#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 0.97 -4.62 7.83 4.64 -1.88 -3.39 113.55 117.09 1bhi h SER 2 Ca 0.00 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.09 1bhi h SER 2 Cb 0.00 -0.23 -0.15 0.00 -0.31 0.00 0.00 62.40 61.72 1bhi h SER 2 CO 0.00 0.67 -0.70 -0.62 -0.87 0.00 0.00 176.83 175.32 1bhi s ASP 3 N -6.14 1.12 -0.17 4.97 2.15 -1.26 -5.02 116.67 112.31 1bhi s ASP 3 Ca -0.12 -1.01 -0.08 0.00 0.43 0.00 0.00 52.55 51.78 1bhi s ASP 3 Cb 0.19 0.10 0.03 0.00 -0.30 0.00 0.00 42.92 42.94 1bhi s ASP 3 CO 0.80 -0.47 0.15 -0.67 -0.17 0.00 0.00 175.17 174.81 1bhi n ASP 4 N -0.04 -3.28 -0.80 -0.34 2.03 -1.26 -4.90 116.55 107.96 1bhi n ASP 4 Ca -0.12 1.26 0.03 0.00 0.52 0.00 0.00 54.79 56.48 1bhi n ASP 4 Cb 0.61 -4.52 -0.02 0.00 -0.72 0.00 0.00 41.12 36.47 1bhi n ASP 4 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1bhi n LYS 5 N 1.63 -2.02 -0.07 -0.67 5.02 -1.26 -1.85 118.16 118.94 1bhi n LYS 5 Ca -0.26 1.60 -0.03 0.00 -2.02 0.00 0.00 58.31 57.60 1bhi n LYS 5 Cb 0.43 -2.08 0.03 0.00 -0.02 0.00 0.00 35.03 33.38 1bhi n LYS 5 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1bhi n PRO 6 N -2.47 -1.70 -2.93 1.97 -0.04 -1.26 -0.20 135.00 128.37 1bhi n PRO 6 Ca -0.02 -0.17 -0.43 0.00 -0.04 0.00 0.00 63.50 62.84 1bhi n PRO 6 Cb 0.29 -0.18 -0.05 0.00 -0.04 0.00 0.00 33.50 33.52 1bhi n PRO 6 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1bhi s PHE 7 N -1.17 2.95 -0.20 0.54 0.40 -1.09 -2.19 117.98 117.23 1bhi s PHE 7 Ca 0.07 0.14 -0.14 0.00 -0.60 0.00 0.00 56.93 56.39 1bhi s PHE 7 Cb -0.01 -3.77 -0.04 0.00 0.51 0.00 0.00 43.02 39.71 1bhi s PHE 7 CO 0.06 -1.06 0.33 -1.17 0.70 0.00 0.00 175.22 174.08 1bhi s LEU 8 N 3.44 4.17 0.28 -0.37 0.20 -1.26 -1.98 118.68 123.15 1bhi s LEU 8 Ca 0.30 0.44 -0.02 0.00 0.69 0.00 0.00 54.13 55.55 1bhi s LEU 8 Cb -0.12 -2.41 0.38 0.00 -0.43 0.00 0.00 46.19 43.61 1bhi s LEU 8 CO 0.22 -0.01 1.83 0.00 -0.29 0.00 0.00 176.35 178.10 1bhi n THR 10 N -4.28 -4.41 -2.99 0.00 -2.24 -1.26 -4.98 114.28 94.11 1bhi n THR 10 Ca 0.04 -0.20 -0.18 0.00 -2.27 0.00 0.00 64.05 61.44 1bhi n THR 10 Cb 0.21 -3.52 0.03 0.00 -2.10 0.00 0.00 70.33 64.96 1bhi n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bhi s ALA 11 N -3.10 4.55 0.10 6.98 0.00 0.20 -5.02 121.76 125.47 1bhi s ALA 11 Ca 0.10 -1.80 -0.28 0.00 0.00 0.00 0.00 51.96 49.98 1bhi s ALA 11 Cb -0.05 -1.60 -0.11 0.00 0.00 0.00 0.00 23.12 21.36 1bhi s ALA 11 CO 0.88 -0.50 1.64 -1.35 0.00 0.00 0.00 175.76 176.43 1bhi h PRO 12 N 0.45 -0.53 0.00 0.00 0.11 -1.94 -3.36 132.00 126.73 1bhi h PRO 12 Ca -0.37 0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.61 1bhi h PRO 12 Cb 1.28 0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.48 1bhi h PRO 12 CO 0.44 -0.35 -1.63 0.41 -0.21 0.00 0.00 178.00 176.65 1bhi n GLY 13 N -1.39 -0.44 3.91 -0.55 0.00 -1.26 -5.03 105.19 100.43 1bhi n GLY 13 Ca -0.08 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.95 1.21 3.85 0.00 0.00 -1.26 -0.63 105.19 107.41 1bhi n GLY 15 Ca -0.02 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.06 2.10 0.05 1.61 -0.21 -1.26 -4.71 119.66 117.19 1bhi s GLN 16 Ca 0.23 0.37 0.06 0.00 0.02 0.00 0.00 55.36 56.04 1bhi s GLN 16 Cb 0.37 -1.94 -0.03 0.00 1.00 0.00 0.00 33.01 32.42 1bhi s GLN 16 CO -0.07 -1.55 -0.16 0.50 -2.12 0.00 0.00 175.29 171.90 1bhi s ARG 17 N -5.36 0.97 0.03 2.91 3.00 -1.26 -1.09 118.95 118.16 1bhi s ARG 17 Ca 0.61 -0.87 -0.00 0.00 -1.00 0.00 0.00 55.73 54.47 1bhi s ARG 17 Cb -0.13 -1.02 -0.03 0.00 0.00 0.00 0.00 34.95 33.78 1bhi s ARG 17 CO 0.52 0.25 -0.03 -0.06 0.00 0.00 0.00 175.30 175.97 1bhi s PHE 18 N -0.98 0.35 -0.13 5.12 0.40 -0.84 -5.02 117.98 116.88 1bhi s PHE 18 Ca 0.02 -0.69 0.14 0.00 -0.60 0.00 0.00 56.93 55.80 1bhi s PHE 18 Cb -0.09 -0.26 0.02 0.00 0.51 0.00 0.00 43.02 43.21 1bhi s PHE 18 CO 0.02 -0.24 1.39 1.15 0.70 0.00 0.00 175.22 178.23 1bhi h THR 19 N 4.20 0.93 -3.49 0.64 2.02 -1.99 -2.88 112.91 112.34 1bhi h THR 19 Ca -0.33 -2.33 -0.66 0.00 0.77 0.00 0.00 66.41 63.87 1bhi h THR 19 Cb 1.19 2.44 -0.24 0.00 -1.74 0.00 0.00 68.15 69.81 1bhi h THR 19 CO 0.48 0.53 -0.73 0.20 0.37 0.00 0.00 175.52 176.37 1bhi s ASN 20 N -6.44 4.33 0.54 4.18 -0.87 -1.26 -4.85 114.94 110.58 1bhi s ASN 20 Ca 0.03 -0.20 0.32 0.00 -1.57 0.00 0.00 52.86 51.44 1bhi s ASN 20 Cb 0.08 -1.46 1.50 0.00 -0.02 0.00 0.00 41.25 41.35 1bhi s ASN 20 CO 0.76 0.23 2.05 -0.08 -2.57 0.00 0.00 177.10 177.49 1bhi h GLU 21 N 6.23 0.00 -0.04 -0.60 4.81 -1.97 -2.90 114.58 120.11 1bhi h GLU 21 Ca -0.34 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1bhi h GLU 21 Cb 1.19 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1bhi h GLU 21 CO 0.56 0.07 -0.14 -0.44 -0.73 0.00 0.00 179.01 178.34 1bhi h ASP 22 N 0.00 -0.41 -0.33 1.04 5.19 -1.98 0.32 116.42 120.24 1bhi h ASP 22 Ca -0.00 0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 56.38 1bhi h ASP 22 Cb 0.41 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 1bhi h ASP 22 CO 0.01 -0.19 -0.13 0.45 -3.12 0.00 0.00 179.24 176.26 1bhi h HIS 23 N -0.22 0.85 -0.38 4.55 3.86 -1.95 -2.46 115.15 119.41 1bhi h HIS 23 Ca 0.06 -0.16 -0.06 0.00 -1.16 0.00 0.00 60.37 59.05 1bhi h HIS 23 Cb 0.30 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1bhi h HIS 23 CO -0.21 0.85 -0.02 1.25 0.86 0.00 0.00 177.93 180.66 1bhi h LEU 24 N 0.69 0.57 0.48 2.43 5.85 -1.31 -2.03 115.31 121.99 1bhi h LEU 24 Ca 0.11 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1bhi h LEU 24 Cb 0.61 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1bhi h LEU 24 CO 0.04 0.66 -0.23 0.00 -0.34 0.00 0.00 178.44 178.57 1bhi h ALA 25 N 1.41 -0.64 -0.79 1.25 0.00 0.09 0.24 119.26 120.82 1bhi h ALA 25 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1bhi h ALA 25 Cb 0.39 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1bhi h ALA 25 CO 0.02 -0.80 0.37 -0.39 0.00 0.00 0.00 179.25 178.44 1bhi h VAL 26 N -0.76 1.25 0.21 0.00 -1.51 -1.48 0.24 116.25 114.20 1bhi h VAL 26 Ca -0.07 -0.72 -0.01 0.00 -1.23 0.00 0.00 66.70 64.67 1bhi h VAL 26 Cb 0.55 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 29.97 1bhi h VAL 26 CO 0.11 0.30 -0.10 -0.74 -1.23 0.00 0.00 177.57 175.91 1bhi h HIS 27 N 1.12 -0.26 -0.69 5.19 6.17 -1.28 -2.94 115.15 122.46 1bhi h HIS 27 Ca 0.27 -0.01 -0.08 0.00 0.71 0.00 0.00 60.37 61.27 1bhi h HIS 27 Cb 0.14 0.09 -0.03 0.00 2.52 0.00 0.00 27.41 30.12 1bhi h HIS 27 CO 0.01 -0.04 0.13 -0.22 0.71 0.00 0.00 177.93 178.52 1bhi h LYS 28 N -0.44 1.12 -0.27 5.26 3.64 -0.39 -3.05 116.57 122.45 1bhi h LYS 28 Ca -0.03 -0.29 0.06 0.00 -1.27 0.00 0.00 60.65 59.13 1bhi h LYS 28 Cb 0.34 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 1bhi h LYS 28 CO 0.05 1.01 -0.21 1.25 -2.27 0.00 0.00 179.45 179.28 1bhi h HIS 29 N 1.06 -0.56 -0.23 1.91 2.76 -0.46 0.74 115.15 120.36 1bhi h HIS 29 Ca 0.21 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 1bhi h HIS 29 Cb 0.42 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 1bhi h HIS 29 CO 0.03 -0.29 0.03 0.87 -1.30 0.00 0.00 177.93 177.28 1bhi h LYS 30 N -0.20 0.34 0.17 5.26 1.57 -1.44 -1.59 116.57 120.67 1bhi h LYS 30 Ca 0.15 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1bhi h LYS 30 Cb 0.43 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1bhi h LYS 30 CO -0.39 0.34 -0.08 0.45 -0.57 0.00 0.00 179.45 179.20 1bhi h HIS 31 N 0.33 -0.21 -0.84 -1.35 3.86 -1.09 0.97 115.15 116.81 1bhi h HIS 31 Ca 0.08 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.35 1bhi h HIS 31 Cb 0.17 0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.66 1bhi h HIS 31 CO 0.00 0.21 0.55 0.93 0.86 0.00 0.00 177.93 180.49 1bhi h GLU 32 N -0.84 0.91 0.12 2.45 3.07 -0.83 -3.09 114.58 116.38 1bhi h GLU 32 Ca -0.02 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1bhi h GLU 32 Cb 0.52 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1bhi h GLU 32 CO 0.04 0.60 -0.06 0.52 -1.40 0.00 0.00 179.01 178.72 1bhi h MET 33 N 0.94 -0.15 -6.42 2.33 2.86 -1.34 -3.49 114.93 109.66 1bhi h MET 33 Ca 0.36 0.01 -0.37 0.00 -2.06 0.00 0.00 59.70 57.64 1bhi h MET 33 Cb 0.21 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1bhi h MET 33 CO -0.13 0.11 -0.90 0.25 1.06 0.00 0.00 176.91 177.30 1bhi n THR 34 N -4.86 -4.95 -2.62 2.22 -2.24 0.33 -3.61 114.28 98.56 1bhi n THR 34 Ca -0.04 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.68 1bhi n THR 34 Cb 0.17 -3.91 0.03 0.00 -2.10 0.00 0.00 70.33 64.51 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 -1.99 -4.82 0.03 3.22 0.00 -0.60 -4.94 117.00 107.89 1bhi n LEU 35 Ca -0.21 -0.28 0.00 0.00 0.00 0.00 0.00 56.01 55.52 1bhi n LEU 35 Cb 0.65 -2.44 0.00 0.00 0.00 0.00 0.00 43.42 41.63 1bhi n LEU 35 CO 0.60 -0.31 0.00 1.17 0.00 0.00 0.00 177.39 178.85 1bhi n LYS 36 N -2.14 0.00 -0.90 1.96 4.81 -1.24 -4.96 118.16 115.70 1bhi n LYS 36 Ca -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.39 1bhi n LYS 36 Cb 0.54 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.56 1bhi n LYS 36 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1bhi n PHE 37 N -2.63 0.00 0.00 5.64 7.35 -1.26 -5.13 117.46 121.43 1bhi n PHE 37 Ca 0.00 -0.32 0.00 0.00 -0.76 0.00 0.00 57.45 56.37 1bhi n PHE 37 Cb 0.00 0.28 0.00 0.00 0.35 0.00 0.00 39.48 40.11 1bhi n PHE 37 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41