.32 1.25 0.00 0.11 0.14 119.26 121.05 1bhi h ALA 25 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bhi h ALA 25 Cb 1.08 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1bhi h ALA 25 CO 0.08 -0.75 0.20 -0.39 0.00 0.00 0.00 179.25 178.39 1bhi h VAL 26 N -1.06 1.09 -0.06 0.00 -1.51 -1.54 0.10 116.25 113.27 1bhi h VAL 26 Ca -0.08 -0.17 -0.02 0.00 -1.23 0.00 0.00 66.70 65.21 1bhi h VAL 26 Cb 0.63 0.63 -0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1bhi h VAL 26 CO 0.12 0.08 -0.03 -0.74 -1.23 0.00 0.00 177.57 175.78 1bhi h HIS 27 N 0.43 0.14 -0.61 5.19 6.17 -1.38 -2.85 115.15 122.24 1bhi h HIS 27 Ca 0.12 -0.04 0.03 0.00 0.71 0.00 0.00 60.37 61.19 1bhi h HIS 27 Cb -0.04 -0.03 -0.04 0.00 2.52 0.00 0.00 27.41 29.82 1bhi h HIS 27 CO 0.00 0.50 0.37 0.87 0.71 0.00 0.00 177.93 180.38 1bhi h LYS 28 N -0.26 0.70 -0.60 5.26 1.79 -0.06 -2.70 116.57 120.70 1bhi h LYS 28 Ca 0.01 -0.04 0.11 0.00 -2.18 0.00 0.00 60.65 58.55 1bhi h LYS 28 Cb 0.47 -0.16 -0.08 0.00 -1.58 0.00 0.00 32.23 30.87 1bhi h LYS 28 CO 0.01 0.47 0.15 1.25 -1.08 0.00 0.00 179.45 180.24 1bhi h HIS 29 N 0.73 0.24 0.00 -1.35 2.76 -0.76 0.98 115.15 117.74 1bhi h HIS 29 Ca 0.25 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 1bhi h HIS 29 Cb 0.04 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 1bhi h HIS 29 CO -0.06 -0.01 -0.07 0.87 -1.30 0.00 0.00 177.93 177.36 1bhi h LYS 30 N 0.28 0.00 0.02 5.26 1.57 -1.24 0.32 116.57 122.78 1bhi h LYS 30 Ca 0.31 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1bhi h LYS 30 Cb 0.45 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.77 1bhi h LYS 30 CO -0.38 0.07 -0.26 0.45 -0.57 0.00 0.00 179.45 178.75 1bhi h HIS 31 N 0.00 0.23 0.00 -1.35 3.86 -0.82 -3.30 115.15 113.78 1bhi h HIS 31 Ca -0.00 -0.14 -0.07 0.00 -1.16 0.00 0.00 60.37 59.00 1bhi h HIS 31 Cb 0.13 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1bhi h HIS 31 CO 0.00 1.00 -0.32 0.93 0.86 0.00 0.00 177.93 180.39 1bhi h GLU 32 N -0.60 0.00 -5.82 2.45 5.08 -0.64 -3.41 114.58 111.63 1bhi h GLU 32 Ca -0.04 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.84 1bhi h GLU 32 Cb 1.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1bhi h GLU 32 CO 0.05 0.32 1.47 1.41 -1.00 0.00 0.00 179.01 181.27 1bhi s MET 33 N -4.10 2.40 0.42 2.33 1.75 0.11 -4.80 119.30 117.41 1bhi s MET 33 Ca -0.02 0.95 0.29 0.00 -1.25 0.00 0.00 55.69 55.66 1bhi s MET 33 Cb 0.14 -4.47 1.21 0.00 2.84 0.00 0.00 34.83 34.55 1bhi s MET 33 CO 0.69 -2.97 1.87 1.79 -0.65 0.00 0.00 175.02 175.75 1bhi h THR 34 N 7.23 0.00 -0.25 10.11 1.35 -1.88 -3.30 112.91 126.18 1bhi h THR 34 Ca -0.25 -0.38 -0.51 0.00 -0.55 0.00 0.00 66.41 64.72 1bhi h THR 34 Cb 1.21 1.25 -0.04 0.00 -1.73 0.00 0.00 68.15 68.84 1bhi h THR 34 CO 1.19 0.00 1.99 0.18 -0.25 0.00 0.00 175.52 178.63 1bhi n LEU 35 N -2.70 7.34 -0.01 3.87 4.32 -1.26 -4.47 117.00 124.08 1bhi n LEU 35 Ca 0.01 -4.03 -0.17 0.00 -0.02 0.00 0.00 56.01 51.80 1bhi n LEU 35 Cb 0.27 -1.46 -0.10 0.00 -1.62 0.00 0.00 43.42 40.51 1bhi n LEU 35 CO 0.24 1.92 0.30 0.11 -1.22 0.00 0.00 177.39 178.74 1bhi h LYS 36 N 4.12 0.49 0.00 3.23 1.57 -1.94 -3.46 116.57 120.58 1bhi h LYS 36 Ca 0.59 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1bhi h LYS 36 Cb 0.72 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1bhi h LYS 36 CO 1.16 1.09 0.00 0.34 -0.57 0.00 0.00 179.45 181.48 1bhi n PHE 37 N -4.20 -3.19 -0.30 -1.35 7.35 -1.26 -5.24 117.46 109.28 1bhi n PHE 37 Ca -0.09 0.61 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 1bhi n PHE 37 Cb 0.65 1.80 0.00 0.00 0.35 0.00 0.00 39.48 42.28 1bhi n PHE 37 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41