#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 -3.98 6.12 2.88 -1.26 -4.90 113.62 112.48 1bhi n SER 2 Ca 0.00 0.10 -0.26 0.00 -1.33 0.00 0.00 58.87 57.38 1bhi n SER 2 Cb 0.00 -0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 63.36 1bhi n SER 2 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1bhi n ASP 3 N -0.59 0.42 -1.06 -3.46 5.75 -1.26 -4.89 116.55 111.47 1bhi n ASP 3 Ca 0.00 -1.04 -0.00 0.00 -0.01 0.00 0.00 54.79 53.73 1bhi n ASP 3 Cb 0.00 -1.29 -0.00 0.00 -1.03 0.00 0.00 41.12 38.80 1bhi n ASP 3 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1bhi n ASP 4 N -2.23 -0.02 -1.42 -1.12 5.75 -1.26 -5.11 116.55 111.14 1bhi n ASP 4 Ca -0.25 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 1bhi n ASP 4 Cb 0.56 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1bhi n ASP 4 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1bhi n LYS 5 N -0.02 -2.81 -0.42 0.11 4.81 -1.26 -5.02 118.16 113.55 1bhi n LYS 5 Ca 0.00 2.25 -0.18 0.00 -0.87 0.00 0.00 58.31 59.51 1bhi n LYS 5 Cb 0.02 -2.33 0.16 0.00 0.02 0.00 0.00 35.03 32.89 1bhi n LYS 5 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1bhi n PRO 6 N 0.96 -2.92 -1.94 1.64 -0.04 -1.26 -4.81 135.00 126.63 1bhi n PRO 6 Ca 0.00 -0.98 -0.40 0.00 -0.04 0.00 0.00 63.50 62.08 1bhi n PRO 6 Cb 0.00 -1.05 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1bhi n PRO 6 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1bhi n PHE 7 N -4.26 3.45 -3.57 0.54 3.72 -1.24 -4.90 117.46 111.19 1bhi n PHE 7 Ca 0.09 -2.48 -0.39 0.00 -0.05 0.00 0.00 57.45 54.62 1bhi n PHE 7 Cb 0.36 -2.43 -0.11 0.00 -0.94 0.00 0.00 39.48 36.36 1bhi n PHE 7 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1bhi s LEU 8 N 4.02 4.30 -1.00 4.37 0.20 -1.26 -1.47 118.68 127.84 1bhi s LEU 8 Ca 0.55 -0.36 -0.23 0.00 0.69 0.00 0.00 54.13 54.77 1bhi s LEU 8 Cb 0.09 -2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 43.72 1bhi s LEU 8 CO 0.04 -0.18 1.84 0.00 -0.29 0.00 0.00 176.35 177.75 1bhi n THR 10 N 7.59 0.66 -3.73 0.00 -1.04 -1.26 -4.05 114.28 112.45 1bhi n THR 10 Ca 0.40 -0.15 -0.09 0.00 -2.04 0.00 0.00 64.05 62.17 1bhi n THR 10 Cb 0.48 -2.15 -0.03 0.00 -1.82 0.00 0.00 70.33 66.80 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 4.66 -1.07 0.00 2.41 0.00 -0.99 -5.02 121.76 121.75 1bhi s ALA 11 Ca 0.92 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1bhi s ALA 11 Cb -0.54 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1bhi s ALA 11 CO 0.46 -0.85 0.44 -0.35 0.00 0.00 0.00 175.76 175.45 1bhi n PRO 12 N -0.38 0.00 -0.81 0.00 -0.04 -1.26 -3.93 135.00 128.58 1bhi n PRO 12 Ca -0.09 0.19 -0.16 0.00 -0.04 0.00 0.00 63.50 63.40 1bhi n PRO 12 Cb 0.62 -1.01 0.08 0.00 -0.04 0.00 0.00 33.50 33.15 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 0.40 3.83 3.63 0.55 0.00 -1.26 -4.83 105.19 107.52 1bhi n GLY 13 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 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 2.35 0.12 3.86 0.00 0.00 -1.26 -2.34 105.19 107.92 1bhi n GLY 15 Ca -0.13 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 0.43 3.90 0.07 1.61 -1.52 -1.26 -4.79 119.66 118.10 1bhi s GLN 16 Ca 0.26 0.69 0.09 0.00 -1.95 0.00 0.00 55.36 54.46 1bhi s GLN 16 Cb 0.26 -2.31 -0.03 0.00 -0.22 0.00 0.00 33.01 30.71 1bhi s GLN 16 CO -0.14 -0.08 -0.25 0.50 -0.25 0.00 0.00 175.29 175.07 1bhi s ARG 17 N -3.73 1.57 0.18 2.91 3.00 -1.26 -0.67 118.95 120.95 1bhi s ARG 17 Ca 0.55 -1.16 -0.01 0.00 -1.00 0.00 0.00 55.73 54.12 1bhi s ARG 17 Cb -0.10 -1.84 -0.04 0.00 0.00 0.00 0.00 34.95 32.97 1bhi s ARG 17 CO 0.28 0.46 0.09 -0.06 0.00 0.00 0.00 175.30 176.07 1bhi s PHE 18 N -0.90 1.10 -0.20 5.12 0.40 -0.54 -5.00 117.98 117.96 1bhi s PHE 18 Ca 0.11 -1.28 0.20 0.00 -0.60 0.00 0.00 56.93 55.37 1bhi s PHE 18 Cb -0.10 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.81 1bhi s PHE 18 CO 0.03 -0.54 0.98 1.15 0.70 0.00 0.00 175.22 177.55 1bhi h THR 19 N 2.69 0.18 -3.72 0.64 2.02 -2.01 -3.30 112.91 109.40 1bhi h THR 19 Ca -0.36 -1.35 -0.30 0.00 0.77 0.00 0.00 66.41 65.17 1bhi h THR 19 Cb 1.23 1.70 -0.15 0.00 -1.74 0.00 0.00 68.15 69.19 1bhi h THR 19 CO 0.57 0.10 -0.66 0.20 0.37 0.00 0.00 175.52 176.10 1bhi s ASN 20 N -5.53 1.28 0.45 4.18 0.01 -1.26 -4.93 114.94 109.14 1bhi s ASN 20 Ca -0.01 -1.19 0.25 0.00 -0.71 0.00 0.00 52.86 51.20 1bhi s ASN 20 Cb 0.09 0.11 0.88 0.00 0.41 0.00 0.00 41.25 42.74 1bhi s ASN 20 CO 0.80 -0.57 1.80 -0.08 -1.51 0.00 0.00 177.10 177.54 1bhi h GLU 21 N 2.65 0.00 -0.07 -0.60 4.57 -1.97 -3.24 114.58 115.93 1bhi h GLU 21 Ca -0.37 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 57.84 1bhi h GLU 21 Cb 1.21 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.76 1bhi h GLU 21 CO 0.63 0.17 -0.14 0.22 -1.18 0.00 0.00 179.01 178.71 1bhi h ASP 22 N 0.00 -0.43 0.06 1.04 3.58 -1.99 0.31 116.42 118.99 1bhi h ASP 22 Ca -0.00 0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.41 1bhi h ASP 22 Cb 0.78 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 1bhi h ASP 22 CO 0.02 -0.19 -0.37 0.45 -2.88 0.00 0.00 179.24 176.27 1bhi h HIS 23 N -0.21 0.48 -0.12 0.28 -0.00 -2.00 -2.48 115.15 111.11 1bhi h HIS 23 Ca 0.07 -0.13 -0.10 0.00 -0.00 0.00 0.00 60.37 60.22 1bhi h HIS 23 Cb 0.30 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1bhi h HIS 23 CO -0.23 0.73 -0.37 1.25 -0.00 0.00 0.00 177.93 179.31 1bhi h LEU 24 N 0.35 0.25 0.75 2.43 5.85 -1.43 -2.05 115.31 121.46 1bhi h LEU 24 Ca 0.04 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1bhi h LEU 24 Cb 0.81 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.78 1bhi h LEU 24 CO 0.07 0.61 -0.36 0.00 -0.34 0.00 0.00 178.44 178.41 1bhi h ALA 25 N 1.41 -1.00 -0.82 1.25 0.00 0.05 0.20 119.26 120.34 1bhi h ALA 25 Ca 0.02 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1bhi h ALA 25 Cb 0.75 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1bhi h ALA 25 CO 0.06 -0.96 0.54 -0.39 0.00 0.00 0.00 179.25 178.50 1bhi h VAL 26 N -1.21 1.19 -0.19 0.00 -1.51 -1.54 0.13 116.25 113.11 1bhi h VAL 26 Ca -0.10 -0.37 -0.01 0.00 -1.23 0.00 0.00 66.70 64.98 1bhi h VAL 26 Cb 0.78 0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.95 1bhi h VAL 26 CO 0.17 0.20 0.06 -0.74 -1.23 0.00 0.00 177.57 176.03 1bhi h HIS 27 N 1.08 0.30 -0.65 5.19 6.17 -1.32 -2.71 115.15 123.22 1bhi h HIS 27 Ca 0.31 -0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.30 1bhi h HIS 27 Cb -0.08 -0.09 -0.03 0.00 2.52 0.00 0.00 27.41 29.74 1bhi h HIS 27 CO -0.00 0.38 0.15 -0.22 0.71 0.00 0.00 177.93 178.95 1bhi h LYS 28 N 0.14 1.02 -0.98 5.26 1.63 -0.01 -2.53 116.57 121.10 1bhi h LYS 28 Ca 0.06 -0.23 0.10 0.00 -0.85 0.00 0.00 60.65 59.73 1bhi h LYS 28 Cb 0.22 -0.14 -0.08 0.00 -0.60 0.00 0.00 32.23 31.63 1bhi h LYS 28 CO -0.00 0.91 0.63 1.25 -3.45 0.00 0.00 179.45 178.78 1bhi h HIS 29 N 0.97 1.12 -0.78 1.91 2.76 -0.57 -0.73 115.15 119.84 1bhi h HIS 29 Ca 0.21 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 1bhi h HIS 29 Cb 0.35 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 1bhi h HIS 29 CO 0.02 0.49 0.31 -0.22 -1.30 0.00 0.00 177.93 177.24 1bhi h LYS 30 N 1.02 1.16 -0.43 5.26 1.63 -1.14 0.25 116.57 124.32 1bhi h LYS 30 Ca 0.46 -0.21 -0.07 0.00 -0.85 0.00 0.00 60.65 59.99 1bhi h LYS 30 Cb 0.40 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 1bhi h LYS 30 CO -0.22 0.94 0.01 0.45 -3.45 0.00 0.00 179.45 177.18 1bhi h HIS 31 N 1.13 0.81 -0.46 1.91 3.86 -1.11 -3.00 115.15 118.30 1bhi h HIS 31 Ca 0.26 -0.14 -0.12 0.00 -1.16 0.00 0.00 60.37 59.21 1bhi h HIS 31 Cb 0.21 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1bhi h HIS 31 CO 0.02 0.80 -0.20 0.93 0.86 0.00 0.00 177.93 180.35 1bhi h GLU 32 N 0.59 0.91 -6.41 2.45 5.08 -0.93 -3.44 114.58 112.83 1bhi h GLU 32 Ca 0.12 -0.37 -0.59 0.00 -1.00 0.00 0.00 59.36 57.53 1bhi h GLU 32 Cb 0.47 -0.04 0.04 0.00 0.50 0.00 0.00 28.75 29.72 1bhi h GLU 32 CO 0.02 1.02 0.95 -0.12 -1.00 0.00 0.00 179.01 179.88 1bhi n MET 33 N -4.12 2.22 0.05 2.33 1.56 0.84 -4.88 117.12 115.11 1bhi n MET 33 Ca 0.00 0.81 -0.10 0.00 -0.27 0.00 0.00 57.70 58.14 1bhi n MET 33 Cb 0.44 -2.62 0.02 0.00 2.15 0.00 0.00 33.22 33.21 1bhi n MET 33 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 1bhi h THR 34 N 4.46 1.37 -0.29 1.12 1.35 -1.85 -3.35 112.91 115.73 1bhi h THR 34 Ca -0.47 -2.14 -0.71 0.00 -0.55 0.00 0.00 66.41 62.54 1bhi h THR 34 Cb 1.26 2.11 -0.06 0.00 -1.73 0.00 0.00 68.15 69.74 1bhi h THR 34 CO 0.92 0.65 2.86 0.18 -0.25 0.00 0.00 175.52 179.88 1bhi n LEU 35 N -3.84 6.48 -0.32 3.87 4.32 -1.26 -4.75 117.00 121.49 1bhi n LEU 35 Ca -0.05 -4.14 0.11 0.00 -0.02 0.00 0.00 56.01 51.91 1bhi n LEU 35 Cb 0.71 -1.66 0.28 0.00 -1.62 0.00 0.00 43.42 41.14 1bhi n LEU 35 CO 0.48 0.95 1.14 0.11 -1.22 0.00 0.00 177.39 178.85 1bhi h LYS 36 N 6.28 0.64 -3.59 3.23 6.56 -1.89 -2.82 116.57 124.97 1bhi h LYS 36 Ca 0.53 -0.04 -0.68 0.00 -1.06 0.00 0.00 60.65 59.41 1bhi h LYS 36 Cb 0.68 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 1bhi h LYS 36 CO 1.78 0.42 3.38 0.34 -2.06 0.00 0.00 179.45 183.31 1bhi n PHE 37 N -4.85 2.92 -0.03 -1.35 7.35 -1.26 -5.13 117.46 115.11 1bhi n PHE 37 Ca 0.21 -2.93 0.00 0.00 -0.76 0.00 0.00 57.45 53.97 1bhi n PHE 37 Cb 0.54 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 37.91 1bhi n PHE 37 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41