#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obu s ALA 2 N 0.00 -0.18 0.20 -3.48 0.00 -1.26 -5.04 121.76 112.01 2obu s ALA 2 Ca 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.15 2obu s ALA 2 Cb 0.00 0.77 0.14 0.00 0.00 0.00 0.00 23.12 24.03 2obu s ALA 2 CO 0.00 -0.63 1.76 1.49 0.00 0.00 0.00 175.76 178.38 2obu h GLU 3 N 2.55 1.12 0.00 0.00 4.57 -2.08 -2.46 114.58 118.28 2obu h GLU 3 Ca -0.32 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 2obu h GLU 3 Cb 1.23 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 2obu h GLU 3 CO 0.49 0.92 0.48 0.78 -1.18 0.00 0.00 179.01 180.50 2obu h GLY 4 N 1.08 0.00 -0.78 1.92 0.00 -2.01 -2.49 103.07 100.79 2obu h GLY 4 Ca 0.25 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.81 2obu h GLY 4 CO -0.02 0.00 0.01 -0.84 0.00 0.00 0.00 176.54 175.69 2obu h THR 5 N 0.00 0.12 -0.66 4.70 2.02 -1.85 0.45 112.91 117.68 2obu h THR 5 Ca 0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 2obu h THR 5 Cb 0.96 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2obu h THR 5 CO 0.00 0.01 0.12 2.19 0.37 0.00 0.00 175.52 178.21 2obu h PHE 6 N 0.05 1.15 -0.11 3.16 -5.15 -1.70 -0.42 116.94 113.91 2obu h PHE 6 Ca 0.54 -0.15 0.00 0.00 -0.20 0.00 0.00 57.97 58.16 2obu h PHE 6 Cb 1.05 -0.32 -0.01 0.00 0.22 0.00 0.00 35.95 36.89 2obu h PHE 6 CO -0.49 0.96 0.07 0.82 -2.00 0.00 0.00 178.31 177.67 2obu h ILE 7 N 1.02 1.03 -0.26 0.88 2.04 -0.43 0.26 117.51 122.06 2obu h ILE 7 Ca 0.20 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 66.05 2obu h ILE 7 Cb 0.42 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2obu h ILE 7 CO 0.01 0.03 -0.01 -1.28 0.00 0.00 0.00 178.15 176.90 2obu h SER 8 N 0.14 -0.12 -0.94 1.72 0.87 -0.46 0.19 113.55 114.96 2obu h SER 8 Ca 0.04 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.72 2obu h SER 8 Cb -0.01 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.99 2obu h SER 8 CO -0.01 -0.03 0.60 -0.78 -0.53 0.00 0.00 176.83 176.08 2obu h ASP 9 N 0.07 0.97 -0.26 6.23 1.82 -0.50 0.13 116.42 124.87 2obu h ASP 9 Ca 0.12 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.70 2obu h ASP 9 Cb 0.16 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 2obu h ASP 9 CO -0.21 0.63 -0.11 0.22 -1.61 0.00 0.00 179.24 178.15 2obu h TYR 10 N 1.11 0.62 -0.28 0.28 3.20 0.76 0.18 116.97 122.84 2obu h TYR 10 Ca 0.40 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 2obu h TYR 10 Cb 0.13 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2obu h TYR 10 CO -0.01 0.78 0.01 1.03 -1.64 0.00 0.00 178.16 178.33 2obu h SER 11 N 0.27 0.47 -0.24 -2.11 0.87 -0.30 0.20 113.55 112.72 2obu h SER 11 Ca 0.06 -0.30 0.03 0.00 -1.23 0.00 0.00 61.79 60.35 2obu h SER 11 Cb 0.61 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 2obu h SER 11 CO 0.04 0.66 0.04 0.40 -0.53 0.00 0.00 176.83 177.43 2obu h ILE 12 N 0.28 0.88 -0.55 2.23 1.08 -0.73 -1.43 117.51 119.27 2obu h ILE 12 Ca 0.08 -0.04 0.05 0.00 -0.39 0.00 0.00 64.86 64.56 2obu h ILE 12 Cb 0.41 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 34.85 2obu h ILE 12 CO 0.01 0.02 0.27 0.00 -0.69 0.00 0.00 178.15 177.76 2obu h ALA 13 N 1.18 0.70 -0.36 1.87 0.00 -0.29 0.26 119.26 122.62 2obu h ALA 13 Ca 0.11 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2obu h ALA 13 Cb 0.11 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2obu h ALA 13 CO -0.15 -0.09 -0.00 1.98 0.00 0.00 0.00 179.25 180.99 2obu h MET 14 N 0.51 0.09 -0.31 0.00 1.85 0.29 0.82 114.93 118.18 2obu h MET 14 Ca 0.25 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.31 2obu h MET 14 Cb 0.18 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 2obu h MET 14 CO -0.19 0.06 0.11 0.22 -0.40 0.00 0.00 176.91 176.72 2obu h ASP 15 N 0.10 0.44 1.04 1.39 1.82 -0.56 -2.95 116.42 117.69 2obu h ASP 15 Ca 0.18 -0.19 -0.02 0.00 -0.39 0.00 0.00 57.03 56.60 2obu h ASP 15 Cb 0.25 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.14 2obu h ASP 15 CO -0.30 0.51 -0.12 0.50 -1.61 0.00 0.00 179.24 178.23 2obu h LYS 16 N 0.35 0.00 0.10 0.28 3.11 0.54 -2.96 116.57 117.98 2obu h LYS 16 Ca 0.10 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.94 2obu h LYS 16 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 2obu h LYS 16 CO -0.01 0.12 -0.05 0.82 -2.81 0.00 0.00 179.45 177.53 2obu h ILE 17 N 0.00 1.13 -0.97 2.00 2.04 0.79 0.24 117.51 122.74 2obu h ILE 17 Ca -0.00 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 64.92 2obu h ILE 17 Cb 0.67 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.43 2obu h ILE 17 CO 0.02 0.23 0.64 1.12 0.00 0.00 0.00 178.15 180.15 2obu h HIS 18 N -0.59 1.20 0.30 1.37 2.07 -1.52 0.29 115.15 118.28 2obu h HIS 18 Ca -0.01 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.52 2obu h HIS 18 Cb 0.48 -0.40 0.00 0.00 2.57 0.00 0.00 27.41 30.06 2obu h HIS 18 CO 0.07 0.72 -0.15 0.37 -3.07 0.00 0.00 177.93 175.88 2obu h GLN 19 N 1.26 -0.39 -0.51 5.12 4.15 -1.44 -1.00 115.11 122.30 2obu h GLN 19 Ca 0.37 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.81 2obu h GLN 19 Cb -0.07 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2obu h GLN 19 CO -0.10 -0.15 0.29 0.37 -1.93 0.00 0.00 178.83 177.30 2obu h GLN 20 N -0.58 0.71 -0.63 1.69 5.75 -0.07 0.20 115.11 122.18 2obu h GLN 20 Ca -0.04 -0.08 0.07 0.00 -0.15 0.00 0.00 58.65 58.45 2obu h GLN 20 Cb 0.42 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.77 2obu h GLN 20 CO 0.07 0.54 0.32 0.22 -2.65 0.00 0.00 178.83 177.33 2obu h ASP 21 N 0.68 0.44 -0.52 -0.69 1.82 -0.40 0.44 116.42 118.19 2obu h ASP 21 Ca 0.18 0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.74 2obu h ASP 21 Cb 0.04 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 2obu h ASP 21 CO -0.03 0.28 -0.14 0.15 -1.61 0.00 0.00 179.24 177.89 2obu h PHE 22 N 0.58 1.15 0.38 0.28 3.57 -0.10 0.16 116.94 122.98 2obu h PHE 22 Ca 0.29 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2obu h PHE 22 Cb 0.24 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.70 2obu h PHE 22 CO -0.10 1.08 -0.18 0.28 -2.23 0.00 0.00 178.31 177.15 2obu h VAL 23 N 0.90 0.60 -0.96 1.41 2.07 0.02 0.01 116.25 120.30 2obu h VAL 23 Ca 0.13 -0.40 0.23 0.00 0.82 0.00 0.00 66.70 67.48 2obu h VAL 23 Cb 0.71 0.80 -0.12 0.00 -1.52 0.00 0.00 31.29 31.16 2obu h VAL 23 CO 0.05 0.07 0.52 0.78 0.02 0.00 0.00 177.57 179.02 2obu h ASN 24 N -0.75 0.57 -0.38 0.57 4.21 -0.08 0.41 115.58 120.13 2obu h ASN 24 Ca -0.05 0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 2obu h ASN 24 Cb 0.51 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.76 2obu h ASN 24 CO 0.09 0.09 0.20 -0.25 -1.29 0.00 0.00 177.43 176.27 2obu h TRP 25 N 0.54 0.52 -0.63 1.19 7.01 -0.20 0.18 115.95 124.57 2obu h TRP 25 Ca 0.61 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.65 2obu h TRP 25 Cb 1.12 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.96 2obu h TRP 25 CO -0.05 0.41 0.33 -0.07 -2.79 0.00 0.00 178.44 176.27 2obu h LEU 26 N 0.48 0.47 -0.42 0.65 3.38 0.16 0.50 115.31 120.54 2obu h LEU 26 Ca 0.13 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2obu h LEU 26 Cb 0.07 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2obu h LEU 26 CO -0.02 0.31 0.21 -0.07 0.09 0.00 0.00 178.44 178.95 2obu h LEU 27 N 0.61 0.30 -1.42 1.67 3.38 0.09 0.73 115.31 120.68 2obu h LEU 27 Ca 0.29 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2obu h LEU 27 Cb 0.21 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2obu h LEU 27 CO -0.19 0.22 0.14 0.00 0.09 0.00 0.00 178.44 178.69 2obu h ALA 28 N 1.22 1.54 -0.13 1.53 0.00 0.32 0.22 119.26 123.96 2obu h ALA 28 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2obu h ALA 28 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2obu h ALA 28 CO -0.12 0.35 0.01 0.94 0.00 0.00 0.00 179.25 180.43 2obu n GLN 29 N -4.38 1.78 0.05 0.00 -0.06 0.17 -3.30 117.38 111.65 2obu n GLN 29 Ca 0.02 -0.68 0.00 0.00 -2.00 0.00 0.00 57.00 54.35 2obu n GLN 29 Cb 0.15 -1.62 0.00 0.00 -4.06 0.00 0.00 30.24 24.71 2obu n GLN 29 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 2obu n LYS 30 N 0.14 0.00 -0.30 3.69 2.85 -0.75 -4.61 118.16 119.17 2obu n LYS 30 Ca 0.07 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.41 2obu n LYS 30 Cb 0.49 0.00 0.24 0.00 -0.65 0.00 0.00 35.03 35.10 2obu n LYS 30 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2obu h GLY 31 N 0.00 1.40 0.00 2.58 0.00 -0.81 0.83 103.07 107.07 2obu h GLY 31 Ca 0.00 -0.23 -0.36 0.00 0.00 0.00 0.00 47.33 46.74 2obu h GLY 31 CO 0.00 -0.08 -2.11 0.28 0.00 0.00 0.00 176.54 174.63 2obu n LYS 32 N -4.90 0.57 -0.26 4.80 4.01 -1.26 -4.02 118.16 117.11 2obu n LYS 32 Ca 0.18 0.29 0.07 0.00 -0.51 0.00 0.00 58.31 58.34 2obu n LYS 32 Cb 0.47 -1.51 0.20 0.00 -0.51 0.00 0.00 35.03 33.68 2obu n LYS 32 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2obu h LYS 33 N -1.00 0.36 -0.10 1.97 1.63 -1.58 -1.35 116.57 116.50 2obu h LYS 33 Ca -0.54 -0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.10 2obu h LYS 33 Cb 1.46 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 33.00 2obu h LYS 33 CO -0.33 0.24 -0.54 -0.97 -3.45 0.00 0.00 179.45 174.40 2obu h ASN 34 N 0.37 0.31 -0.89 4.20 -1.24 -1.05 0.45 115.58 117.72 2obu h ASN 34 Ca 0.44 -0.16 0.25 0.00 0.71 0.00 0.00 56.30 57.53 2obu h ASN 34 Cb 0.72 -0.09 -0.17 0.00 0.73 0.00 0.00 38.32 39.52 2obu h ASN 34 CO -0.46 0.79 0.03 -0.67 -1.29 0.00 0.00 177.43 175.83 2obu n ASP 35 N -3.92 -0.09 -0.10 1.15 -0.08 -0.51 -1.20 116.55 111.80 2obu n ASP 35 Ca -0.02 1.51 -0.22 0.00 -1.51 0.00 0.00 54.79 54.55 2obu n ASP 35 Cb 0.58 -0.56 -0.12 0.00 2.34 0.00 0.00 41.12 43.36 2obu n ASP 35 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 2obu n TRP 36 N -5.29 0.44 -2.85 -0.67 2.14 -1.21 -5.08 117.44 104.92 2obu n TRP 36 Ca 0.21 0.12 -0.07 0.00 2.07 0.00 0.00 57.50 59.83 2obu n TRP 36 Cb 0.70 -1.05 0.01 0.00 -0.81 0.00 0.00 31.31 30.16 2obu n TRP 36 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 2obu n LYS 37 N -3.69 -2.56 0.04 -2.67 3.00 0.14 -4.97 118.16 107.45 2obu n LYS 37 Ca -0.43 2.22 0.00 0.00 -0.00 0.00 0.00 58.31 60.10 2obu n LYS 37 Cb 0.94 -5.52 0.00 0.00 0.00 0.00 0.00 35.03 30.45 2obu n LYS 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2obu n HIS 38 N -0.12 -2.50 -0.41 5.64 -0.00 -1.26 -4.93 115.22 111.64 2obu n HIS 38 Ca 0.09 0.29 0.34 0.00 0.46 0.00 0.00 57.72 58.91 2obu n HIS 38 Cb 0.39 1.06 0.64 0.00 -0.12 0.00 0.00 29.99 31.96 2obu n HIS 38 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 2obu h ASN 39 N 0.00 0.23 -2.33 0.26 -0.73 -1.91 -3.39 115.58 107.72 2obu h ASN 39 Ca 0.00 0.08 -0.56 0.00 1.87 0.00 0.00 56.30 57.69 2obu h ASN 39 Cb 0.00 0.06 0.03 0.00 0.27 0.00 0.00 38.32 38.68 2obu h ASN 39 CO 0.00 -0.05 1.09 -0.38 -0.37 0.00 0.00 177.43 177.72 2obu n ILE 40 N -4.50 0.44 -1.38 2.57 5.41 -1.26 -4.66 119.36 115.98 2obu n ILE 40 Ca 0.32 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.99 2obu n ILE 40 Cb 1.29 -2.03 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 2obu n ILE 40 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2obu n THR 41 N 4.80 0.00 0.00 1.39 5.66 -1.26 -5.13 114.28 119.73 2obu n THR 41 Ca 0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 2obu n THR 41 Cb 0.35 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 2obu n THR 41 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69