#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ojh s SER 8 N 0.00 2.87 0.24 -1.43 1.04 -1.26 -4.75 113.70 110.40 1ojh s SER 8 Ca 0.00 1.93 -0.07 0.00 0.48 0.00 0.00 55.95 58.29 1ojh s SER 8 Cb 0.00 -2.47 0.22 0.00 0.10 0.00 0.00 66.02 63.87 1ojh s SER 8 CO 0.00 -3.09 1.88 -0.07 0.98 0.00 0.00 173.24 172.95 1ojh h LEU 9 N -1.86 1.11 -1.09 2.42 3.38 -2.05 -0.35 115.31 116.87 1ojh h LEU 9 Ca -0.47 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 1ojh h LEU 9 Cb 1.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1ojh h LEU 9 CO 0.46 0.85 0.23 -0.33 0.09 0.00 0.00 178.44 179.74 1ojh h GLU 10 N 1.27 0.87 0.01 1.13 3.07 -1.99 -0.34 114.58 118.61 1ojh h GLU 10 Ca 0.33 -0.14 -0.27 0.00 -0.50 0.00 0.00 59.36 58.78 1ojh h GLU 10 Cb -0.06 -0.15 0.02 0.00 -0.84 0.00 0.00 28.75 27.72 1ojh h GLU 10 CO -0.06 0.72 -1.07 1.96 -1.40 0.00 0.00 179.01 179.16 1ojh h GLN 11 N 0.85 0.68 -0.71 2.33 4.20 -1.84 -1.83 115.11 118.80 1ojh h GLN 11 Ca 0.20 -0.75 0.03 0.00 0.06 0.00 0.00 58.65 58.19 1ojh h GLN 11 Cb 0.18 0.22 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 1ojh h GLN 11 CO -0.02 1.32 0.44 1.96 -0.67 0.00 0.00 178.83 181.87 1ojh h GLN 12 N 0.37 0.83 -0.21 1.46 4.20 -0.87 -1.01 115.11 119.88 1ojh h GLN 12 Ca -0.13 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.41 1ojh h GLN 12 Cb 1.72 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.30 1ojh h GLN 12 CO 0.21 0.55 -0.36 0.74 -0.67 0.00 0.00 178.83 179.30 1ojh h PHE 13 N 0.85 0.53 -0.34 2.96 0.04 -1.03 -1.45 116.94 118.50 1ojh h PHE 13 Ca 0.29 -0.14 -0.16 0.00 2.80 0.00 0.00 57.97 60.76 1ojh h PHE 13 Cb 0.04 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1ojh h PHE 13 CO -0.04 0.76 -0.42 0.66 -0.60 0.00 0.00 178.31 178.67 1ojh h SER 14 N 0.39 0.93 -0.24 2.17 4.64 -0.94 -1.30 113.55 119.20 1ojh h SER 14 Ca 0.04 -0.44 -0.04 0.00 -0.47 0.00 0.00 61.79 60.89 1ojh h SER 14 Cb 0.81 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1ojh h SER 14 CO 0.07 1.22 0.00 0.40 -0.87 0.00 0.00 176.83 177.65 1ojh h ILE 15 N 0.70 1.25 -0.82 0.95 2.04 -0.98 -1.13 117.51 119.52 1ojh h ILE 15 Ca 0.05 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.05 1ojh h ILE 15 Cb 1.00 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1ojh h ILE 15 CO 0.10 0.28 0.54 -0.09 0.00 0.00 0.00 178.15 178.97 1ojh h ARG 16 N 0.21 1.03 -0.52 2.37 9.65 -1.23 -0.55 114.38 125.34 1ojh h ARG 16 Ca 0.07 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.81 1ojh h ARG 16 Cb 0.40 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1ojh h ARG 16 CO 0.01 0.68 0.02 0.77 2.80 0.00 0.00 179.97 184.25 1ojh h SER 17 N 1.06 0.83 -0.80 -3.80 0.02 -1.04 -2.28 113.55 107.53 1ojh h SER 17 Ca 0.32 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1ojh h SER 17 Cb -0.04 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 1ojh h SER 17 CO -0.10 0.88 0.35 0.15 -1.14 0.00 0.00 176.83 176.98 1ojh h PHE 18 N 0.81 1.19 -0.39 3.45 3.57 -0.77 -1.64 116.94 123.16 1ojh h PHE 18 Ca 0.16 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1ojh h PHE 18 Cb 0.46 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1ojh h PHE 18 CO 0.03 0.88 0.13 0.00 -2.23 0.00 0.00 178.31 177.11 1ojh h ALA 19 N 1.19 1.49 -0.50 2.41 0.00 -0.68 -0.41 119.26 122.75 1ojh h ALA 19 Ca 0.27 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1ojh h ALA 19 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ojh h ALA 19 CO -0.03 0.39 0.07 1.15 0.00 0.00 0.00 179.25 180.83 1ojh h THR 20 N 0.56 1.25 -0.82 0.00 2.02 -1.08 -0.60 112.91 114.25 1ojh h THR 20 Ca 0.13 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 66.38 1ojh h THR 20 Cb 0.17 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1ojh h THR 20 CO -0.01 0.34 0.53 -0.61 0.37 0.00 0.00 175.52 176.14 1ojh h GLN 21 N 0.71 1.02 -0.64 6.66 4.15 -0.63 -2.39 115.11 124.00 1ojh h GLN 21 Ca 0.15 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.46 1ojh h GLN 21 Cb 0.42 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 1ojh h GLN 21 CO 0.01 0.68 0.19 0.28 -1.93 0.00 0.00 178.83 178.06 1ojh h VAL 22 N 1.05 1.25 -0.00 2.39 2.07 -0.83 -1.93 116.25 120.25 1ojh h VAL 22 Ca 0.32 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1ojh h VAL 22 Cb -0.04 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1ojh h VAL 22 CO -0.10 0.33 0.00 -0.61 0.02 0.00 0.00 177.57 177.22 1ojh h GLN 23 N 0.93 0.00 -3.51 1.57 4.15 -0.74 -3.45 115.11 114.06 1ojh h GLN 23 Ca 0.21 0.00 -0.77 0.00 0.77 0.00 0.00 58.65 58.86 1ojh h GLN 23 Cb 0.30 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 27.81 1ojh h GLN 23 CO -0.01 0.00 1.71 0.09 -1.93 0.00 0.00 178.83 178.69 1ojh n ASN 24 N -4.38 5.36 -4.78 -0.69 3.02 -0.73 -5.10 115.26 107.96 1ojh n ASN 24 Ca -0.03 -3.15 -0.22 0.00 -0.03 0.00 0.00 54.58 51.15 1ojh n ASN 24 Cb 0.09 -1.45 -0.05 0.00 -0.61 0.00 0.00 39.78 37.77 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 0.55 5.09 0.19 6.41 1.04 -1.26 -5.07 113.70 120.66 1ojh s SER 26 Ca 0.38 -0.51 -0.12 0.00 0.48 0.00 0.00 55.95 56.19 1ojh s SER 26 Cb 0.07 -1.03 0.19 0.00 0.10 0.00 0.00 66.02 65.35 1ojh s SER 26 CO 0.02 -0.19 1.78 -0.74 0.98 0.00 0.00 173.24 175.09 1ojh h HIS 27 N 1.50 0.48 -0.38 5.02 2.76 -1.99 -0.08 115.15 122.46 1ojh h HIS 27 Ca -0.46 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 57.68 1ojh h HIS 27 Cb 1.25 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 1ojh h HIS 27 CO 0.59 0.21 0.01 -0.44 -1.30 0.00 0.00 177.93 177.00 1ojh h ASP 28 N 0.51 0.65 -0.73 3.26 3.32 -2.04 -1.54 116.42 119.85 1ojh h ASP 28 Ca 0.26 -0.30 0.07 0.00 0.02 0.00 0.00 57.03 57.08 1ojh h ASP 28 Cb 0.20 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 1ojh h ASP 28 CO -0.20 0.79 0.41 1.56 -1.72 0.00 0.00 179.24 180.08 1ojh h GLN 29 N 0.49 0.70 -0.56 3.56 4.20 -1.94 -1.36 115.11 120.20 1ojh h GLN 29 Ca 0.11 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1ojh h GLN 29 Cb 0.45 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1ojh h GLN 29 CO 0.02 0.47 0.09 0.00 -0.67 0.00 0.00 178.83 178.74 1ojh h ALA 30 N 1.39 0.75 -0.20 3.87 0.00 -0.66 -0.27 119.26 124.13 1ojh h ALA 30 Ca 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ojh h ALA 30 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ojh h ALA 30 CO -0.21 0.49 0.09 0.87 0.00 0.00 0.00 179.25 180.49 1ojh h LYS 31 N 0.83 0.30 -0.72 0.00 1.57 -1.12 -0.33 116.57 117.11 1ojh h LYS 31 Ca 0.17 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1ojh h LYS 31 Cb 0.41 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1ojh h LYS 31 CO 0.01 0.35 0.46 -0.44 -0.57 0.00 0.00 179.45 179.26 1ojh h ASP 32 N 0.18 0.84 -0.40 0.86 3.32 -1.07 -2.06 116.42 118.09 1ojh h ASP 32 Ca 0.07 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1ojh h ASP 32 Cb 0.16 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1ojh h ASP 32 CO -0.01 0.63 0.01 0.15 -1.72 0.00 0.00 179.24 178.30 1ojh h PHE 33 N 0.98 0.77 -0.64 4.55 3.04 -0.85 -2.56 116.94 122.21 1ojh h PHE 33 Ca 0.26 -0.13 0.02 0.00 3.98 0.00 0.00 57.97 62.10 1ojh h PHE 33 Cb -0.08 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.19 1ojh h PHE 33 CO -0.02 0.78 0.40 1.25 -2.02 0.00 0.00 178.31 178.70 1ojh h LEU 34 N 0.54 0.67 -0.58 0.59 5.85 -0.83 0.93 115.31 122.47 1ojh h LEU 34 Ca 0.11 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1ojh h LEU 34 Cb 0.47 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1ojh h LEU 34 CO 0.02 0.47 0.22 0.58 -0.34 0.00 0.00 178.44 179.38 1ojh h VAL 35 N 0.80 1.23 -0.77 1.05 2.07 -1.32 -0.65 116.25 118.67 1ojh h VAL 35 Ca 0.25 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1ojh h VAL 35 Cb -0.00 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1ojh h VAL 35 CO -0.09 0.28 0.37 0.11 0.02 0.00 0.00 177.57 178.26 1ojh h LYS 36 N 0.80 1.10 -0.26 1.57 1.57 -1.16 -1.60 116.57 118.59 1ojh h LYS 36 Ca 0.19 -0.16 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 1ojh h LYS 36 Cb 0.23 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1ojh h LYS 36 CO -0.01 0.85 -0.55 1.25 -0.57 0.00 0.00 179.45 180.42 1ojh h LEU 37 N 1.08 0.93 -0.26 2.94 5.85 -0.61 -1.06 115.31 124.18 1ojh h LEU 37 Ca 0.26 -0.55 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1ojh h LEU 37 Cb 0.11 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1ojh h LEU 37 CO -0.03 1.31 -0.01 0.22 -0.34 0.00 0.00 178.44 179.59 1ojh h TYR 38 N 0.60 -0.02 -0.67 1.25 3.20 -1.03 -2.57 116.97 117.73 1ojh h TYR 38 Ca 0.01 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.98 1ojh h TYR 38 Cb 1.16 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 39.41 1ojh h TYR 38 CO 0.08 -0.05 0.33 1.49 -1.64 0.00 0.00 178.16 178.37 1ojh h GLU 39 N 0.07 0.57 -1.38 1.82 4.81 -1.14 -1.30 114.58 118.02 1ojh h GLU 39 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1ojh h GLU 39 Cb 0.16 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1ojh h GLU 39 CO -0.21 0.38 0.00 0.94 -0.73 0.00 0.00 179.01 179.38 1ojh n GLN 40 N -4.87 0.01 0.00 1.92 7.27 -0.42 -1.35 117.38 119.95 1ojh n GLN 40 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1ojh n GLN 40 Cb 0.24 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.55 1ojh n GLN 40 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ojh n VAL 42 N 0.84 0.00 -0.12 1.69 0.31 -0.49 -0.88 118.33 119.68 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 0.01 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 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 1.19 -0.22 2.52 2.07 -1.48 -1.12 116.25 119.22 1ojh h VAL 43 Ca 0.00 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1ojh h VAL 43 Cb 0.00 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1ojh h VAL 43 CO 0.00 0.21 0.13 0.03 0.02 0.00 0.00 177.57 177.97 1ojh h ARG 44 N 0.44 0.31 -0.38 1.57 3.08 -1.26 -0.76 114.38 117.38 1ojh h ARG 44 Ca 0.12 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.19 1ojh h ARG 44 Cb 0.20 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 1ojh h ARG 44 CO -0.01 0.26 0.11 0.93 -1.07 0.00 0.00 179.97 180.19 1ojh h GLU 45 N 0.27 0.24 -0.68 0.04 4.39 -1.79 -0.02 114.58 117.04 1ojh h GLU 45 Ca 0.08 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1ojh h GLU 45 Cb 0.03 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1ojh h GLU 45 CO -0.01 0.16 0.17 0.00 -1.16 0.00 0.00 179.01 178.17 1ojh h ALA 46 N 1.26 1.03 -0.51 3.43 0.00 -0.99 -0.88 119.26 122.59 1ojh h ALA 46 Ca 0.18 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1ojh h ALA 46 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ojh h ALA 46 CO -0.20 0.64 0.02 1.15 0.00 0.00 0.00 179.25 180.86 1ojh h THR 47 N 1.01 1.26 -0.51 0.00 2.02 -0.82 -1.81 112.91 114.07 1ojh h THR 47 Ca 0.22 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1ojh h THR 47 Cb 0.34 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1ojh h THR 47 CO -0.00 0.37 0.19 0.22 0.37 0.00 0.00 175.52 176.67 1ojh h TYR 48 N 0.76 0.79 -0.93 3.16 3.20 -0.70 -0.92 116.97 122.34 1ojh h TYR 48 Ca 0.15 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1ojh h TYR 48 Cb 0.49 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 1ojh h TYR 48 CO 0.04 0.66 0.59 1.96 -1.64 0.00 0.00 178.16 179.77 1ojh h GLN 49 N 0.68 1.24 -0.39 1.82 1.08 -0.90 0.50 115.11 119.15 1ojh h GLN 49 Ca 0.17 -0.09 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1ojh h GLN 49 Cb 0.22 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1ojh h GLN 49 CO -0.01 0.85 -0.04 1.49 -0.95 0.00 0.00 178.83 180.17 1ojh h GLU 50 N 1.27 0.71 -0.62 1.46 4.81 -0.92 -2.57 114.58 118.72 1ojh h GLU 50 Ca 0.34 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1ojh h GLU 50 Cb -0.10 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1ojh h GLU 50 CO -0.07 0.83 0.09 -0.07 -0.73 0.00 0.00 179.01 179.06 1ojh h LEU 51 N 0.53 0.98 -0.52 1.64 3.38 -0.72 -2.62 115.31 117.98 1ojh h LEU 51 Ca 0.10 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.91 1ojh h LEU 51 Cb 0.53 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1ojh h LEU 51 CO 0.03 0.99 0.20 0.25 0.09 0.00 0.00 178.44 179.99 1ojh h LEU 52 N 0.96 0.22 0.07 1.67 6.46 -0.78 -2.91 115.31 121.00 1ojh h LEU 52 Ca 0.19 0.06 -0.25 0.00 -0.12 0.00 0.00 57.88 57.75 1ojh h LEU 52 Cb 0.43 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1ojh h LEU 52 CO 0.01 0.15 -1.22 0.07 -0.62 0.00 0.00 178.44 176.83 1ojh h LYS 53 N 0.39 0.14 -0.09 1.25 2.10 -1.25 -2.81 116.57 116.30 1ojh h LYS 53 Ca 0.25 -0.25 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 1ojh h LYS 53 Cb 0.26 0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1ojh h LYS 53 CO -0.24 1.07 0.06 1.25 -2.00 0.00 0.00 179.45 179.59 1ojh h HIS 54 N 0.04 0.03 0.00 0.07 2.76 -1.48 -3.20 115.15 113.37 1ojh h HIS 54 Ca -0.11 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1ojh h HIS 54 Cb 1.90 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.85 1ojh h HIS 54 CO 0.03 0.02 0.00 1.04 -1.30 0.00 0.00 177.93 177.72 1ojh n GLN 55 N -4.52 0.00 0.00 5.26 1.13 -1.07 -5.12 117.38 113.06 1ojh n GLN 55 Ca -0.01 0.49 0.16 0.00 -1.94 0.00 0.00 57.00 55.70 1ojh n GLN 55 Cb 0.15 -1.30 0.85 0.00 0.11 0.00 0.00 30.24 30.06 1ojh n GLN 55 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53