#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ojh s GLU 6 N 0.00 4.21 0.56 6.28 2.12 -1.26 -4.99 118.70 125.62 1ojh s GLU 6 Ca 0.00 2.42 -0.18 0.00 0.36 0.00 0.00 54.97 57.57 1ojh s GLU 6 Cb 0.00 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.31 1ojh s GLU 6 CO 0.00 -0.44 1.11 -0.51 -0.54 0.00 0.00 175.26 174.88 1ojh s LEU 7 N -1.34 3.68 0.84 2.70 1.43 -1.26 -5.04 118.68 119.69 1ojh s LEU 7 Ca 0.55 2.10 -0.10 0.00 -1.03 0.00 0.00 54.13 55.64 1ojh s LEU 7 Cb -0.44 -4.57 0.10 0.00 0.03 0.00 0.00 46.19 41.31 1ojh s LEU 7 CO 0.53 -1.25 1.11 -0.94 0.23 0.00 0.00 176.35 176.03 1ojh s SER 8 N -2.00 3.78 0.40 2.29 1.04 -1.26 -4.79 113.70 113.16 1ojh s SER 8 Ca 0.71 1.93 0.08 0.00 0.48 0.00 0.00 55.95 59.14 1ojh s SER 8 Cb -0.22 -2.51 0.85 0.00 0.10 0.00 0.00 66.02 64.24 1ojh s SER 8 CO 0.30 -2.51 2.02 -0.07 0.98 0.00 0.00 173.24 173.95 1ojh h LEU 9 N -1.46 0.51 -0.42 2.42 -0.00 -1.98 -0.15 115.31 114.23 1ojh h LEU 9 Ca -0.44 -0.01 -0.18 0.00 -0.00 0.00 0.00 57.88 57.25 1ojh h LEU 9 Cb 1.25 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1ojh h LEU 9 CO 0.48 0.35 -0.66 -0.33 -0.00 0.00 0.00 178.44 178.29 1ojh h GLU 10 N 0.60 0.53 -0.50 1.13 3.07 -1.99 -0.91 114.58 116.51 1ojh h GLU 10 Ca 0.21 -0.39 -0.11 0.00 -0.50 0.00 0.00 59.36 58.58 1ojh h GLU 10 Cb 0.11 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 1ojh h GLU 10 CO -0.06 1.01 -0.12 1.96 -1.40 0.00 0.00 179.01 180.40 1ojh h GLN 11 N 0.38 0.97 -0.72 2.33 4.20 -1.76 -2.07 115.11 118.44 1ojh h GLN 11 Ca -0.02 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.31 1ojh h GLN 11 Cb 1.23 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 1ojh h GLN 11 CO 0.12 1.04 0.39 1.96 -0.67 0.00 0.00 178.83 181.67 1ojh h GLN 12 N 0.82 1.01 -0.48 1.46 4.20 -0.94 -1.66 115.11 119.52 1ojh h GLN 12 Ca 0.13 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1ojh h GLN 12 Cb 0.69 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1ojh h GLN 12 CO 0.05 0.76 0.05 0.35 -0.67 0.00 0.00 178.83 179.36 1ojh h PHE 13 N 0.99 0.87 -0.87 2.96 3.57 -1.05 -0.59 116.94 122.83 1ojh h PHE 13 Ca 0.25 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1ojh h PHE 13 Cb 0.05 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 1ojh h PHE 13 CO -0.00 0.82 0.45 0.66 -2.23 0.00 0.00 178.31 178.01 1ojh h SER 14 N 0.67 1.11 -0.29 0.41 4.64 -1.26 0.22 113.55 119.06 1ojh h SER 14 Ca 0.14 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.23 1ojh h SER 14 Cb 0.44 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1ojh h SER 14 CO 0.02 0.91 -0.26 0.40 -0.87 0.00 0.00 176.83 177.03 1ojh h ILE 15 N 1.23 1.30 -0.66 0.95 2.04 -1.08 -2.01 117.51 119.28 1ojh h ILE 15 Ca 0.30 -1.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.68 1ojh h ILE 15 Cb 0.07 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1ojh h ILE 15 CO -0.04 0.45 0.14 0.03 0.00 0.00 0.00 178.15 178.73 1ojh h ARG 16 N 0.44 1.06 -0.48 2.37 3.08 -0.97 0.47 114.38 120.34 1ojh h ARG 16 Ca 0.05 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 1ojh h ARG 16 Cb 0.82 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1ojh h ARG 16 CO 0.07 0.95 0.23 0.77 -1.07 0.00 0.00 179.97 180.92 1ojh h SER 17 N 1.01 0.63 -0.86 7.04 0.02 -0.96 -2.24 113.55 118.19 1ojh h SER 17 Ca 0.21 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1ojh h SER 17 Cb 0.38 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1ojh h SER 17 CO 0.01 0.58 0.49 0.15 -1.14 0.00 0.00 176.83 176.92 1ojh h PHE 18 N 0.64 1.16 -0.59 3.45 3.57 -1.09 -2.13 116.94 121.95 1ojh h PHE 18 Ca 0.17 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1ojh h PHE 18 Cb 0.12 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 1ojh h PHE 18 CO -0.01 0.79 0.39 0.00 -2.23 0.00 0.00 178.31 177.26 1ojh h ALA 19 N 1.26 1.57 -0.42 2.41 0.00 -0.60 -0.90 119.26 122.58 1ojh h ALA 19 Ca 0.30 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1ojh h ALA 19 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ojh h ALA 19 CO -0.05 0.40 -0.00 1.15 0.00 0.00 0.00 179.25 180.74 1ojh h THR 20 N 0.81 1.26 -0.51 0.00 2.02 -0.99 -0.99 112.91 114.50 1ojh h THR 20 Ca 0.22 -1.03 0.04 0.00 0.77 0.00 0.00 66.41 66.41 1ojh h THR 20 Cb -0.09 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1ojh h THR 20 CO -0.05 0.35 0.28 1.56 0.37 0.00 0.00 175.52 178.03 1ojh h GLN 21 N 0.58 0.53 -0.60 6.66 4.20 -0.73 -2.24 115.11 123.51 1ojh h GLN 21 Ca 0.12 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 1ojh h GLN 21 Cb 0.49 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1ojh h GLN 21 CO 0.02 0.35 0.12 0.28 -0.67 0.00 0.00 178.83 178.93 1ojh h VAL 22 N 0.54 1.26 -0.98 -0.54 2.07 -0.98 -2.36 116.25 115.25 1ojh h VAL 22 Ca 0.22 -0.96 0.13 0.00 0.82 0.00 0.00 66.70 66.91 1ojh h VAL 22 Cb 0.09 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 30.49 1ojh h VAL 22 CO -0.13 0.36 0.60 -0.61 0.02 0.00 0.00 177.57 177.81 1ojh h GLN 23 N 0.89 0.89 -3.68 1.57 4.15 -0.87 -3.44 115.11 114.62 1ojh h GLN 23 Ca 0.19 -0.05 -0.71 0.00 0.77 0.00 0.00 58.65 58.84 1ojh h GLN 23 Cb 0.39 -0.20 -0.05 0.00 0.21 0.00 0.00 27.48 27.83 1ojh h GLN 23 CO 0.01 0.59 3.08 0.09 -1.93 0.00 0.00 178.83 180.66 1ojh n ASN 24 N -4.67 5.15 -4.62 -0.69 3.02 -0.87 -5.09 115.26 107.49 1ojh n ASN 24 Ca 0.19 -2.84 -0.25 0.00 -0.03 0.00 0.00 54.58 51.65 1ojh n ASN 24 Cb 0.39 -1.60 -0.09 0.00 -0.61 0.00 0.00 39.78 37.87 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 2.53 4.11 0.16 6.41 1.04 -1.26 -5.09 113.70 121.58 1ojh s SER 26 Ca 0.50 -1.03 -0.17 0.00 0.48 0.00 0.00 55.95 55.73 1ojh s SER 26 Cb 0.14 -0.50 0.08 0.00 0.10 0.00 0.00 66.02 65.84 1ojh s SER 26 CO -0.07 -0.24 1.70 -0.74 0.98 0.00 0.00 173.24 174.87 1ojh h HIS 27 N 1.84 -0.04 -0.51 5.02 2.76 -1.98 -0.65 115.15 121.58 1ojh h HIS 27 Ca -0.43 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1ojh h HIS 27 Cb 1.25 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.26 1ojh h HIS 27 CO 0.71 -0.08 0.31 -0.44 -1.30 0.00 0.00 177.93 177.14 1ojh h ASP 28 N 0.09 0.61 -0.81 3.26 3.32 -2.04 -0.63 116.42 120.23 1ojh h ASP 28 Ca 0.17 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1ojh h ASP 28 Cb 0.24 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1ojh h ASP 28 CO -0.30 0.49 0.53 1.56 -1.72 0.00 0.00 179.24 179.79 1ojh h GLN 29 N 0.69 1.07 -0.47 3.56 4.20 -1.95 -1.65 115.11 120.56 1ojh h GLN 29 Ca 0.18 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 1ojh h GLN 29 Cb -0.02 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 1ojh h GLN 29 CO -0.04 0.72 0.12 0.00 -0.67 0.00 0.00 178.83 178.96 1ojh h ALA 30 N 1.29 0.62 -0.23 3.87 0.00 -0.72 -1.34 119.26 122.75 1ojh h ALA 30 Ca 0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ojh h ALA 30 Cb -0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ojh h ALA 30 CO -0.06 0.31 0.14 0.87 0.00 0.00 0.00 179.25 180.51 1ojh h LYS 31 N 0.64 0.30 -0.58 0.00 1.57 -0.95 -0.07 116.57 117.48 1ojh h LYS 31 Ca 0.15 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1ojh h LYS 31 Cb 0.32 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1ojh h LYS 31 CO 0.00 0.23 0.36 0.22 -0.57 0.00 0.00 179.45 179.70 1ojh h ASP 32 N 0.29 0.61 -0.49 0.86 3.58 -1.19 -2.16 116.42 117.91 1ojh h ASP 32 Ca 0.08 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 1ojh h ASP 32 Cb 0.00 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 1ojh h ASP 32 CO -0.02 0.43 0.19 0.15 -2.88 0.00 0.00 179.24 177.11 1ojh h PHE 33 N 0.73 0.76 -0.69 0.28 3.04 -1.06 -2.64 116.94 117.37 1ojh h PHE 33 Ca 0.23 -0.06 -0.02 0.00 3.98 0.00 0.00 57.97 62.09 1ojh h PHE 33 Cb -0.02 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.23 1ojh h PHE 33 CO -0.05 0.65 0.34 1.25 -2.02 0.00 0.00 178.31 178.47 1ojh h LEU 34 N 0.66 0.89 -0.57 0.59 5.85 -0.79 0.12 115.31 122.06 1ojh h LEU 34 Ca 0.16 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ojh h LEU 34 Cb 0.22 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1ojh h LEU 34 CO -0.01 0.77 0.30 0.58 -0.34 0.00 0.00 178.44 179.74 1ojh h VAL 35 N 0.95 1.20 -0.53 1.05 2.07 -1.28 -0.97 116.25 118.74 1ojh h VAL 35 Ca 0.24 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1ojh h VAL 35 Cb 0.11 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1ojh h VAL 35 CO -0.03 0.22 0.13 0.11 0.02 0.00 0.00 177.57 178.02 1ojh h LYS 36 N 0.77 0.84 -0.50 1.57 1.57 -1.16 -2.22 116.57 117.44 1ojh h LYS 36 Ca 0.20 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1ojh h LYS 36 Cb 0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1ojh h LYS 36 CO -0.03 0.80 0.22 1.25 -0.57 0.00 0.00 179.45 181.12 1ojh h LEU 37 N 0.74 0.67 -0.33 2.94 5.85 -0.60 -1.07 115.31 123.50 1ojh h LEU 37 Ca 0.17 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1ojh h LEU 37 Cb 0.33 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1ojh h LEU 37 CO 0.00 0.63 0.08 0.22 -0.34 0.00 0.00 178.44 179.04 1ojh h TYR 38 N 0.66 0.15 -0.43 1.25 5.03 -1.16 -2.59 116.97 119.88 1ojh h TYR 38 Ca 0.17 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.56 1ojh h TYR 38 Cb 0.16 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.36 1ojh h TYR 38 CO -0.00 0.05 0.09 1.49 -1.32 0.00 0.00 178.16 178.47 1ojh h GLU 39 N 0.21 0.22 -1.21 1.82 4.81 -1.21 -0.79 114.58 118.42 1ojh h GLU 39 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1ojh h GLU 39 Cb 0.15 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1ojh h GLU 39 CO -0.18 0.15 0.00 1.04 -0.73 0.00 0.00 179.01 179.29 1ojh n GLN 40 N -5.09 0.00 0.00 1.92 6.02 -0.42 -1.35 117.38 118.46 1ojh n GLN 40 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1ojh n GLN 40 Cb 0.20 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.21 1ojh n GLN 40 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ojh n VAL 42 N 0.77 0.00 -0.18 5.09 0.31 -0.30 -0.83 118.33 123.19 1ojh n VAL 42 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1ojh n VAL 42 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 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 1.24 -0.26 2.52 2.07 -1.48 -1.41 116.25 118.92 1ojh h VAL 43 Ca 0.00 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1ojh h VAL 43 Cb 0.00 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1ojh h VAL 43 CO 0.00 0.31 0.15 0.03 0.02 0.00 0.00 177.57 178.07 1ojh h ARG 44 N 0.70 0.37 -0.98 1.57 3.08 -1.23 -0.82 114.38 117.07 1ojh h ARG 44 Ca 0.16 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1ojh h ARG 44 Cb 0.33 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1ojh h ARG 44 CO 0.00 0.32 0.64 0.93 -1.07 0.00 0.00 179.97 180.79 1ojh h GLU 45 N 0.32 1.25 -0.59 0.04 4.39 -1.77 -0.41 114.58 117.81 1ojh h GLU 45 Ca 0.09 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1ojh h GLU 45 Cb 0.05 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 1ojh h GLU 45 CO -0.02 0.83 0.05 0.00 -1.16 0.00 0.00 179.01 178.71 1ojh h ALA 46 N 1.38 0.98 -0.37 3.43 0.00 -0.94 -2.06 119.26 121.67 1ojh h ALA 46 Ca 0.37 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1ojh h ALA 46 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1ojh h ALA 46 CO -0.10 0.63 0.04 1.15 0.00 0.00 0.00 179.25 180.98 1ojh h THR 47 N 0.92 1.25 -0.64 0.00 2.02 -0.60 -2.00 112.91 113.85 1ojh h THR 47 Ca 0.18 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.49 1ojh h THR 47 Cb 0.46 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1ojh h THR 47 CO 0.02 0.30 0.40 0.22 0.37 0.00 0.00 175.52 176.83 1ojh h TYR 48 N 0.45 0.76 -0.53 3.16 3.20 -1.00 -0.65 116.97 122.36 1ojh h TYR 48 Ca 0.11 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1ojh h TYR 48 Cb 0.39 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1ojh h TYR 48 CO 0.03 0.45 0.23 1.96 -1.64 0.00 0.00 178.16 179.19 1ojh h GLN 49 N 0.81 0.76 -0.27 1.82 1.08 -1.08 -0.95 115.11 117.27 1ojh h GLN 49 Ca 0.25 -0.10 -0.19 0.00 -1.45 0.00 0.00 58.65 57.16 1ojh h GLN 49 Cb -0.03 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 1ojh h GLN 49 CO -0.08 0.61 -0.57 0.93 -0.95 0.00 0.00 178.83 178.76 1ojh h GLU 50 N 0.76 0.86 0.00 1.46 4.39 -0.93 -3.01 114.58 118.11 1ojh h GLU 50 Ca 0.19 -0.57 -0.03 0.00 0.34 0.00 0.00 59.36 59.28 1ojh h GLU 50 Cb 0.12 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1ojh h GLU 50 CO -0.02 1.20 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.79 1ojh h LEU 51 N 0.64 0.00 -0.71 1.33 3.38 -0.56 -2.79 115.31 116.60 1ojh h LEU 51 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1ojh h LEU 51 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1ojh h LEU 51 CO 0.13 0.16 -0.46 -0.07 0.09 0.00 0.00 178.44 178.29 1ojh h LEU 52 N 0.00 0.47 0.48 1.67 3.38 -1.06 -3.28 115.31 116.97 1ojh h LEU 52 Ca -0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1ojh h LEU 52 Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ojh h LEU 52 CO 0.02 0.86 -0.23 0.11 0.09 0.00 0.00 178.44 179.29 1ojh h LYS 53 N 0.35 -0.62 0.00 1.13 1.57 -1.45 -3.52 116.57 114.03 1ojh h LYS 53 Ca 0.02 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1ojh h LYS 53 Cb 0.95 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1ojh h LYS 53 CO 0.08 -0.41 0.00 0.72 -0.57 0.00 0.00 179.45 179.27