#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 0.85 -2.52 6.12 0.02 -2.13 -3.43 113.55 112.46 1bhi h SER 2 Ca 0.00 -0.13 -0.57 0.00 -0.84 0.00 0.00 61.79 60.25 1bhi h SER 2 Cb 0.00 -0.22 -0.14 0.00 0.14 0.00 0.00 62.40 62.18 1bhi h SER 2 CO 0.00 0.78 -0.75 -0.62 -1.14 0.00 0.00 176.83 175.10 1bhi s ASP 3 N -6.51 3.30 0.00 3.07 2.15 -1.26 -5.06 116.67 112.36 1bhi s ASP 3 Ca -0.10 -1.02 0.25 0.00 0.43 0.00 0.00 52.55 52.11 1bhi s ASP 3 Cb 0.16 -0.25 0.42 0.00 -0.30 0.00 0.00 42.92 42.94 1bhi s ASP 3 CO 0.81 -0.01 1.16 -0.90 -0.17 0.00 0.00 175.17 176.05 1bhi n ASP 4 N -0.52 0.95 -3.47 -0.34 5.68 -1.26 -5.04 116.55 112.55 1bhi n ASP 4 Ca -0.06 -2.00 -0.16 0.00 -0.50 0.00 0.00 54.79 52.07 1bhi n ASP 4 Cb 0.60 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1bhi n ASP 4 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1bhi n LYS 5 N 0.48 -1.52 -1.68 0.11 4.81 -1.26 -4.77 118.16 114.33 1bhi n LYS 5 Ca 0.05 1.12 -0.50 0.00 -0.87 0.00 0.00 58.31 58.12 1bhi n LYS 5 Cb 1.14 -3.67 -0.05 0.00 0.02 0.00 0.00 35.03 32.47 1bhi n LYS 5 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1bhi n PRO 6 N -2.07 1.88 -1.76 1.64 -0.02 -1.26 -4.84 135.00 128.57 1bhi n PRO 6 Ca -0.17 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1bhi n PRO 6 Cb 0.61 -2.47 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1bhi n PRO 6 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1bhi n PHE 7 N 5.60 3.38 -2.25 6.00 3.01 -1.25 -4.93 117.46 127.02 1bhi n PHE 7 Ca 0.22 -2.97 -0.43 0.00 1.01 0.00 0.00 57.45 55.29 1bhi n PHE 7 Cb 0.25 -2.48 -0.02 0.00 -0.01 0.00 0.00 39.48 37.21 1bhi n PHE 7 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1bhi s LEU 8 N 1.76 3.76 0.27 4.37 1.98 -1.26 -3.50 118.68 126.06 1bhi s LEU 8 Ca 0.48 1.26 -0.30 0.00 -2.89 0.00 0.00 54.13 52.68 1bhi s LEU 8 Cb 0.14 -3.54 -0.10 0.00 0.66 0.00 0.00 46.19 43.35 1bhi s LEU 8 CO -0.08 -1.30 1.46 0.00 -1.89 0.00 0.00 176.35 174.54 1bhi s THR 10 N -0.12 4.54 0.04 0.00 -4.23 -1.26 -4.49 115.64 110.13 1bhi s THR 10 Ca 0.59 -1.09 -0.08 0.00 -1.18 0.00 0.00 61.69 59.93 1bhi s THR 10 Cb -0.43 -4.75 -0.00 0.00 1.34 0.00 0.00 72.50 68.66 1bhi s THR 10 CO 0.45 -1.50 0.17 0.00 -0.54 0.00 0.00 174.62 173.19 1bhi s ALA 11 N 3.29 -0.26 0.00 3.99 0.00 -1.21 -5.08 121.76 122.48 1bhi s ALA 11 Ca 0.29 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1bhi s ALA 11 Cb -0.09 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1bhi s ALA 11 CO -0.02 -0.36 0.51 -0.35 0.00 0.00 0.00 175.76 175.54 1bhi n PRO 12 N 0.65 0.00 -0.51 0.00 -0.04 -1.26 -3.85 135.00 129.99 1bhi n PRO 12 Ca -0.19 0.30 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1bhi n PRO 12 Cb 0.59 -1.12 0.07 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.30 3.04 3.62 0.55 0.00 -1.26 -4.81 105.19 106.63 1bhi n GLY 13 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 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 2.43 1.93 3.83 0.00 0.00 -1.26 -3.36 105.19 108.77 1bhi n GLY 15 Ca -0.14 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.98 3.23 0.12 1.61 -1.52 -1.26 -4.66 119.66 116.19 1bhi s GLN 16 Ca 0.30 0.97 0.11 0.00 -1.95 0.00 0.00 55.36 54.78 1bhi s GLN 16 Cb 0.32 -2.03 -0.04 0.00 -0.22 0.00 0.00 33.01 31.05 1bhi s GLN 16 CO -0.06 -0.87 -0.27 0.50 -0.25 0.00 0.00 175.29 174.34 1bhi s ARG 17 N -4.79 1.42 0.15 2.91 3.00 -1.26 -0.96 118.95 119.43 1bhi s ARG 17 Ca 0.59 -1.31 -0.05 0.00 -1.00 0.00 0.00 55.73 53.95 1bhi s ARG 17 Cb -0.13 -1.87 -0.02 0.00 0.00 0.00 0.00 34.95 32.92 1bhi s ARG 17 CO 0.49 0.45 0.18 -0.06 0.00 0.00 0.00 175.30 176.35 1bhi s PHE 18 N -1.04 0.66 -0.07 5.12 0.40 -1.23 -4.98 117.98 116.84 1bhi s PHE 18 Ca 0.13 -1.02 0.12 0.00 -0.60 0.00 0.00 56.93 55.57 1bhi s PHE 18 Cb -0.10 -0.28 -0.03 0.00 0.51 0.00 0.00 43.02 43.13 1bhi s PHE 18 CO 0.06 -0.63 1.38 1.79 0.70 0.00 0.00 175.22 178.51 1bhi h THR 19 N 2.68 1.13 -3.82 0.64 1.35 -1.97 -3.32 112.91 109.60 1bhi h THR 19 Ca -0.33 -2.61 -0.34 0.00 -0.55 0.00 0.00 66.41 62.58 1bhi h THR 19 Cb 1.22 2.56 -0.19 0.00 -1.73 0.00 0.00 68.15 70.00 1bhi h THR 19 CO 0.53 0.65 -0.74 0.20 -0.25 0.00 0.00 175.52 175.90 1bhi s ASN 20 N -6.53 1.42 0.44 5.36 -0.87 -1.26 -5.00 114.94 108.51 1bhi s ASN 20 Ca 0.03 -0.72 0.24 0.00 -1.57 0.00 0.00 52.86 50.84 1bhi s ASN 20 Cb 0.08 -0.00 0.98 0.00 -0.02 0.00 0.00 41.25 42.29 1bhi s ASN 20 CO 0.77 -0.20 1.86 1.05 -2.57 0.00 0.00 177.10 178.01 1bhi h GLU 21 N 3.91 0.00 -0.70 -0.60 4.11 -1.97 -2.76 114.58 116.56 1bhi h GLU 21 Ca -0.38 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.10 1bhi h GLU 21 Cb 1.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 1bhi h GLU 21 CO 0.47 0.23 0.41 -0.44 0.07 0.00 0.00 179.01 179.76 1bhi h ASP 22 N 0.00 0.64 0.33 3.06 5.19 -1.99 0.31 116.42 123.96 1bhi h ASP 22 Ca -0.00 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.32 1bhi h ASP 22 Cb 0.69 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 1bhi h ASP 22 CO 0.03 0.42 -0.44 0.45 -3.12 0.00 0.00 179.24 176.59 1bhi h HIS 23 N 0.78 0.16 -0.14 4.55 3.86 -1.92 -2.50 115.15 119.93 1bhi h HIS 23 Ca 0.30 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.34 1bhi h HIS 23 Cb 0.14 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1bhi h HIS 23 CO -0.06 0.55 -0.49 1.25 0.86 0.00 0.00 177.93 180.04 1bhi h LEU 24 N 0.11 0.40 0.67 2.43 5.85 -0.98 -2.48 115.31 121.30 1bhi h LEU 24 Ca 0.01 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1bhi h LEU 24 Cb 0.82 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.74 1bhi h LEU 24 CO 0.06 0.83 -0.32 0.00 -0.34 0.00 0.00 178.44 178.67 1bhi h ALA 25 N 1.19 -0.90 -0.75 1.25 0.00 -0.02 0.17 119.26 120.19 1bhi h ALA 25 Ca 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bhi h ALA 25 Cb 0.97 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1bhi h ALA 25 CO 0.08 -0.95 0.46 -0.39 0.00 0.00 0.00 179.25 178.45 1bhi h VAL 26 N -1.01 1.21 -0.40 0.00 -1.51 -1.57 0.10 116.25 113.07 1bhi h VAL 26 Ca -0.09 -0.44 -0.06 0.00 -1.23 0.00 0.00 66.70 64.88 1bhi h VAL 26 Cb 0.72 0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1bhi h VAL 26 CO 0.15 0.21 0.01 -0.74 -1.23 0.00 0.00 177.57 175.97 1bhi h HIS 27 N 1.03 0.76 -0.46 5.19 6.17 -1.31 -2.49 115.15 124.04 1bhi h HIS 27 Ca 0.27 -0.13 -0.08 0.00 0.71 0.00 0.00 60.37 61.14 1bhi h HIS 27 Cb -0.06 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 29.66 1bhi h HIS 27 CO 0.00 0.77 -0.02 0.87 0.71 0.00 0.00 177.93 180.26 1bhi h LYS 28 N 0.53 0.83 -0.65 5.26 1.57 -0.17 -2.97 116.57 120.97 1bhi h LYS 28 Ca 0.11 -0.27 0.12 0.00 -1.87 0.00 0.00 60.65 58.74 1bhi h LYS 28 Cb 0.46 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.61 1bhi h LYS 28 CO 0.02 0.89 0.17 1.25 -0.57 0.00 0.00 179.45 181.21 1bhi h HIS 29 N 0.67 0.28 -0.71 -1.35 2.76 -0.64 0.67 115.15 116.83 1bhi h HIS 29 Ca 0.13 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.39 1bhi h HIS 29 Cb 0.53 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.41 1bhi h HIS 29 CO 0.04 -0.01 0.41 -0.22 -1.30 0.00 0.00 177.93 176.85 1bhi h LYS 30 N 0.30 0.73 0.21 5.26 1.63 -1.29 0.20 116.57 123.61 1bhi h LYS 30 Ca 0.35 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.09 1bhi h LYS 30 Cb 0.52 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1bhi h LYS 30 CO -0.41 0.48 -0.10 0.45 -3.45 0.00 0.00 179.45 176.42 1bhi h HIS 31 N 0.75 -0.26 0.00 1.91 3.86 -0.92 -2.89 115.15 117.60 1bhi h HIS 31 Ca 0.31 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1bhi h HIS 31 Cb 0.18 0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1bhi h HIS 31 CO -0.07 0.02 0.00 0.93 0.86 0.00 0.00 177.93 179.68 1bhi h GLU 32 N -0.54 0.00 0.25 2.45 3.07 -0.70 -3.27 114.58 115.84 1bhi h GLU 32 Ca -0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1bhi h GLU 32 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1bhi h GLU 32 CO 0.05 0.00 -0.14 1.98 -1.40 0.00 0.00 179.01 179.50 1bhi h MET 33 N 0.00 -0.35 0.00 2.33 4.05 -0.38 -3.48 114.93 117.11 1bhi h MET 33 Ca 0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1bhi h MET 33 Cb 0.29 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1bhi h MET 33 CO 0.00 -0.23 0.00 -2.37 0.23 0.00 0.00 176.91 174.54 1bhi n THR 34 N -3.09 0.00 -3.76 -0.77 5.66 -1.23 -5.00 114.28 106.10 1bhi n THR 34 Ca -0.04 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.70 1bhi n THR 34 Cb 0.15 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 68.97 1bhi n THR 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1bhi n LEU 35 N 0.00 -2.99 -4.56 1.09 4.77 -1.26 -4.89 117.00 109.15 1bhi n LEU 35 Ca 0.00 -0.71 -0.42 0.00 -0.03 0.00 0.00 56.01 54.85 1bhi n LEU 35 Cb 0.00 -2.75 -0.03 0.00 -2.33 0.00 0.00 43.42 38.31 1bhi n LEU 35 CO 0.00 0.51 1.08 -0.75 -1.33 0.00 0.00 177.39 176.90 1bhi s LYS 36 N -6.33 3.35 0.00 3.23 2.20 -1.26 -4.28 119.74 116.65 1bhi s LYS 36 Ca 0.48 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 1bhi s LYS 36 Cb -0.23 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.00 1bhi s LYS 36 CO 0.79 -1.87 0.00 1.19 -0.36 0.00 0.00 175.35 175.11 1bhi n PHE 37 N 8.73 0.00 -0.93 4.03 3.72 -1.26 -5.27 117.46 126.47 1bhi n PHE 37 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1bhi n PHE 37 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1bhi n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12