#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 -1.16 -1.93 6.12 7.64 -1.26 -4.82 113.62 118.21 1bhi n SER 2 Ca 0.00 -0.90 -0.11 0.00 1.01 0.00 0.00 58.87 58.87 1bhi n SER 2 Cb 0.00 -3.65 -0.11 0.00 -1.01 0.00 0.00 64.21 59.44 1bhi n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1bhi n ASP 3 N -3.01 5.44 0.26 6.43 9.92 -1.26 -4.42 116.55 129.91 1bhi n ASP 3 Ca -0.29 -2.56 -0.12 0.00 -0.53 0.00 0.00 54.79 51.29 1bhi n ASP 3 Cb 0.68 -1.32 -0.06 0.00 -0.64 0.00 0.00 41.12 39.78 1bhi n ASP 3 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1bhi h ASP 4 N 2.47 -0.60 0.00 -2.24 5.19 -2.01 -3.43 116.42 115.80 1bhi h ASP 4 Ca 0.17 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.39 1bhi h ASP 4 Cb 1.29 0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.93 1bhi h ASP 4 CO 0.26 -0.19 -1.67 1.17 -3.12 0.00 0.00 179.24 175.69 1bhi n LYS 5 N -5.25 0.28 -2.70 3.56 3.00 -1.26 -4.87 118.16 110.91 1bhi n LYS 5 Ca -0.09 0.08 -0.42 0.00 -0.00 0.00 0.00 58.31 57.88 1bhi n LYS 5 Cb 0.29 -1.14 -0.03 0.00 0.00 0.00 0.00 35.03 34.16 1bhi n LYS 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1bhi s PRO 6 N -2.23 3.60 -0.60 1.64 0.04 -1.26 -4.21 135.00 131.98 1bhi s PRO 6 Ca -0.16 -1.38 -0.28 0.00 0.04 0.00 0.00 61.00 59.22 1bhi s PRO 6 Cb 0.05 -5.19 0.02 0.00 0.04 0.00 0.00 34.50 29.42 1bhi s PRO 6 CO 0.25 -2.04 1.31 -0.06 0.04 0.00 0.00 177.00 176.50 1bhi s PHE 7 N 4.07 2.40 -0.37 0.56 0.08 -0.35 -4.37 117.98 119.99 1bhi s PHE 7 Ca 0.41 0.36 -0.19 0.00 0.12 0.00 0.00 56.93 57.63 1bhi s PHE 7 Cb -0.02 -4.48 0.01 0.00 -0.57 0.00 0.00 43.02 37.96 1bhi s PHE 7 CO -0.10 -1.85 0.56 -0.51 -0.10 0.00 0.00 175.22 173.23 1bhi s LEU 8 N 5.62 4.40 0.17 -0.37 1.43 -1.26 -2.02 118.68 126.64 1bhi s LEU 8 Ca 0.46 -0.10 -0.31 0.00 -1.03 0.00 0.00 54.13 53.15 1bhi s LEU 8 Cb -0.09 -2.64 -0.09 0.00 0.03 0.00 0.00 46.19 43.40 1bhi s LEU 8 CO 0.23 -0.58 1.44 0.00 0.23 0.00 0.00 176.35 177.68 1bhi n THR 10 N 3.44 3.77 -4.16 0.00 -2.24 -1.26 -4.34 114.28 109.49 1bhi n THR 10 Ca 0.10 -3.76 -0.16 0.00 -2.27 0.00 0.00 64.05 57.96 1bhi n THR 10 Cb 0.41 -2.42 -0.15 0.00 -2.10 0.00 0.00 70.33 66.07 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 4.05 0.46 0.00 6.98 0.00 -1.26 -4.97 121.76 127.01 1bhi s ALA 11 Ca 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1bhi s ALA 11 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1bhi s ALA 11 CO 0.03 0.09 0.36 -0.35 0.00 0.00 0.00 175.76 175.90 1bhi n PRO 12 N 3.10 0.00 -0.09 0.00 -0.04 -1.26 -1.57 135.00 135.13 1bhi n PRO 12 Ca -0.15 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1bhi n PRO 12 Cb 0.57 -0.94 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 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 0.71 2.07 2.08 0.55 0.00 -1.26 -4.11 105.19 105.23 1bhi n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.18 -0.66 3.86 0.00 0.00 -0.61 -4.92 105.19 102.69 1bhi n GLY 15 Ca 0.00 0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 -6.78 3.47 0.07 1.61 -0.21 -1.26 -4.72 119.66 111.83 1bhi s GLN 16 Ca 0.36 0.80 0.08 0.00 0.02 0.00 0.00 55.36 56.62 1bhi s GLN 16 Cb -0.20 -2.06 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 1bhi s GLN 16 CO 0.75 -0.67 -0.21 0.50 -2.12 0.00 0.00 175.29 173.53 1bhi s ARG 17 N -5.12 1.33 0.08 2.91 3.00 -1.26 -1.07 118.95 118.82 1bhi s ARG 17 Ca 0.56 -1.04 -0.01 0.00 -1.00 0.00 0.00 55.73 54.23 1bhi s ARG 17 Cb -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 34.95 33.28 1bhi s ARG 17 CO 0.54 0.38 0.01 -0.06 0.00 0.00 0.00 175.30 176.16 1bhi s PHE 18 N -0.93 0.63 -2.26 5.12 0.40 -0.86 -4.98 117.98 115.11 1bhi s PHE 18 Ca 0.08 -1.12 0.20 0.00 -0.60 0.00 0.00 56.93 55.49 1bhi s PHE 18 Cb -0.09 -0.41 0.55 0.00 0.51 0.00 0.00 43.02 43.57 1bhi s PHE 18 CO 0.03 -0.44 1.44 -2.37 0.70 0.00 0.00 175.22 174.59 1bhi n THR 19 N 0.03 0.46 -3.78 0.64 5.66 -1.26 -1.21 114.28 114.82 1bhi n THR 19 Ca -0.11 -0.59 -0.13 0.00 -3.05 0.00 0.00 64.05 60.18 1bhi n THR 19 Cb 0.62 0.56 -0.12 0.00 -1.55 0.00 0.00 70.33 69.84 1bhi n THR 19 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1bhi s ASN 20 N -1.36 -0.22 0.53 1.09 -0.87 -1.26 -4.90 114.94 107.95 1bhi s ASN 20 Ca 0.35 0.44 0.30 0.00 -1.57 0.00 0.00 52.86 52.38 1bhi s ASN 20 Cb 0.19 0.41 1.49 0.00 -0.02 0.00 0.00 41.25 43.33 1bhi s ASN 20 CO 0.27 -0.10 2.07 1.05 -2.57 0.00 0.00 177.10 177.82 1bhi h GLU 21 N 6.22 0.00 -0.19 -0.60 4.11 -1.91 -2.64 114.58 119.57 1bhi h GLU 21 Ca -0.30 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.16 1bhi h GLU 21 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1bhi h GLU 21 CO 0.38 0.10 -0.00 -0.44 0.07 0.00 0.00 179.01 179.12 1bhi h ASP 22 N 0.00 -0.07 -0.32 3.06 5.19 -1.99 0.27 116.42 122.55 1bhi h ASP 22 Ca -0.00 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.34 1bhi h ASP 22 Cb 0.36 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1bhi h ASP 22 CO 0.01 -0.01 -0.21 0.45 -3.12 0.00 0.00 179.24 176.36 1bhi h HIS 23 N 0.06 0.91 -0.47 4.55 3.86 -1.91 -2.56 115.15 119.60 1bhi h HIS 23 Ca 0.09 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.06 1bhi h HIS 23 Cb 0.11 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1bhi h HIS 23 CO -0.17 0.94 0.13 1.25 0.86 0.00 0.00 177.93 180.94 1bhi h LEU 24 N 0.70 0.63 0.87 2.43 5.85 -1.16 -1.31 115.31 123.32 1bhi h LEU 24 Ca 0.10 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1bhi h LEU 24 Cb 0.73 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.60 1bhi h LEU 24 CO 0.06 0.62 -0.42 0.00 -0.34 0.00 0.00 178.44 178.36 1bhi h ALA 25 N 1.47 -1.17 -0.69 1.25 0.00 -0.08 0.26 119.26 120.30 1bhi h ALA 25 Ca 0.16 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1bhi h ALA 25 Cb 0.22 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1bhi h ALA 25 CO -0.01 -1.10 0.45 -0.39 0.00 0.00 0.00 179.25 178.21 1bhi h VAL 26 N -1.28 1.15 -0.49 0.00 -1.51 -1.48 0.75 116.25 113.39 1bhi h VAL 26 Ca -0.12 -0.31 -0.05 0.00 -1.23 0.00 0.00 66.70 64.99 1bhi h VAL 26 Cb 0.90 0.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.21 1bhi h VAL 26 CO 0.20 0.16 0.11 -0.74 -1.23 0.00 0.00 177.57 176.07 1bhi h HIS 27 N 0.90 0.84 -0.54 5.19 6.17 -1.10 -0.25 115.15 126.35 1bhi h HIS 27 Ca 0.26 -0.11 -0.12 0.00 0.71 0.00 0.00 60.37 61.12 1bhi h HIS 27 Cb -0.05 -0.24 -0.02 0.00 2.52 0.00 0.00 27.41 29.63 1bhi h HIS 27 CO -0.00 0.76 -0.12 -0.22 0.71 0.00 0.00 177.93 179.06 1bhi h LYS 28 N 0.68 1.04 -0.54 5.26 1.63 0.34 -2.54 116.57 122.45 1bhi h LYS 28 Ca 0.15 -0.39 -0.05 0.00 -0.85 0.00 0.00 60.65 59.51 1bhi h LYS 28 Cb 0.35 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 1bhi h LYS 28 CO 0.00 1.08 0.14 1.25 -3.45 0.00 0.00 179.45 178.48 1bhi h HIS 29 N 0.92 0.84 -0.36 1.91 2.76 -0.66 -0.56 115.15 119.99 1bhi h HIS 29 Ca 0.14 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 1bhi h HIS 29 Cb 0.69 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 1bhi h HIS 29 CO 0.05 0.70 0.05 -0.22 -1.30 0.00 0.00 177.93 177.21 1bhi h LYS 30 N 0.79 0.55 0.45 5.26 3.64 -0.71 -0.08 116.57 126.47 1bhi h LYS 30 Ca 0.18 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1bhi h LYS 30 Cb 0.27 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1bhi h LYS 30 CO -0.00 0.53 -0.22 0.45 -2.27 0.00 0.00 179.45 177.94 1bhi h HIS 31 N 0.53 -0.56 -0.92 1.91 3.86 -0.97 -3.28 115.15 115.72 1bhi h HIS 31 Ca 0.12 -0.01 -0.54 0.00 -1.16 0.00 0.00 60.37 58.78 1bhi h HIS 31 Cb 0.26 0.19 -0.14 0.00 1.06 0.00 0.00 27.41 28.78 1bhi h HIS 31 CO 0.01 -0.35 1.02 0.39 0.86 0.00 0.00 177.93 179.86 1bhi n GLU 32 N -5.05 3.03 -2.17 2.45 4.71 -0.29 -4.87 120.64 118.45 1bhi n GLU 32 Ca -0.08 -2.49 -0.31 0.00 -0.01 0.00 0.00 57.16 54.27 1bhi n GLU 32 Cb 0.24 -2.29 -0.05 0.00 -1.01 0.00 0.00 31.44 28.33 1bhi n GLU 32 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 1bhi s MET 33 N -1.07 2.79 0.56 3.49 1.75 -0.05 -4.76 119.30 122.00 1bhi s MET 33 Ca 0.59 -1.32 0.30 0.00 -1.25 0.00 0.00 55.69 54.01 1bhi s MET 33 Cb 0.31 -5.30 1.46 0.00 2.84 0.00 0.00 34.83 34.15 1bhi s MET 33 CO -0.15 -3.64 1.90 0.00 -0.65 0.00 0.00 175.02 172.47 1bhi h THR 34 N 6.07 0.50 -0.56 10.11 1.03 -1.90 0.21 112.91 128.38 1bhi h THR 34 Ca 0.26 0.00 0.08 0.00 -0.01 0.00 0.00 66.41 66.74 1bhi h THR 34 Cb 0.93 0.59 -0.06 0.00 -1.07 0.00 0.00 68.15 68.54 1bhi h THR 34 CO 1.27 0.00 0.21 0.25 -0.01 0.00 0.00 175.52 177.24 1bhi h LEU 35 N 0.00 0.23 -6.11 0.00 7.12 -1.95 -3.33 115.31 111.26 1bhi h LEU 35 Ca 0.32 0.06 -0.52 0.00 0.13 0.00 0.00 57.88 57.88 1bhi h LEU 35 Cb 1.43 0.04 -0.35 0.00 -0.53 0.00 0.00 40.66 41.26 1bhi h LEU 35 CO -0.00 0.15 -0.92 1.17 -0.13 0.00 0.00 178.44 178.71 1bhi n LYS 36 N -4.98 0.30 -3.60 1.25 3.00 0.00 -5.05 118.16 109.08 1bhi n LYS 36 Ca 0.07 -2.99 -0.37 0.00 -0.00 0.00 0.00 58.31 55.02 1bhi n LYS 36 Cb 0.23 -1.59 -0.06 0.00 0.00 0.00 0.00 35.03 33.61 1bhi n LYS 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1bhi n PHE 37 N 2.67 4.28 -0.32 5.64 7.35 -0.84 -4.81 117.46 131.44 1bhi n PHE 37 Ca 0.27 -4.09 0.00 0.00 -0.76 0.00 0.00 57.45 52.86 1bhi n PHE 37 Cb 0.50 -1.18 0.00 0.00 0.35 0.00 0.00 39.48 39.15 1bhi n PHE 37 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41