#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ojh s LEU 7 N 0.00 4.38 0.97 -4.62 1.43 -1.26 -5.07 118.68 114.51 1ojh s LEU 7 Ca 0.00 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 53.86 1ojh s LEU 7 Cb 0.00 -2.61 0.17 0.00 0.03 0.00 0.00 46.19 43.78 1ojh s LEU 7 CO 0.00 0.18 1.10 -0.94 0.23 0.00 0.00 176.35 176.92 1ojh s SER 8 N -0.29 2.63 0.25 2.29 1.04 -1.26 -4.74 113.70 113.63 1ojh s SER 8 Ca 0.24 1.83 -0.03 0.00 0.48 0.00 0.00 55.95 58.47 1ojh s SER 8 Cb -0.16 -2.41 0.48 0.00 0.10 0.00 0.00 66.02 64.03 1ojh s SER 8 CO 0.11 -3.22 1.77 0.25 0.98 0.00 0.00 173.24 173.13 1ojh h LEU 9 N -1.95 0.50 -0.57 2.42 5.85 -1.99 -0.28 115.31 119.29 1ojh h LEU 9 Ca -0.49 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.33 1ojh h LEU 9 Cb 1.29 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 1ojh h LEU 9 CO 0.47 0.23 0.36 -0.33 -0.34 0.00 0.00 178.44 178.84 1ojh h GLU 10 N 0.61 0.71 -0.43 1.25 5.08 -1.98 0.14 114.58 119.96 1ojh h GLU 10 Ca 0.43 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1ojh h GLU 10 Cb 0.58 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1ojh h GLU 10 CO -0.34 0.47 0.13 1.96 -1.00 0.00 0.00 179.01 180.23 1ojh h GLN 11 N 0.73 0.67 -0.56 2.33 4.20 -1.75 0.13 115.11 120.85 1ojh h GLN 11 Ca 0.22 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 58.84 1ojh h GLN 11 Cb -0.03 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.60 1ojh h GLN 11 CO -0.07 0.66 0.28 1.96 -0.67 0.00 0.00 178.83 180.99 1ojh h GLN 12 N 0.55 0.52 0.00 1.46 4.20 -0.73 -1.82 115.11 119.29 1ojh h GLN 12 Ca 0.14 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1ojh h GLN 12 Cb 0.27 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1ojh h GLN 12 CO -0.00 0.34 -0.17 0.74 -0.67 0.00 0.00 178.83 179.07 1ojh h PHE 13 N 0.54 0.00 -0.36 2.96 0.04 -0.76 -2.18 116.94 117.17 1ojh h PHE 13 Ca 0.25 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.98 1ojh h PHE 13 Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1ojh h PHE 13 CO -0.10 0.17 0.05 0.66 -0.60 0.00 0.00 178.31 178.49 1ojh h SER 14 N 0.00 0.58 -0.60 2.17 4.64 -0.32 0.69 113.55 120.71 1ojh h SER 14 Ca -0.00 -0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1ojh h SER 14 Cb 1.09 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 1ojh h SER 14 CO 0.02 0.70 0.39 0.40 -0.87 0.00 0.00 176.83 177.48 1ojh h ILE 15 N 0.44 1.15 -0.50 0.95 2.04 -1.14 -0.14 117.51 120.30 1ojh h ILE 15 Ca 0.11 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1ojh h ILE 15 Cb 0.37 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1ojh h ILE 15 CO 0.01 0.15 0.20 -0.09 0.00 0.00 0.00 178.15 178.41 1ojh h ARG 16 N 0.80 0.75 -0.42 2.37 2.43 -1.15 -1.51 114.38 117.65 1ojh h ARG 16 Ca 0.22 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1ojh h ARG 16 Cb -0.08 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 1ojh h ARG 16 CO -0.05 0.67 0.14 1.03 -1.51 0.00 0.00 179.97 180.25 1ojh h SER 17 N 0.67 0.61 -0.81 -3.80 0.87 -0.67 -2.61 113.55 107.81 1ojh h SER 17 Ca 0.17 -0.20 0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1ojh h SER 17 Cb 0.20 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 61.93 1ojh h SER 17 CO -0.01 0.65 0.46 0.15 -0.53 0.00 0.00 176.83 177.55 1ojh h PHE 18 N 0.54 0.84 -0.58 2.24 3.57 -0.87 -1.40 116.94 121.28 1ojh h PHE 18 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1ojh h PHE 18 Cb 0.25 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1ojh h PHE 18 CO 0.01 0.35 0.23 0.00 -2.23 0.00 0.00 178.31 176.68 1ojh h ALA 19 N 1.44 1.32 -0.84 2.41 0.00 -0.92 0.12 119.26 122.79 1ojh h ALA 19 Ca 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ojh h ALA 19 Cb 0.34 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1ojh h ALA 19 CO -0.24 0.51 0.47 1.79 0.00 0.00 0.00 179.25 181.78 1ojh h THR 20 N 0.83 1.24 -0.18 0.00 1.35 -0.94 -1.05 112.91 114.16 1ojh h THR 20 Ca 0.20 -0.58 -0.09 0.00 -0.55 0.00 0.00 66.41 65.38 1ojh h THR 20 Cb 0.16 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 66.68 1ojh h THR 20 CO -0.02 0.27 -0.26 1.56 -0.25 0.00 0.00 175.52 176.82 1ojh h GLN 21 N 1.17 0.49 -0.83 4.72 1.08 -0.93 -2.78 115.11 118.04 1ojh h GLN 21 Ca 0.30 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1ojh h GLN 21 Cb 0.01 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 1ojh h GLN 21 CO -0.05 0.88 0.47 0.28 -0.95 0.00 0.00 178.83 179.46 1ojh h VAL 22 N 0.15 1.24 -0.69 -0.54 2.07 -0.85 -2.64 116.25 114.98 1ojh h VAL 22 Ca 0.02 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.03 1ojh h VAL 22 Cb 0.83 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1ojh h VAL 22 CO 0.06 0.26 0.45 -0.61 0.02 0.00 0.00 177.57 177.76 1ojh h GLN 23 N 1.15 0.68 -3.19 1.57 5.75 -1.04 -3.46 115.11 116.57 1ojh h GLN 23 Ca 0.29 -0.04 -0.74 0.00 -0.15 0.00 0.00 58.65 58.01 1ojh h GLN 23 Cb 0.01 -0.15 -0.11 0.00 1.07 0.00 0.00 27.48 28.29 1ojh h GLN 23 CO -0.05 0.45 2.46 0.09 -2.65 0.00 0.00 178.83 179.13 1ojh n ASN 24 N -4.48 6.37 -4.62 -0.69 3.02 -1.00 -5.11 115.26 108.75 1ojh n ASN 24 Ca 0.10 -3.04 -0.29 0.00 -0.03 0.00 0.00 54.58 51.32 1ojh n ASN 24 Cb 0.23 -1.46 -0.10 0.00 -0.61 0.00 0.00 39.78 37.84 1ojh n ASN 24 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ojh s SER 26 N 1.04 3.75 0.12 6.41 1.04 -1.26 -5.10 113.70 119.70 1ojh s SER 26 Ca 0.48 -1.48 -0.23 0.00 0.48 0.00 0.00 55.95 55.21 1ojh s SER 26 Cb 0.14 -0.02 -0.07 0.00 0.10 0.00 0.00 66.02 66.17 1ojh s SER 26 CO -0.05 -0.62 1.69 -0.74 0.98 0.00 0.00 173.24 174.50 1ojh h HIS 27 N 1.67 -0.26 -0.74 5.02 2.76 -1.99 -1.15 115.15 120.45 1ojh h HIS 27 Ca -0.43 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 57.70 1ojh h HIS 27 Cb 1.27 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 30.32 1ojh h HIS 27 CO 1.01 -0.16 0.27 -0.44 -1.30 0.00 0.00 177.93 177.32 1ojh h ASP 28 N -0.15 1.04 -0.68 3.26 3.32 -2.05 -2.47 116.42 118.69 1ojh h ASP 28 Ca 0.06 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 1ojh h ASP 28 Cb 0.23 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1ojh h ASP 28 CO -0.14 0.94 0.27 1.56 -1.72 0.00 0.00 179.24 180.14 1ojh h GLN 29 N 1.09 1.03 -0.69 3.56 4.20 -1.95 -2.33 115.11 120.02 1ojh h GLN 29 Ca 0.25 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1ojh h GLN 29 Cb 0.24 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1ojh h GLN 29 CO -0.02 0.86 0.14 0.00 -0.67 0.00 0.00 178.83 179.14 1ojh h ALA 30 N 1.12 0.94 -0.21 3.87 0.00 -0.94 -1.31 119.26 122.73 1ojh h ALA 30 Ca 0.23 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ojh h ALA 30 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ojh h ALA 30 CO -0.02 0.67 -0.06 0.87 0.00 0.00 0.00 179.25 180.71 1ojh h LYS 31 N 1.06 0.41 -0.61 0.00 1.57 -1.36 -1.58 116.57 116.07 1ojh h LYS 31 Ca 0.21 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1ojh h LYS 31 Cb 0.41 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1ojh h LYS 31 CO 0.01 0.66 0.34 -0.44 -0.57 0.00 0.00 179.45 179.45 1ojh h ASP 32 N 0.14 0.76 -0.26 0.86 3.45 -1.39 -2.85 116.42 117.13 1ojh h ASP 32 Ca 0.05 -0.09 -0.10 0.00 0.43 0.00 0.00 57.03 57.32 1ojh h ASP 32 Cb 0.51 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.08 1ojh h ASP 32 CO 0.02 0.63 -0.17 0.15 -1.57 0.00 0.00 179.24 178.30 1ojh h PHE 33 N 0.82 0.78 -0.71 4.55 3.57 -1.21 -2.81 116.94 121.93 1ojh h PHE 33 Ca 0.21 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1ojh h PHE 33 Cb 0.04 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1ojh h PHE 33 CO -0.01 0.82 0.45 1.25 -2.23 0.00 0.00 178.31 178.59 1ojh h LEU 34 N 0.63 0.75 -0.57 0.59 5.85 -1.05 0.37 115.31 121.87 1ojh h LEU 34 Ca 0.10 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 1ojh h LEU 34 Cb 0.64 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1ojh h LEU 34 CO 0.04 0.52 0.06 0.58 -0.34 0.00 0.00 178.44 179.30 1ojh h VAL 35 N 0.89 1.26 -0.61 1.05 2.07 -1.45 -1.12 116.25 118.34 1ojh h VAL 35 Ca 0.28 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1ojh h VAL 35 Cb -0.00 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1ojh h VAL 35 CO -0.10 0.38 0.26 0.11 0.02 0.00 0.00 177.57 178.23 1ojh h LYS 36 N 0.86 0.88 -0.34 1.57 1.57 -1.15 -1.98 116.57 117.98 1ojh h LYS 36 Ca 0.17 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1ojh h LYS 36 Cb 0.47 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1ojh h LYS 36 CO 0.02 0.71 -0.13 1.25 -0.57 0.00 0.00 179.45 180.73 1ojh h LEU 37 N 0.87 0.70 -0.62 2.94 5.85 0.21 -1.43 115.31 123.83 1ojh h LEU 37 Ca 0.21 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1ojh h LEU 37 Cb 0.15 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1ojh h LEU 37 CO -0.02 0.94 0.41 0.22 -0.34 0.00 0.00 178.44 179.65 1ojh h TYR 38 N 0.47 0.78 -0.63 1.25 3.20 -1.11 -2.35 116.97 118.57 1ojh h TYR 38 Ca 0.08 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.04 1ojh h TYR 38 Cb 0.66 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 1ojh h TYR 38 CO 0.06 0.49 0.31 1.49 -1.64 0.00 0.00 178.16 178.87 1ojh h GLU 39 N 0.84 0.56 -1.92 1.82 4.81 -1.10 -2.21 114.58 117.37 1ojh h GLU 39 Ca 0.23 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1ojh h GLU 39 Cb -0.09 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1ojh h GLU 39 CO -0.05 0.37 0.00 1.04 -0.73 0.00 0.00 179.01 179.63 1ojh n GLN 40 N -4.86 0.28 0.00 1.92 1.13 -0.56 -1.38 117.38 113.90 1ojh n GLN 40 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1ojh n GLN 40 Cb 0.20 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.19 1ojh n GLN 40 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1ojh n VAL 42 N 1.58 0.00 -0.09 5.09 0.31 -0.83 -0.86 118.33 123.54 1ojh n VAL 42 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1ojh n VAL 42 Cb 0.14 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.08 1ojh n VAL 42 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ojh h VAL 43 N 0.00 0.82 -0.33 2.52 2.07 -1.50 -1.02 116.25 118.81 1ojh h VAL 43 Ca 0.00 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 1ojh h VAL 43 Cb 0.00 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1ojh h VAL 43 CO 0.00 0.03 -0.24 0.03 0.02 0.00 0.00 177.57 177.40 1ojh h ARG 44 N 0.16 0.66 -0.18 1.57 3.08 -1.26 -0.23 114.38 118.17 1ojh h ARG 44 Ca 0.15 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1ojh h ARG 44 Cb 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1ojh h ARG 44 CO -0.21 0.84 0.10 1.49 -1.07 0.00 0.00 179.97 181.11 1ojh h GLU 45 N 0.57 0.26 -0.48 0.04 4.57 -1.73 -1.07 114.58 116.74 1ojh h GLU 45 Ca 0.08 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1ojh h GLU 45 Cb 0.72 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 1ojh h GLU 45 CO 0.06 0.27 0.23 0.00 -1.18 0.00 0.00 179.01 178.39 1ojh h ALA 46 N 0.98 1.50 -0.31 2.92 0.00 -1.02 -1.73 119.26 121.60 1ojh h ALA 46 Ca 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ojh h ALA 46 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ojh h ALA 46 CO -0.01 0.40 0.07 1.15 0.00 0.00 0.00 179.25 180.86 1ojh h THR 47 N 0.68 1.22 -0.33 0.00 2.02 -0.61 -2.09 112.91 113.80 1ojh h THR 47 Ca 0.17 -0.74 -0.12 0.00 0.77 0.00 0.00 66.41 66.50 1ojh h THR 47 Cb 0.07 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1ojh h THR 47 CO -0.02 0.25 -0.27 1.88 0.37 0.00 0.00 175.52 177.72 1ojh h TYR 48 N 0.35 0.77 -0.59 3.16 0.05 -0.94 -1.74 116.97 118.03 1ojh h TYR 48 Ca 0.10 -0.18 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 1ojh h TYR 48 Cb 0.30 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 1ojh h TYR 48 CO 0.02 0.87 0.20 1.96 -1.05 0.00 0.00 178.16 180.16 1ojh h GLN 49 N 0.58 0.87 -0.38 4.88 4.20 -1.28 -0.82 115.11 123.17 1ojh h GLN 49 Ca 0.07 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1ojh h GLN 49 Cb 0.76 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1ojh h GLN 49 CO 0.06 0.74 0.11 1.49 -0.67 0.00 0.00 178.83 180.56 1ojh h GLU 50 N 0.85 0.59 0.00 1.46 4.57 -1.07 -2.83 114.58 118.14 1ojh h GLU 50 Ca 0.20 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1ojh h GLU 50 Cb 0.22 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1ojh h GLU 50 CO -0.01 0.61 -0.22 -0.07 -1.18 0.00 0.00 179.01 178.13 1ojh h LEU 51 N 0.46 0.00 -1.79 1.64 3.38 -0.69 -1.13 115.31 117.17 1ojh h LEU 51 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ojh h LEU 51 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ojh h LEU 51 CO -0.00 0.22 -0.15 -0.07 0.09 0.00 0.00 178.44 178.53 1ojh h LEU 52 N 0.00 0.00 -1.47 1.67 3.38 -0.91 -1.98 115.31 115.99 1ojh h LEU 52 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ojh h LEU 52 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1ojh h LEU 52 CO 0.03 0.15 0.00 0.11 0.09 0.00 0.00 178.44 178.82 1ojh h LYS 53 N 0.00 0.00 -0.53 1.13 1.57 -1.18 -3.28 116.57 114.28 1ojh h LYS 53 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1ojh h LYS 53 Cb 0.34 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.57 1ojh h LYS 53 CO 0.02 0.00 0.12 0.72 -0.57 0.00 0.00 179.45 179.74 1ojh n HIS 54 N -3.00 1.77 0.73 -1.35 8.25 -0.74 -4.64 115.22 116.24 1ojh n HIS 54 Ca 0.01 -1.15 0.12 0.00 -0.26 0.00 0.00 57.72 56.43 1ojh n HIS 54 Cb 0.28 -0.54 0.48 0.00 1.12 0.00 0.00 29.99 31.34 1ojh n HIS 54 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ojh n GLN 55 N -0.39 0.07 -1.56 -0.41 6.02 -1.24 -3.21 117.38 116.67 1ojh n GLN 55 Ca 0.33 0.16 -0.26 0.00 -0.01 0.00 0.00 57.00 57.22 1ojh n GLN 55 Cb 1.18 -1.60 0.07 0.00 1.02 0.00 0.00 30.24 30.91 1ojh n GLN 55 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1ojh n TRP 56 N -1.72 2.73 -0.01 1.08 8.01 -1.26 -4.94 117.44 121.33 1ojh n TRP 56 Ca 0.05 -2.46 -0.03 0.00 -1.31 0.00 0.00 57.50 53.76 1ojh n TRP 56 Cb 0.30 -0.83 -0.02 0.00 -2.01 0.00 0.00 31.31 28.75 1ojh n TRP 56 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 1ojh h GLY 57 N 1.91 -1.60 0.00 6.99 0.00 -1.93 -3.55 103.07 104.89 1ojh h GLY 57 Ca 0.46 0.73 0.00 0.00 0.00 0.00 0.00 47.33 48.51 1ojh h GLY 57 CO 1.06 -0.57 0.00 1.47 0.00 0.00 0.00 176.54 178.50