#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 4.31 -1.91 6.12 2.88 -1.26 -4.06 113.62 119.69 1bhi n SER 2 Ca 0.00 -2.86 -0.07 0.00 -1.33 0.00 0.00 58.87 54.61 1bhi n SER 2 Cb 0.00 -1.69 -0.02 0.00 -0.75 0.00 0.00 64.21 61.76 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 8.24 -0.56 -1.28 -3.46 5.68 -1.26 -5.06 116.55 118.85 1bhi n ASP 3 Ca 0.50 -1.87 0.10 0.00 -0.50 0.00 0.00 54.79 53.02 1bhi n ASP 3 Cb 0.44 1.08 0.30 0.00 -1.14 0.00 0.00 41.12 41.79 1bhi n ASP 3 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1bhi n ASP 4 N -1.99 3.96 -4.68 -1.12 5.75 -1.26 -4.45 116.55 112.75 1bhi n ASP 4 Ca 0.01 -2.11 -0.42 0.00 -0.01 0.00 0.00 54.79 52.25 1bhi n ASP 4 Cb 0.26 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 39.86 1bhi n ASP 4 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1bhi s LYS 5 N -1.21 4.25 -0.23 0.11 2.36 -1.26 -4.95 119.74 118.82 1bhi s LYS 5 Ca 0.45 2.06 -0.29 0.00 -2.55 0.00 0.00 55.97 55.64 1bhi s LYS 5 Cb 0.25 -3.66 -0.02 0.00 -1.05 0.00 0.00 37.83 33.35 1bhi s LYS 5 CO 0.28 -0.66 1.50 -1.25 1.55 0.00 0.00 175.35 176.78 1bhi s PRO 6 N 2.78 3.89 -0.50 4.03 0.04 -1.26 -4.50 135.00 139.47 1bhi s PRO 6 Ca 0.67 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 1bhi s PRO 6 Cb -0.33 -3.97 0.10 0.00 0.04 0.00 0.00 34.50 30.35 1bhi s PRO 6 CO 0.27 -1.17 0.44 -0.06 0.04 0.00 0.00 177.00 176.52 1bhi s PHE 7 N 4.76 3.26 -0.30 0.56 0.08 -0.15 -4.95 117.98 121.24 1bhi s PHE 7 Ca 0.66 -1.17 -0.19 0.00 0.12 0.00 0.00 56.93 56.35 1bhi s PHE 7 Cb -0.23 -3.47 -0.01 0.00 -0.57 0.00 0.00 43.02 38.74 1bhi s PHE 7 CO 0.26 -0.91 0.58 -1.17 -0.10 0.00 0.00 175.22 173.88 1bhi s LEU 8 N 1.60 4.16 -1.14 -0.37 2.96 -1.26 -1.85 118.68 122.78 1bhi s LEU 8 Ca 0.04 0.36 -0.20 0.00 -0.22 0.00 0.00 54.13 54.11 1bhi s LEU 8 Cb -0.27 -2.73 0.08 0.00 0.50 0.00 0.00 46.19 43.77 1bhi s LEU 8 CO 0.04 -0.43 1.52 0.00 -1.32 0.00 0.00 176.35 176.16 1bhi n THR 10 N 6.28 0.20 -3.66 0.00 -1.04 -1.26 -3.78 114.28 111.02 1bhi n THR 10 Ca 0.38 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.05 61.98 1bhi n THR 10 Cb 0.48 -1.69 -0.08 0.00 -1.82 0.00 0.00 70.33 67.22 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 7.28 -1.23 -0.03 2.41 0.00 -1.26 -4.91 121.76 124.01 1bhi s ALA 11 Ca 1.09 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 53.60 1bhi s ALA 11 Cb -0.83 -0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.16 1bhi s ALA 11 CO 0.48 -0.30 1.76 -1.25 0.00 0.00 0.00 175.76 176.45 1bhi s PRO 12 N -1.07 4.14 0.00 0.00 0.04 -1.26 -2.21 135.00 134.63 1bhi s PRO 12 Ca -0.11 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1bhi s PRO 12 Cb -0.03 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1bhi s PRO 12 CO 0.06 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.59 1bhi n GLY 13 N 4.31 0.94 0.00 0.56 0.00 -1.26 -4.67 105.19 105.06 1bhi n GLY 13 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.43 -0.43 3.84 0.00 0.00 -0.94 -4.92 105.19 103.17 1bhi n GLY 15 Ca 0.00 0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -7.43 4.06 0.03 1.61 -0.21 -1.25 -4.80 119.66 111.68 1bhi s GLN 16 Ca 0.22 0.73 0.07 0.00 0.02 0.00 0.00 55.36 56.39 1bhi s GLN 16 Cb -0.12 -2.52 -0.02 0.00 1.00 0.00 0.00 33.01 31.35 1bhi s GLN 16 CO 0.99 0.20 -0.19 0.50 -2.12 0.00 0.00 175.29 174.67 1bhi s ARG 17 N -2.78 1.31 0.10 2.91 3.00 -1.26 -0.59 118.95 121.64 1bhi s ARG 17 Ca 0.52 -0.86 0.02 0.00 -1.00 0.00 0.00 55.73 54.41 1bhi s ARG 17 Cb -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 34.95 33.42 1bhi s ARG 17 CO 0.18 0.35 -0.07 -0.06 0.00 0.00 0.00 175.30 175.70 1bhi s PHE 18 N -0.76 0.93 -0.16 5.12 0.40 -0.77 -4.95 117.98 117.80 1bhi s PHE 18 Ca 0.06 -0.83 0.18 0.00 -0.60 0.00 0.00 56.93 55.74 1bhi s PHE 18 Cb -0.08 -0.53 0.23 0.00 0.51 0.00 0.00 43.02 43.16 1bhi s PHE 18 CO 0.01 -0.10 1.53 0.00 0.70 0.00 0.00 175.22 177.36 1bhi h THR 19 N 3.15 0.69 -4.22 0.64 1.03 -1.88 -0.37 112.91 111.95 1bhi h THR 19 Ca -0.36 -1.87 -0.69 0.00 -0.01 0.00 0.00 66.41 63.49 1bhi h THR 19 Cb 1.17 2.26 -0.26 0.00 -1.07 0.00 0.00 68.15 70.26 1bhi h THR 19 CO 0.61 0.38 -0.88 0.20 -0.01 0.00 0.00 175.52 175.82 1bhi s ASN 20 N -6.38 3.14 0.51 0.00 0.01 -1.26 -3.99 114.94 106.97 1bhi s ASN 20 Ca 0.04 -0.62 0.30 0.00 -0.71 0.00 0.00 52.86 51.87 1bhi s ASN 20 Cb 0.08 -0.27 1.23 0.00 0.41 0.00 0.00 41.25 42.69 1bhi s ASN 20 CO 0.72 0.24 1.94 1.05 -1.51 0.00 0.00 177.10 179.53 1bhi h GLU 21 N 4.62 0.00 -0.62 -0.60 4.11 -1.88 -2.87 114.58 117.34 1bhi h GLU 21 Ca -0.47 0.00 0.02 0.00 0.07 0.00 0.00 59.36 58.98 1bhi h GLU 21 Cb 1.15 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 1bhi h GLU 21 CO 0.43 0.08 0.40 0.22 0.07 0.00 0.00 179.01 180.21 1bhi h ASP 22 N 0.00 0.68 0.17 3.06 3.58 -1.95 0.14 116.42 122.10 1bhi h ASP 22 Ca -0.00 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 1bhi h ASP 22 Cb 0.58 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1bhi h ASP 22 CO 0.01 0.48 -0.29 0.45 -2.88 0.00 0.00 179.24 177.01 1bhi h HIS 23 N 0.80 0.22 0.00 0.28 3.86 -1.93 -1.79 115.15 116.59 1bhi h HIS 23 Ca 0.24 -0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.30 1bhi h HIS 23 Cb -0.04 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1bhi h HIS 23 CO -0.04 0.48 -0.51 1.25 0.86 0.00 0.00 177.93 179.97 1bhi h LEU 24 N 0.18 0.00 0.59 2.43 5.85 -1.16 -2.16 115.31 121.04 1bhi h LEU 24 Ca 0.03 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1bhi h LEU 24 Cb 0.61 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.65 1bhi h LEU 24 CO 0.04 0.51 -0.28 0.00 -0.34 0.00 0.00 178.44 178.37 1bhi h ALA 25 N 1.49 -0.79 -0.57 1.25 0.00 0.11 0.15 119.26 120.90 1bhi h ALA 25 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1bhi h ALA 25 Cb 0.90 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1bhi h ALA 25 CO 0.07 -0.79 0.35 -0.39 0.00 0.00 0.00 179.25 178.48 1bhi h VAL 26 N -1.09 1.16 0.18 0.00 -1.51 -1.55 -0.78 116.25 112.66 1bhi h VAL 26 Ca -0.08 -0.35 -0.01 0.00 -1.23 0.00 0.00 66.70 65.03 1bhi h VAL 26 Cb 0.66 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 1bhi h VAL 26 CO 0.13 0.17 -0.09 -0.74 -1.23 0.00 0.00 177.57 175.81 1bhi h HIS 27 N 0.78 -0.23 0.00 5.19 6.17 -1.35 -2.82 115.15 122.91 1bhi h HIS 27 Ca 0.21 -0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.22 1bhi h HIS 27 Cb -0.04 0.07 -0.01 0.00 2.52 0.00 0.00 27.41 29.96 1bhi h HIS 27 CO 0.00 0.17 -0.27 1.57 0.71 0.00 0.00 177.93 180.11 1bhi h LYS 28 N -0.70 0.00 -0.64 5.26 2.10 -0.58 -2.37 116.57 119.64 1bhi h LYS 28 Ca -0.02 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.58 1bhi h LYS 28 Cb 0.50 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.80 1bhi h LYS 28 CO 0.04 0.27 0.22 1.25 -2.00 0.00 0.00 179.45 179.24 1bhi h HIS 29 N 0.00 1.00 -0.56 0.07 2.76 -1.13 0.98 115.15 118.27 1bhi h HIS 29 Ca -0.00 -0.09 0.01 0.00 -2.20 0.00 0.00 60.37 58.08 1bhi h HIS 29 Cb 0.53 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 1bhi h HIS 29 CO 0.00 0.81 0.37 0.87 -1.30 0.00 0.00 177.93 178.68 1bhi h LYS 30 N 0.91 0.74 0.04 5.26 1.79 -1.16 -2.50 116.57 121.65 1bhi h LYS 30 Ca 0.21 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1bhi h LYS 30 Cb 0.26 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1bhi h LYS 30 CO -0.01 0.49 -0.02 0.45 -1.08 0.00 0.00 179.45 179.28 1bhi h HIS 31 N 0.76 -0.05 -0.24 -1.35 3.86 -1.31 -3.27 115.15 113.56 1bhi h HIS 31 Ca 0.21 -0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.16 1bhi h HIS 31 Cb -0.09 0.02 -0.09 0.00 1.06 0.00 0.00 27.41 28.31 1bhi h HIS 31 CO -0.00 0.53 -0.20 -1.91 0.86 0.00 0.00 177.93 177.21 1bhi n GLU 32 N -4.82 2.10 -1.89 2.45 4.07 0.29 -4.77 120.64 118.06 1bhi n GLU 32 Ca -0.09 -1.31 -0.42 0.00 -0.06 0.00 0.00 57.16 55.29 1bhi n GLU 32 Cb 0.30 -2.04 0.00 0.00 -0.06 0.00 0.00 31.44 29.65 1bhi n GLU 32 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 1bhi n MET 33 N 2.14 3.01 -0.14 5.31 0.00 -1.03 -4.74 117.12 121.67 1bhi n MET 33 Ca 0.44 -2.81 -0.08 0.00 -0.00 0.00 0.00 57.70 55.26 1bhi n MET 33 Cb 0.84 -3.24 0.01 0.00 0.00 0.00 0.00 33.22 30.83 1bhi n MET 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1bhi h THR 34 N 4.05 1.12 -0.08 1.12 1.03 -1.87 -3.41 112.91 114.87 1bhi h THR 34 Ca 0.53 -0.26 -0.15 0.00 -0.01 0.00 0.00 66.41 66.52 1bhi h THR 34 Cb 0.65 0.51 -0.14 0.00 -1.07 0.00 0.00 68.15 68.11 1bhi h THR 34 CO 1.81 0.12 -0.31 -0.11 -0.01 0.00 0.00 175.52 177.02 1bhi n LEU 35 N -4.76 -2.31 -3.12 0.00 7.94 -1.26 -5.09 117.00 108.39 1bhi n LEU 35 Ca 0.01 -2.62 0.02 0.00 -1.11 0.00 0.00 56.01 52.31 1bhi n LEU 35 Cb 0.04 0.72 -0.01 0.00 0.53 0.00 0.00 43.42 44.70 1bhi n LEU 35 CO 0.35 1.80 0.17 -0.75 -1.11 0.00 0.00 177.39 177.86 1bhi s LYS 36 N 0.52 0.65 -0.87 1.96 2.20 -1.26 -5.10 119.74 117.84 1bhi s LYS 36 Ca 0.29 -0.10 -0.25 0.00 -0.36 0.00 0.00 55.97 55.55 1bhi s LYS 36 Cb 0.20 0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 1bhi s LYS 36 CO -0.17 -0.98 1.57 0.12 -0.36 0.00 0.00 175.35 175.54 1bhi s PHE 37 N 2.04 2.19 0.00 4.03 5.36 -1.26 -4.97 117.98 125.38 1bhi s PHE 37 Ca 0.15 -0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 1bhi s PHE 37 Cb -0.03 -4.46 0.00 0.00 -0.34 0.00 0.00 43.02 38.19 1bhi s PHE 37 CO -0.11 -1.98 0.00 0.41 -1.46 0.00 0.00 175.22 172.07