#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 8.47 -3.28 7.83 3.41 -1.26 -4.64 113.62 124.14 1bhi n SER 2 Ca 0.00 -2.66 -0.08 0.00 -0.26 0.00 0.00 58.87 55.87 1bhi n SER 2 Cb 0.00 -1.52 -0.05 0.00 -0.26 0.00 0.00 64.21 62.39 1bhi n SER 2 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1bhi s ASP 3 N 1.87 -0.06 0.20 4.04 1.47 -1.26 -4.96 116.67 117.96 1bhi s ASP 3 Ca 0.67 -0.89 -0.08 0.00 1.18 0.00 0.00 52.55 53.43 1bhi s ASP 3 Cb 0.19 1.24 0.11 0.00 -0.34 0.00 0.00 42.92 44.12 1bhi s ASP 3 CO -0.06 -0.26 1.71 -0.78 0.68 0.00 0.00 175.17 176.45 1bhi h ASP 4 N 7.41 1.08 -3.22 2.11 3.58 -1.86 -3.36 116.42 122.17 1bhi h ASP 4 Ca 0.01 -0.24 -0.61 0.00 0.42 0.00 0.00 57.03 56.61 1bhi h ASP 4 Cb 1.12 -0.29 -0.40 0.00 1.72 0.00 0.00 39.33 41.48 1bhi h ASP 4 CO 0.18 1.05 -0.75 -0.54 -2.88 0.00 0.00 179.24 176.30 1bhi s LYS 5 N -5.28 1.46 -0.40 0.28 1.02 -1.26 -5.09 119.74 110.46 1bhi s LYS 5 Ca -0.12 -2.30 -0.29 0.00 0.02 0.00 0.00 55.97 53.29 1bhi s LYS 5 Cb 0.15 -2.39 0.01 0.00 -0.52 0.00 0.00 37.83 35.07 1bhi s LYS 5 CO 0.85 -1.23 1.46 -1.25 -0.92 0.00 0.00 175.35 174.26 1bhi s PRO 6 N -0.07 3.54 -0.46 -1.68 0.04 -1.26 -4.27 135.00 130.85 1bhi s PRO 6 Ca 0.22 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 1bhi s PRO 6 Cb -0.15 -4.05 0.09 0.00 0.04 0.00 0.00 34.50 30.43 1bhi s PRO 6 CO -0.07 -1.61 0.34 -0.06 0.04 0.00 0.00 177.00 175.64 1bhi s PHE 7 N 5.63 3.31 -0.37 0.56 0.08 -0.29 -4.95 117.98 121.95 1bhi s PHE 7 Ca 0.64 -1.33 -0.18 0.00 0.12 0.00 0.00 56.93 56.17 1bhi s PHE 7 Cb -0.15 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.13 1bhi s PHE 7 CO 0.33 -0.86 0.51 -1.17 -0.10 0.00 0.00 175.22 173.93 1bhi s LEU 8 N 1.51 4.44 -0.76 -0.37 0.20 -1.26 -1.87 118.68 120.56 1bhi s LEU 8 Ca 0.04 -0.16 -0.25 0.00 0.69 0.00 0.00 54.13 54.44 1bhi s LEU 8 Cb -0.24 -2.57 -0.04 0.00 -0.43 0.00 0.00 46.19 42.91 1bhi s LEU 8 CO 0.03 -0.52 1.97 0.00 -0.29 0.00 0.00 176.35 177.54 1bhi s THR 10 N 10.14 3.09 0.10 0.00 2.01 -1.26 -4.08 115.64 125.64 1bhi s THR 10 Ca 0.72 0.13 -0.25 0.00 0.31 0.00 0.00 61.69 62.59 1bhi s THR 10 Cb -0.10 -3.08 0.08 0.00 0.01 0.00 0.00 72.50 69.41 1bhi s THR 10 CO 0.09 -0.01 0.74 0.00 -0.69 0.00 0.00 174.62 174.75 1bhi s ALA 11 N 4.37 -1.66 0.00 7.40 0.00 -1.12 -5.03 121.76 125.72 1bhi s ALA 11 Ca 0.86 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1bhi s ALA 11 Cb -0.41 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1bhi s ALA 11 CO 0.40 -0.77 0.41 -0.35 0.00 0.00 0.00 175.76 175.45 1bhi n PRO 12 N -0.34 0.00 -0.70 0.00 -0.04 -1.26 -3.86 135.00 128.80 1bhi n PRO 12 Ca -0.12 0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.38 1bhi n PRO 12 Cb 0.63 -0.97 0.04 0.00 -0.04 0.00 0.00 33.50 33.16 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 0.46 3.52 3.63 0.55 0.00 -1.26 -4.79 105.19 107.31 1bhi n GLY 13 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 2.40 1.56 3.79 0.00 0.00 -1.26 -2.79 105.19 108.90 1bhi n GLY 15 Ca -0.13 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 0.03 4.32 0.08 1.61 1.11 -1.26 -4.74 119.66 120.81 1bhi s GLN 16 Ca 0.18 1.31 0.08 0.00 0.01 0.00 0.00 55.36 56.94 1bhi s GLN 16 Cb 0.42 -2.49 -0.03 0.00 -1.01 0.00 0.00 33.01 29.89 1bhi s GLN 16 CO -0.10 0.03 -0.20 0.50 0.01 0.00 0.00 175.29 175.53 1bhi s ARG 17 N -2.60 1.20 0.11 2.91 3.00 -1.26 -0.89 118.95 121.42 1bhi s ARG 17 Ca 0.57 -1.06 0.01 0.00 -1.00 0.00 0.00 55.73 54.24 1bhi s ARG 17 Cb -0.16 -1.40 -0.04 0.00 0.00 0.00 0.00 34.95 33.35 1bhi s ARG 17 CO 0.21 0.34 -0.02 -0.06 0.00 0.00 0.00 175.30 175.76 1bhi s PHE 18 N -1.02 0.85 -0.21 5.12 0.40 -0.78 -4.95 117.98 117.39 1bhi s PHE 18 Ca 0.06 -1.03 0.18 0.00 -0.60 0.00 0.00 56.93 55.54 1bhi s PHE 18 Cb -0.09 -0.51 0.06 0.00 0.51 0.00 0.00 43.02 42.98 1bhi s PHE 18 CO 0.03 -0.28 1.29 1.79 0.70 0.00 0.00 175.22 178.75 1bhi h THR 19 N 2.94 0.54 -3.97 0.64 1.35 -1.90 -0.75 112.91 111.77 1bhi h THR 19 Ca -0.35 -1.82 -0.69 0.00 -0.55 0.00 0.00 66.41 63.00 1bhi h THR 19 Cb 1.17 2.16 -0.22 0.00 -1.73 0.00 0.00 68.15 69.53 1bhi h THR 19 CO 0.64 0.31 -0.86 0.20 -0.25 0.00 0.00 175.52 175.56 1bhi s ASN 20 N -6.15 3.42 0.53 5.36 0.01 -1.26 -4.11 114.94 112.75 1bhi s ASN 20 Ca 0.03 -0.66 0.32 0.00 -0.71 0.00 0.00 52.86 51.84 1bhi s ASN 20 Cb 0.08 -0.32 1.22 0.00 0.41 0.00 0.00 41.25 42.63 1bhi s ASN 20 CO 0.75 0.20 1.93 1.05 -1.51 0.00 0.00 177.10 179.53 1bhi h GLU 21 N 4.11 0.00 -0.35 -0.60 9.09 -1.89 -3.01 114.58 121.94 1bhi h GLU 21 Ca -0.50 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.91 1bhi h GLU 21 Cb 1.16 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.25 1bhi h GLU 21 CO 0.42 0.02 0.20 0.22 0.05 0.00 0.00 179.01 179.91 1bhi h ASP 22 N 0.00 0.42 0.35 3.06 3.58 -1.99 0.76 116.42 122.60 1bhi h ASP 22 Ca -0.00 -0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.30 1bhi h ASP 22 Cb 0.59 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1bhi h ASP 22 CO 0.00 0.37 -0.38 0.45 -2.88 0.00 0.00 179.24 176.80 1bhi h HIS 23 N 0.44 0.05 -0.07 0.28 3.86 -1.96 -1.94 115.15 115.81 1bhi h HIS 23 Ca 0.12 -0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.16 1bhi h HIS 23 Cb 0.03 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1bhi h HIS 23 CO -0.03 0.41 -0.67 1.25 0.86 0.00 0.00 177.93 179.75 1bhi h LEU 24 N 0.04 0.33 0.65 2.43 5.85 -1.41 -2.26 115.31 120.94 1bhi h LEU 24 Ca 0.00 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1bhi h LEU 24 Cb 0.68 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.62 1bhi h LEU 24 CO 0.05 0.91 -0.31 0.00 -0.34 0.00 0.00 178.44 178.74 1bhi h ALA 25 N 1.09 -0.88 -0.85 1.25 0.00 -0.09 0.20 119.26 119.98 1bhi h ALA 25 Ca -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1bhi h ALA 25 Cb 1.21 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 1bhi h ALA 25 CO 0.11 -0.95 0.44 -0.39 0.00 0.00 0.00 179.25 178.46 1bhi h VAL 26 N -0.97 1.26 -0.44 0.00 -1.51 -1.54 0.14 116.25 113.19 1bhi h VAL 26 Ca -0.09 -0.67 -0.01 0.00 -1.23 0.00 0.00 66.70 64.69 1bhi h VAL 26 Cb 0.70 0.14 -0.02 0.00 -2.13 0.00 0.00 31.29 29.97 1bhi h VAL 26 CO 0.15 0.30 0.22 -0.74 -1.23 0.00 0.00 177.57 176.26 1bhi h HIS 27 N 1.20 0.62 -0.39 5.19 6.17 -1.32 -0.83 115.15 125.80 1bhi h HIS 27 Ca 0.30 -0.03 -0.12 0.00 0.71 0.00 0.00 60.37 61.23 1bhi h HIS 27 Cb 0.07 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 29.80 1bhi h HIS 27 CO 0.01 0.50 -0.23 -0.22 0.71 0.00 0.00 177.93 178.70 1bhi h LYS 28 N 0.57 0.84 -0.88 5.26 1.63 -0.25 -2.91 116.57 120.84 1bhi h LYS 28 Ca 0.15 -0.39 0.05 0.00 -0.85 0.00 0.00 60.65 59.62 1bhi h LYS 28 Cb 0.10 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.66 1bhi h LYS 28 CO -0.02 1.02 0.56 1.25 -3.45 0.00 0.00 179.45 178.81 1bhi h HIS 29 N 0.65 1.03 -0.94 1.91 2.76 -0.49 -0.63 115.15 119.45 1bhi h HIS 29 Ca 0.08 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1bhi h HIS 29 Cb 0.79 -0.34 -0.06 0.00 1.55 0.00 0.00 27.41 29.36 1bhi h HIS 29 CO 0.06 0.56 0.61 -0.22 -1.30 0.00 0.00 177.93 177.64 1bhi h LYS 30 N 1.04 1.14 -0.20 5.26 3.64 -0.99 -0.22 116.57 126.24 1bhi h LYS 30 Ca 0.37 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1bhi h LYS 30 Cb 0.10 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1bhi h LYS 30 CO -0.15 0.75 0.01 0.45 -2.27 0.00 0.00 179.45 178.24 1bhi h HIS 31 N 1.17 0.38 -0.82 1.91 3.86 -1.05 -2.92 115.15 117.69 1bhi h HIS 31 Ca 0.38 -0.06 0.10 0.00 -1.16 0.00 0.00 60.37 59.63 1bhi h HIS 31 Cb 0.02 -0.10 -0.08 0.00 1.06 0.00 0.00 27.41 28.32 1bhi h HIS 31 CO -0.01 0.53 0.45 0.93 0.86 0.00 0.00 177.93 180.69 1bhi h GLU 32 N 0.11 0.72 -5.89 2.45 3.07 -0.59 -3.34 114.58 111.12 1bhi h GLU 32 Ca 0.06 -0.04 -0.41 0.00 -0.50 0.00 0.00 59.36 58.46 1bhi h GLU 32 Cb 0.37 -0.16 -0.06 0.00 -0.84 0.00 0.00 28.75 28.06 1bhi h GLU 32 CO 0.01 0.48 1.03 -1.64 -1.40 0.00 0.00 179.01 177.49 1bhi s MET 33 N -6.02 2.83 -1.29 2.33 -1.94 -0.15 -4.87 119.30 110.19 1bhi s MET 33 Ca -0.12 -0.30 -0.13 0.00 -1.71 0.00 0.00 55.69 53.42 1bhi s MET 33 Cb 0.20 -4.94 -0.05 0.00 2.01 0.00 0.00 34.83 32.05 1bhi s MET 33 CO 0.78 -2.93 2.35 0.25 -0.01 0.00 0.00 175.02 175.46 1bhi n THR 34 N 7.44 3.21 -1.41 2.05 -2.24 -1.25 -4.13 114.28 117.95 1bhi n THR 34 Ca 0.32 -2.39 -0.11 0.00 -2.27 0.00 0.00 64.05 59.61 1bhi n THR 34 Cb 0.49 -2.49 -0.04 0.00 -2.10 0.00 0.00 70.33 66.19 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 5.42 -0.87 -3.55 3.22 7.94 -1.26 -4.96 117.00 122.95 1bhi n LEU 35 Ca 0.58 0.24 -0.06 0.00 -1.11 0.00 0.00 56.01 55.65 1bhi n LEU 35 Cb 0.31 -1.74 -0.02 0.00 0.53 0.00 0.00 43.42 42.50 1bhi n LEU 35 CO 0.89 -0.53 0.85 -1.59 -1.11 0.00 0.00 177.39 175.90 1bhi s LYS 36 N -3.09 0.56 0.24 1.96 -2.85 -1.26 -5.04 119.74 110.26 1bhi s LYS 36 Ca 0.00 -0.20 -0.07 0.00 -1.00 0.00 0.00 55.97 54.71 1bhi s LYS 36 Cb 0.00 0.26 0.23 0.00 -2.06 0.00 0.00 37.83 36.26 1bhi s LYS 36 CO 0.00 -0.24 1.91 0.74 0.10 0.00 0.00 175.35 177.86 1bhi h PHE 37 N 2.01 1.21 0.00 1.78 0.04 -1.92 -3.38 116.94 116.67 1bhi h PHE 37 Ca -0.16 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1bhi h PHE 37 Cb 1.20 -0.41 0.00 0.00 2.20 0.00 0.00 35.95 38.95 1bhi h PHE 37 CO 0.27 0.77 0.00 0.41 -0.60 0.00 0.00 178.31 179.16