#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhi s SER 2 N 0.00 6.82 -1.37 6.12 0.15 -1.26 -4.91 113.70 119.25 1bhi s SER 2 Ca 0.00 2.27 -0.16 0.00 0.70 0.00 0.00 55.95 58.76 1bhi s SER 2 Cb 0.00 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.79 1bhi s SER 2 CO 0.00 -0.69 1.95 -0.67 1.20 0.00 0.00 173.24 175.03 1bhi n ASP 3 N 4.49 4.48 0.21 5.45 -0.08 -1.26 -4.69 116.55 125.15 1bhi n ASP 3 Ca 0.12 -2.89 0.14 0.00 -1.51 0.00 0.00 54.79 50.66 1bhi n ASP 3 Cb 0.43 -1.71 0.51 0.00 2.34 0.00 0.00 41.12 42.69 1bhi n ASP 3 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1bhi h ASP 4 N 6.90 0.00 -1.96 1.67 3.32 -1.93 -3.45 116.42 120.98 1bhi h ASP 4 Ca 0.50 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.92 1bhi h ASP 4 Cb 0.77 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.34 1bhi h ASP 4 CO 1.64 0.00 1.04 1.17 -1.72 0.00 0.00 179.24 181.38 1bhi n LYS 5 N -2.77 1.99 -1.97 3.56 0.00 -1.26 -4.88 118.16 112.82 1bhi n LYS 5 Ca 0.02 0.73 -0.42 0.00 0.00 0.00 0.00 58.31 58.64 1bhi n LYS 5 Cb 0.34 -2.54 -0.03 0.00 0.00 0.00 0.00 35.03 32.80 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 3.77 4.22 -1.05 1.64 0.04 -1.26 -4.92 135.00 137.44 1bhi s PRO 6 Ca 0.93 2.29 -0.22 0.00 0.04 0.00 0.00 61.00 64.03 1bhi s PRO 6 Cb -0.76 -3.44 0.05 0.00 0.04 0.00 0.00 34.50 30.40 1bhi s PRO 6 CO 0.53 -0.66 1.47 -0.06 0.04 0.00 0.00 177.00 178.32 1bhi s PHE 7 N 2.06 2.57 -0.34 0.56 0.40 -0.31 -4.92 117.98 118.00 1bhi s PHE 7 Ca 0.71 -0.94 -0.21 0.00 -0.60 0.00 0.00 56.93 55.90 1bhi s PHE 7 Cb -0.40 -4.69 0.00 0.00 0.51 0.00 0.00 43.02 38.44 1bhi s PHE 7 CO 0.31 -1.91 0.66 -0.51 0.70 0.00 0.00 175.22 174.46 1bhi s LEU 8 N 4.84 4.20 -0.96 -0.37 1.43 -1.26 -1.58 118.68 124.98 1bhi s LEU 8 Ca 0.46 0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 53.59 1bhi s LEU 8 Cb 0.00 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 1bhi s LEU 8 CO -0.08 -0.58 1.76 0.00 0.23 0.00 0.00 176.35 177.68 1bhi n THR 10 N 7.49 0.60 -3.73 0.00 -1.04 -1.26 -4.09 114.28 112.25 1bhi n THR 10 Ca 0.38 -0.27 -0.10 0.00 -2.04 0.00 0.00 64.05 62.03 1bhi n THR 10 Cb 0.48 -2.41 -0.04 0.00 -1.82 0.00 0.00 70.33 66.54 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 5.98 -0.85 0.00 2.41 0.00 -1.00 -5.03 121.76 123.26 1bhi s ALA 11 Ca 0.94 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1bhi s ALA 11 Cb -0.40 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1bhi s ALA 11 CO 0.40 -0.75 0.56 -0.35 0.00 0.00 0.00 175.76 175.61 1bhi n PRO 12 N -0.30 0.00 -0.81 0.00 -0.04 -1.26 -3.87 135.00 128.71 1bhi n PRO 12 Ca -0.11 0.35 -0.16 0.00 -0.04 0.00 0.00 63.50 63.54 1bhi n PRO 12 Cb 0.63 -1.18 0.11 0.00 -0.04 0.00 0.00 33.50 33.02 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 0.18 3.71 3.63 0.55 0.00 -1.26 -4.85 105.19 107.16 1bhi n GLY 13 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 2.53 1.32 3.83 0.00 0.00 -1.26 -2.38 105.19 109.23 1bhi n GLY 15 Ca -0.13 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1bhi n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bhi s GLN 16 N -0.43 4.10 0.09 1.61 0.74 -1.26 -4.76 119.66 119.74 1bhi s GLN 16 Ca 0.25 1.08 0.09 0.00 0.05 0.00 0.00 55.36 56.83 1bhi s GLN 16 Cb 0.35 -2.16 -0.04 0.00 1.10 0.00 0.00 33.01 32.27 1bhi s GLN 16 CO -0.06 -0.15 -0.20 0.50 -0.55 0.00 0.00 175.29 174.84 1bhi s ARG 17 N -3.48 1.83 0.15 1.67 3.00 -1.26 -1.08 118.95 119.77 1bhi s ARG 17 Ca 0.61 -1.13 -0.03 0.00 -1.00 0.00 0.00 55.73 54.18 1bhi s ARG 17 Cb -0.10 -2.10 -0.03 0.00 0.00 0.00 0.00 34.95 32.72 1bhi s ARG 17 CO 0.20 0.50 0.12 -0.06 0.00 0.00 0.00 175.30 176.06 1bhi s PHE 18 N -1.04 0.77 -1.30 5.12 0.40 -0.61 -4.97 117.98 116.35 1bhi s PHE 18 Ca 0.16 -1.13 0.23 0.00 -0.60 0.00 0.00 56.93 55.59 1bhi s PHE 18 Cb -0.10 -0.38 0.19 0.00 0.51 0.00 0.00 43.02 43.23 1bhi s PHE 18 CO 0.07 -0.58 1.19 -2.37 0.70 0.00 0.00 175.22 174.24 1bhi n THR 19 N -0.14 0.00 -4.22 0.64 5.66 -1.26 -1.16 114.28 113.80 1bhi n THR 19 Ca -0.05 -0.06 -0.13 0.00 -3.05 0.00 0.00 64.05 60.76 1bhi n THR 19 Cb 0.64 0.72 -0.10 0.00 -1.55 0.00 0.00 70.33 70.04 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 -2.83 1.08 0.38 1.09 0.01 -1.26 -4.87 114.94 108.54 1bhi s ASN 20 Ca 0.13 -1.17 0.20 0.00 -0.71 0.00 0.00 52.86 51.32 1bhi s ASN 20 Cb 0.17 0.14 0.27 0.00 0.41 0.00 0.00 41.25 42.25 1bhi s ASN 20 CO 0.71 -0.59 1.56 -0.08 -1.51 0.00 0.00 177.10 177.20 1bhi h GLU 21 N 2.74 0.00 0.01 -0.60 4.22 -1.97 -3.22 114.58 115.76 1bhi h GLU 21 Ca -0.36 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.08 1bhi h GLU 21 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1bhi h GLU 21 CO 0.62 0.19 -0.01 0.22 -2.18 0.00 0.00 179.01 177.86 1bhi h ASP 22 N 0.00 -0.01 0.20 1.04 3.58 -1.99 0.33 116.42 119.57 1bhi h ASP 22 Ca -0.00 -0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.30 1bhi h ASP 22 Cb 1.13 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 1bhi h ASP 22 CO 0.02 0.04 -0.36 0.45 -2.88 0.00 0.00 179.24 176.51 1bhi h HIS 23 N -0.07 0.27 -0.22 0.28 -0.00 -2.00 -2.25 115.15 111.16 1bhi h HIS 23 Ca -0.00 -0.07 -0.13 0.00 -0.00 0.00 0.00 60.37 60.17 1bhi h HIS 23 Cb 0.06 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1bhi h HIS 23 CO -0.06 0.57 -0.42 1.25 -0.00 0.00 0.00 177.93 179.27 1bhi h LEU 24 N 0.20 0.56 0.87 2.43 5.85 -1.46 -2.43 115.31 121.33 1bhi h LEU 24 Ca 0.02 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1bhi h LEU 24 Cb 0.74 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.62 1bhi h LEU 24 CO 0.06 0.91 -0.42 0.00 -0.34 0.00 0.00 178.44 178.64 1bhi h ALA 25 N 1.12 -1.18 -0.80 1.25 0.00 0.25 0.26 119.26 120.16 1bhi h ALA 25 Ca 0.04 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1bhi h ALA 25 Cb 0.91 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1bhi h ALA 25 CO 0.08 -1.16 0.53 -0.39 0.00 0.00 0.00 179.25 178.31 1bhi h VAL 26 N -1.18 1.19 -0.35 0.00 -1.51 -1.57 0.58 116.25 113.42 1bhi h VAL 26 Ca -0.12 -0.37 -0.03 0.00 -1.23 0.00 0.00 66.70 64.96 1bhi h VAL 26 Cb 0.91 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 1bhi h VAL 26 CO 0.19 0.19 0.11 -0.74 -1.23 0.00 0.00 177.57 176.10 1bhi h HIS 27 N 1.07 0.56 -0.67 5.19 6.17 -1.22 -0.20 115.15 126.04 1bhi h HIS 27 Ca 0.30 -0.05 -0.07 0.00 0.71 0.00 0.00 60.37 61.25 1bhi h HIS 27 Cb -0.09 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 29.65 1bhi h HIS 27 CO -0.00 0.54 0.14 0.87 0.71 0.00 0.00 177.93 180.19 1bhi h LYS 28 N 0.41 1.09 -0.53 5.26 1.57 0.15 -2.48 116.57 122.04 1bhi h LYS 28 Ca 0.11 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1bhi h LYS 28 Cb 0.24 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1bhi h LYS 28 CO -0.00 0.98 0.14 1.25 -0.57 0.00 0.00 179.45 181.25 1bhi h HIS 29 N 1.01 0.81 -0.68 -1.35 2.76 -0.64 0.83 115.15 117.88 1bhi h HIS 29 Ca 0.21 -0.07 0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1bhi h HIS 29 Cb 0.40 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 1bhi h HIS 29 CO 0.03 0.68 0.45 -0.22 -1.30 0.00 0.00 177.93 177.57 1bhi h LYS 30 N 0.77 0.75 0.22 5.26 3.64 -0.58 0.09 116.57 126.72 1bhi h LYS 30 Ca 0.17 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1bhi h LYS 30 Cb 0.26 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1bhi h LYS 30 CO -0.01 0.50 -0.10 0.45 -2.27 0.00 0.00 179.45 178.02 1bhi h HIS 31 N 0.78 -0.27 -0.69 1.91 3.86 -1.12 -3.33 115.15 116.29 1bhi h HIS 31 Ca 0.28 -0.01 -0.62 0.00 -1.16 0.00 0.00 60.37 58.87 1bhi h HIS 31 Cb 0.14 0.09 -0.08 0.00 1.06 0.00 0.00 27.41 28.61 1bhi h HIS 31 CO -0.00 -0.04 2.14 -1.91 0.86 0.00 0.00 177.93 178.98 1bhi n GLU 32 N -4.96 3.68 -2.77 2.45 4.07 0.20 -4.69 120.64 118.62 1bhi n GLU 32 Ca -0.05 -2.64 -0.43 0.00 -0.06 0.00 0.00 57.16 53.98 1bhi n GLU 32 Cb 0.18 -2.52 -0.03 0.00 -0.06 0.00 0.00 31.44 29.01 1bhi n GLU 32 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 1bhi s MET 33 N -0.10 3.83 0.32 5.31 1.75 -0.01 -4.74 119.30 125.66 1bhi s MET 33 Ca 0.61 0.59 0.00 0.00 -1.25 0.00 0.00 55.69 55.64 1bhi s MET 33 Cb 0.23 -3.82 0.52 0.00 2.84 0.00 0.00 34.83 34.61 1bhi s MET 33 CO -0.10 -1.00 1.92 1.79 -0.65 0.00 0.00 175.02 176.98 1bhi h THR 34 N 5.87 1.20 0.20 10.11 1.35 -1.91 -1.70 112.91 128.02 1bhi h THR 34 Ca -0.23 -0.54 -0.01 0.00 -0.55 0.00 0.00 66.41 65.08 1bhi h THR 34 Cb 1.07 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1bhi h THR 34 CO 1.00 0.23 -0.10 0.25 -0.25 0.00 0.00 175.52 176.65 1bhi h LEU 35 N 0.84 -0.23 -6.14 3.87 7.12 -1.97 -3.42 115.31 115.39 1bhi h LEU 35 Ca 0.21 -0.03 -0.06 0.00 0.13 0.00 0.00 57.88 58.13 1bhi h LEU 35 Cb 0.08 0.06 -0.24 0.00 -0.53 0.00 0.00 40.66 40.03 1bhi h LEU 35 CO -0.03 -0.12 -0.44 -0.75 -0.13 0.00 0.00 178.44 176.97 1bhi s LYS 36 N -5.93 0.50 0.04 1.25 2.20 -1.06 -5.06 119.74 111.68 1bhi s LYS 36 Ca -0.15 0.41 -0.34 0.00 -0.36 0.00 0.00 55.97 55.53 1bhi s LYS 36 Cb 0.05 0.03 -0.19 0.00 -1.51 0.00 0.00 37.83 36.21 1bhi s LYS 36 CO 0.64 -1.01 1.42 0.35 -0.36 0.00 0.00 175.35 176.39 1bhi h PHE 37 N 8.07 -1.13 -0.01 4.03 3.04 -1.58 -3.41 116.94 125.94 1bhi h PHE 37 Ca -0.06 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.87 1bhi h PHE 37 Cb 1.16 0.37 0.00 0.00 2.56 0.00 0.00 35.95 40.04 1bhi h PHE 37 CO 0.25 -0.70 0.00 0.41 -2.02 0.00 0.00 178.31 176.25