#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obu n ALA 2 N 0.00 -1.11 -0.31 -3.48 0.00 -1.26 -3.68 120.51 110.66 2obu n ALA 2 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.71 2obu n ALA 2 Cb 0.00 -0.47 0.17 0.00 0.00 0.00 0.00 19.45 19.15 2obu n ALA 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2obu h GLU 3 N -0.42 1.19 -0.52 0.00 4.57 -2.08 -2.43 114.58 114.90 2obu h GLU 3 Ca -0.06 -0.07 0.15 0.00 -1.18 0.00 0.00 59.36 58.20 2obu h GLU 3 Cb 0.41 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2obu h GLU 3 CO 0.02 0.79 0.77 0.78 -1.18 0.00 0.00 179.01 180.19 2obu h GLY 4 N 1.23 0.00 -0.92 1.92 0.00 -2.01 -2.65 103.07 100.63 2obu h GLY 4 Ca 0.33 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.84 2obu h GLY 4 CO -0.07 0.00 -0.23 2.41 0.00 0.00 0.00 176.54 178.64 2obu n THR 5 N -3.26 -0.39 -0.13 4.70 -1.04 -0.92 -0.13 114.28 113.10 2obu n THR 5 Ca 0.11 2.10 -0.13 0.00 -2.04 0.00 0.00 64.05 64.09 2obu n THR 5 Cb 0.95 -2.90 -0.02 0.00 -1.82 0.00 0.00 70.33 66.55 2obu n THR 5 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 2obu h PHE 6 N 0.00 1.12 -0.25 -1.42 -5.15 -1.75 -0.74 116.94 108.75 2obu h PHE 6 Ca 0.43 -0.31 0.03 0.00 -0.20 0.00 0.00 57.97 57.92 2obu h PHE 6 Cb 0.66 -0.25 -0.03 0.00 0.22 0.00 0.00 35.95 36.56 2obu h PHE 6 CO -0.71 1.13 0.07 0.82 -2.00 0.00 0.00 178.31 177.63 2obu h ILE 7 N 0.78 0.92 -0.34 0.88 1.08 -0.72 0.35 117.51 120.47 2obu h ILE 7 Ca 0.08 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.51 2obu h ILE 7 Cb 0.90 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 2obu h ILE 7 CO 0.08 0.03 0.17 -1.28 -0.69 0.00 0.00 178.15 176.46 2obu h SER 8 N 0.18 0.25 -0.89 1.72 0.87 -0.44 0.17 113.55 115.41 2obu h SER 8 Ca 0.11 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2obu h SER 8 Cb 0.09 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 2obu h SER 8 CO -0.12 0.19 0.59 -0.78 -0.53 0.00 0.00 176.83 176.18 2obu h ASP 9 N 0.35 1.02 -0.23 6.23 1.82 -0.53 0.19 116.42 125.27 2obu h ASP 9 Ca 0.14 -0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.66 2obu h ASP 9 Cb 0.05 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 39.80 2obu h ASP 9 CO -0.09 0.74 -0.21 0.22 -1.61 0.00 0.00 179.24 178.28 2obu h TYR 10 N 1.20 0.66 -0.23 0.28 3.20 0.75 0.20 116.97 123.04 2obu h TYR 10 Ca 0.33 -0.20 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 2obu h TYR 10 Cb -0.14 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2obu h TYR 10 CO -0.00 0.88 -0.13 1.03 -1.64 0.00 0.00 178.16 178.30 2obu h SER 11 N 0.26 0.52 -0.25 -2.11 0.87 -0.51 0.23 113.55 112.56 2obu h SER 11 Ca 0.04 -0.42 0.03 0.00 -1.23 0.00 0.00 61.79 60.20 2obu h SER 11 Cb 0.76 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2obu h SER 11 CO 0.05 0.83 0.09 0.40 -0.53 0.00 0.00 176.83 177.67 2obu h ILE 12 N 0.21 0.94 -0.58 2.23 2.04 -0.62 -0.23 117.51 121.49 2obu h ILE 12 Ca 0.05 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2obu h ILE 12 Cb 0.64 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 2obu h ILE 12 CO 0.04 0.04 0.23 0.00 0.00 0.00 0.00 178.15 178.45 2obu h ALA 13 N 1.16 0.75 -0.43 1.87 0.00 -0.43 0.42 119.26 122.59 2obu h ALA 13 Ca 0.11 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2obu h ALA 13 Cb 0.08 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2obu h ALA 13 CO -0.11 -0.17 0.06 1.98 0.00 0.00 0.00 179.25 181.01 2obu h MET 14 N 0.42 0.18 -0.61 0.00 1.85 0.42 0.85 114.93 118.04 2obu h MET 14 Ca 0.29 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.34 2obu h MET 14 Cb 0.32 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.29 2obu h MET 14 CO -0.27 0.12 0.26 0.22 -0.40 0.00 0.00 176.91 176.84 2obu h ASP 15 N 0.19 0.83 1.52 1.39 3.58 0.25 -2.99 116.42 121.19 2obu h ASP 15 Ca 0.21 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2obu h ASP 15 Cb 0.28 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2obu h ASP 15 CO -0.30 0.76 0.00 0.50 -2.88 0.00 0.00 179.24 177.32 2obu h LYS 16 N 0.85 0.00 -0.03 0.28 1.63 0.12 -3.13 116.57 116.29 2obu h LYS 16 Ca 0.21 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 2obu h LYS 16 Cb 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2obu h LYS 16 CO -0.02 0.00 -0.07 0.82 -3.45 0.00 0.00 179.45 176.73 2obu h ILE 17 N 0.00 1.46 -0.79 2.00 2.04 0.81 0.17 117.51 123.20 2obu h ILE 17 Ca 0.00 -1.48 -0.00 0.00 1.00 0.00 0.00 64.86 64.38 2obu h ILE 17 Cb 0.76 2.39 -0.04 0.00 -0.74 0.00 0.00 36.82 39.19 2obu h ILE 17 CO 0.00 0.40 0.49 1.12 0.00 0.00 0.00 178.15 180.15 2obu h HIS 18 N -0.47 1.03 0.40 1.37 2.07 -1.61 0.23 115.15 118.18 2obu h HIS 18 Ca -0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 2obu h HIS 18 Cb 0.68 -0.34 0.00 0.00 2.57 0.00 0.00 27.41 30.33 2obu h HIS 18 CO 0.13 0.69 -0.19 0.37 -3.07 0.00 0.00 177.93 175.85 2obu h GLN 19 N 1.08 -0.52 -0.53 5.12 4.15 -1.52 0.66 115.11 123.55 2obu h GLN 19 Ca 0.28 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.79 2obu h GLN 19 Cb -0.06 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 2obu h GLN 19 CO -0.05 -0.25 0.27 0.37 -1.93 0.00 0.00 178.83 177.23 2obu h GLN 20 N -0.73 0.50 -0.67 1.69 4.15 -0.45 0.29 115.11 119.90 2obu h GLN 20 Ca -0.06 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.38 2obu h GLN 20 Cb 0.51 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.04 2obu h GLN 20 CO 0.09 0.33 0.39 0.22 -1.93 0.00 0.00 178.83 177.93 2obu h ASP 21 N 0.52 0.60 -0.38 -0.69 3.58 -0.45 0.20 116.42 119.80 2obu h ASP 21 Ca 0.24 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.60 2obu h ASP 21 Cb 0.15 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2obu h ASP 21 CO -0.17 0.40 -0.15 0.15 -2.88 0.00 0.00 179.24 176.60 2obu h PHE 22 N 0.73 0.94 0.54 0.28 3.57 0.81 0.67 116.94 124.48 2obu h PHE 22 Ca 0.29 -0.19 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2obu h PHE 22 Cb 0.12 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.63 2obu h PHE 22 CO -0.07 0.93 -0.26 0.28 -2.23 0.00 0.00 178.31 176.97 2obu h VAL 23 N 0.75 0.23 -0.14 1.41 2.07 0.19 -1.24 116.25 119.53 2obu h VAL 23 Ca 0.12 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.23 2obu h VAL 23 Cb 0.67 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2obu h VAL 23 CO 0.05 0.04 0.10 -0.55 0.02 0.00 0.00 177.57 177.23 2obu h ASN 24 N -1.08 0.00 -0.30 0.57 7.08 -0.61 0.23 115.58 121.46 2obu h ASN 24 Ca -0.07 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.13 2obu h ASN 24 Cb 0.62 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.84 2obu h ASN 24 CO 0.12 0.00 0.13 -0.25 -2.08 0.00 0.00 177.43 175.35 2obu h TRP 25 N 0.00 0.45 -0.12 4.14 7.01 -0.74 0.17 115.95 126.86 2obu h TRP 25 Ca 0.06 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 2obu h TRP 25 Cb 0.26 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 2obu h TRP 25 CO 0.00 0.43 0.04 -0.07 -2.79 0.00 0.00 178.44 176.05 2obu h LEU 26 N 0.35 0.17 -0.58 0.65 3.38 0.47 0.24 115.31 120.00 2obu h LEU 26 Ca 0.10 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2obu h LEU 26 Cb 0.16 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2obu h LEU 26 CO -0.01 0.30 0.32 -0.07 0.09 0.00 0.00 178.44 179.08 2obu h LEU 27 N 0.03 0.49 0.12 1.67 3.38 -0.54 -0.79 115.31 119.67 2obu h LEU 27 Ca 0.04 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2obu h LEU 27 Cb 0.19 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2obu h LEU 27 CO -0.00 0.34 -0.17 0.00 0.09 0.00 0.00 178.44 178.69 2obu h ALA 28 N 1.29 -0.31 -0.55 1.53 0.00 -0.53 -0.34 119.26 120.35 2obu h ALA 28 Ca 0.25 -0.03 -0.73 0.00 0.00 0.00 0.00 54.91 54.39 2obu h ALA 28 Cb 0.10 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 2obu h ALA 28 CO -0.14 -0.70 2.62 0.94 0.00 0.00 0.00 179.25 181.96 2obu n GLN 29 N -5.30 4.05 0.13 0.00 7.27 0.06 -3.58 117.38 120.01 2obu n GLN 29 Ca -0.07 -3.20 0.00 0.00 0.07 0.00 0.00 57.00 53.80 2obu n GLN 29 Cb 0.22 -2.79 0.00 0.00 2.41 0.00 0.00 30.24 30.08 2obu n GLN 29 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2obu n LYS 30 N 2.96 0.00 -0.22 3.69 4.81 -0.86 -4.79 118.16 123.75 2obu n LYS 30 Ca 0.58 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.99 2obu n LYS 30 Cb 0.29 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.42 2obu n LYS 30 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2obu h GLY 31 N 0.00 0.91 -2.41 3.14 0.00 -1.20 -2.65 103.07 100.87 2obu h GLY 31 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 2obu h GLY 31 CO 0.00 0.18 0.08 0.58 0.00 0.00 0.00 176.54 177.38 2obu n LYS 32 N -4.78 2.78 -0.09 4.80 -0.00 -1.23 -4.51 118.16 115.12 2obu n LYS 32 Ca 0.07 -3.02 -0.13 0.00 -0.00 0.00 0.00 58.31 55.23 2obu n LYS 32 Cb 0.14 -1.96 -0.06 0.00 -0.00 0.00 0.00 35.03 33.16 2obu n LYS 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2obu n LYS 33 N -0.64 0.51 -0.14 -1.58 0.00 -1.00 -0.83 118.16 114.49 2obu n LYS 33 Ca 0.32 0.47 0.10 0.00 0.00 0.00 0.00 58.31 59.19 2obu n LYS 33 Cb 1.11 -1.65 0.43 0.00 0.00 0.00 0.00 35.03 34.92 2obu n LYS 33 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2obu h ASN 34 N -1.00 0.52 -0.10 3.14 2.35 -1.82 -0.48 115.58 118.18 2obu h ASN 34 Ca -0.18 0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.39 2obu h ASN 34 Cb 0.93 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 39.21 2obu h ASN 34 CO -0.11 0.32 -0.68 0.44 -1.65 0.00 0.00 177.43 175.75 2obu h ASP 35 N 0.58 0.77 -6.73 5.81 5.19 -1.79 -3.44 116.42 116.80 2obu h ASP 35 Ca 0.31 -0.66 -0.55 0.00 -0.62 0.00 0.00 57.03 55.51 2obu h ASP 35 Cb 0.44 -0.23 -0.11 0.00 0.18 0.00 0.00 39.33 39.61 2obu h ASP 35 CO -0.10 1.31 -0.93 -2.67 -3.12 0.00 0.00 179.24 173.74 2obu n TRP 36 N -4.08 -1.49 -4.05 4.55 4.27 -0.01 -1.31 117.44 115.32 2obu n TRP 36 Ca -0.08 0.66 -0.35 0.00 -3.89 0.00 0.00 57.50 53.84 2obu n TRP 36 Cb 0.70 -3.34 -0.02 0.00 -1.36 0.00 0.00 31.31 27.29 2obu n TRP 36 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 2obu n LYS 37 N -4.49 -0.56 0.20 -2.67 0.00 -1.25 -4.69 118.16 104.69 2obu n LYS 37 Ca -0.31 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.01 2obu n LYS 37 Cb 0.69 -2.38 0.00 0.00 -0.00 0.00 0.00 35.03 33.34 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 -4.33 -4.14 -0.31 5.58 -0.00 -0.43 -4.91 115.22 106.68 2obu n HIS 38 Ca -0.17 1.28 0.08 0.00 -0.00 0.00 0.00 57.72 58.91 2obu n HIS 38 Cb 0.52 3.17 0.29 0.00 -0.00 0.00 0.00 29.99 33.97 2obu n HIS 38 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.34 175.37 2obu h ASN 39 N 0.00 0.82 -0.67 0.26 -1.24 -1.73 -3.43 115.58 109.60 2obu h ASN 39 Ca 0.00 0.04 -0.52 0.00 0.71 0.00 0.00 56.30 56.53 2obu h ASN 39 Cb 0.00 -0.13 0.04 0.00 0.73 0.00 0.00 38.32 38.96 2obu h ASN 39 CO 0.00 0.45 -0.02 0.00 -1.29 0.00 0.00 177.43 176.57 2obu n ILE 40 N -4.57 0.20 -2.82 2.57 3.06 -1.26 -4.89 119.36 111.64 2obu n ILE 40 Ca 0.17 -0.05 -0.30 0.00 -2.50 0.00 0.00 62.75 60.08 2obu n ILE 40 Cb 0.36 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.52 2obu n ILE 40 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2obu s THR 41 N -0.10 4.82 -2.82 9.51 -4.23 -1.26 -5.11 115.64 116.46 2obu s THR 41 Ca 0.58 0.51 0.25 0.00 -1.18 0.00 0.00 61.69 61.86 2obu s THR 41 Cb -0.82 -3.76 0.32 0.00 1.34 0.00 0.00 72.50 69.59 2obu s THR 41 CO 0.38 -0.58 1.44 1.67 -0.54 0.00 0.00 174.62 176.99