#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 3.53 0.25 -3.48 0.00 -1.26 -4.98 121.76 115.81 2obu s ALA 2 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 2obu s ALA 2 Cb 0.00 -2.49 0.28 0.00 0.00 0.00 0.00 23.12 20.91 2obu s ALA 2 CO 0.00 0.48 1.90 1.49 0.00 0.00 0.00 175.76 179.63 2obu h GLU 3 N 2.56 1.19 0.00 0.00 4.57 -2.08 -2.08 114.58 118.75 2obu h GLU 3 Ca -0.47 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 2obu h GLU 3 Cb 1.17 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 2obu h GLU 3 CO 0.68 0.79 0.19 0.41 -1.18 0.00 0.00 179.01 179.91 2obu n GLY 4 N -1.36 -0.51 0.39 1.92 0.00 -1.26 -2.31 105.19 102.06 2obu n GLY 4 Ca 0.12 0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.39 2obu n GLY 4 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2obu h THR 5 N 0.00 0.63 -0.33 2.61 1.35 -1.78 0.18 112.91 115.57 2obu h THR 5 Ca 0.00 -0.18 -0.16 0.00 -0.55 0.00 0.00 66.41 65.52 2obu h THR 5 Cb 0.39 0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 66.86 2obu h THR 5 CO 0.00 0.10 -0.41 2.19 -0.25 0.00 0.00 175.52 177.15 2obu h PHE 6 N 0.53 1.04 -0.28 4.73 -5.15 -1.72 -0.94 116.94 115.14 2obu h PHE 6 Ca 0.56 -0.33 0.03 0.00 -0.20 0.00 0.00 57.97 58.02 2obu h PHE 6 Cb 1.21 -0.21 -0.03 0.00 0.22 0.00 0.00 35.95 37.14 2obu h PHE 6 CO -0.00 1.14 0.11 0.82 -2.00 0.00 0.00 178.31 178.38 2obu h ILE 7 N 0.64 0.94 -0.24 0.88 1.08 -1.07 0.40 117.51 120.14 2obu h ILE 7 Ca 0.04 -0.08 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2obu h ILE 7 Cb 1.01 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 2obu h ILE 7 CO 0.10 0.04 0.08 -1.28 -0.69 0.00 0.00 178.15 176.41 2obu h SER 8 N 0.24 0.10 -0.80 1.72 0.87 -0.61 0.14 113.55 115.21 2obu h SER 8 Ca 0.12 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2obu h SER 8 Cb 0.08 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 2obu h SER 8 CO -0.12 0.09 0.46 -0.78 -0.53 0.00 0.00 176.83 175.94 2obu h ASP 9 N 0.20 0.99 -0.44 6.23 1.82 -0.59 0.11 116.42 124.74 2obu h ASP 9 Ca 0.11 -0.08 -0.09 0.00 -0.39 0.00 0.00 57.03 56.58 2obu h ASP 9 Cb 0.07 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 2obu h ASP 9 CO -0.11 0.79 -0.07 0.22 -1.61 0.00 0.00 179.24 178.46 2obu h TYR 10 N 1.12 0.92 -0.25 0.28 3.20 0.64 0.17 116.97 123.06 2obu h TYR 10 Ca 0.29 -0.18 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 2obu h TYR 10 Cb 0.00 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 2obu h TYR 10 CO 0.01 0.91 -0.13 1.03 -1.64 0.00 0.00 178.16 178.34 2obu h SER 11 N 0.66 0.55 -0.77 -2.11 0.87 -0.40 0.12 113.55 112.48 2obu h SER 11 Ca 0.12 -0.42 -0.05 0.00 -1.23 0.00 0.00 61.79 60.21 2obu h SER 11 Cb 0.59 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 2obu h SER 11 CO 0.04 0.85 0.30 -0.29 -0.53 0.00 0.00 176.83 177.20 2obu h ILE 12 N 0.26 1.26 -0.70 2.23 -0.00 -0.72 -0.15 117.51 119.69 2obu h ILE 12 Ca 0.05 -0.82 -0.03 0.00 -0.00 0.00 0.00 64.86 64.06 2obu h ILE 12 Cb 0.65 0.34 -0.03 0.00 -0.00 0.00 0.00 36.82 37.77 2obu h ILE 12 CO 0.04 0.33 0.33 0.00 -0.00 0.00 0.00 178.15 178.85 2obu h ALA 13 N 1.20 0.90 -0.36 0.18 0.00 -0.49 0.18 119.26 120.87 2obu h ALA 13 Ca 0.26 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2obu h ALA 13 Cb 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2obu h ALA 13 CO -0.02 0.48 0.18 1.98 0.00 0.00 0.00 179.25 181.86 2obu h MET 14 N 0.98 0.36 -0.46 0.00 1.85 0.44 0.45 114.93 118.54 2obu h MET 14 Ca 0.24 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.30 2obu h MET 14 Cb 0.13 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 2obu h MET 14 CO -0.03 0.24 0.26 0.22 -0.40 0.00 0.00 176.91 177.19 2obu h ASP 15 N 0.37 0.58 0.22 1.39 3.58 -0.61 -3.20 116.42 118.74 2obu h ASP 15 Ca 0.15 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2obu h ASP 15 Cb 0.06 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2obu h ASP 15 CO -0.11 0.50 -0.11 0.50 -2.88 0.00 0.00 179.24 177.15 2obu h LYS 16 N 0.61 -0.29 -0.87 0.28 1.63 -0.01 -3.26 116.57 114.65 2obu h LYS 16 Ca 0.16 0.02 0.17 0.00 -0.85 0.00 0.00 60.65 60.15 2obu h LYS 16 Cb 0.05 0.07 -0.16 0.00 -0.60 0.00 0.00 32.23 31.58 2obu h LYS 16 CO -0.03 0.06 -0.24 -0.89 -3.45 0.00 0.00 179.45 174.90 2obu n ILE 17 N -5.05 -0.39 -0.16 2.00 5.41 0.15 0.64 119.36 121.97 2obu n ILE 17 Ca -0.09 2.01 -0.08 0.00 1.00 0.00 0.00 62.75 65.59 2obu n ILE 17 Cb 0.25 -2.76 0.00 0.00 -0.71 0.00 0.00 39.64 36.43 2obu n ILE 17 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 176.55 177.67 2obu h HIS 18 N 0.00 0.68 0.36 1.39 2.07 -1.60 0.19 115.15 118.23 2obu h HIS 18 Ca 0.40 -0.04 -0.02 0.00 -2.85 0.00 0.00 60.37 57.86 2obu h HIS 18 Cb 0.61 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 30.39 2obu h HIS 18 CO -0.69 0.56 -0.17 0.37 -3.07 0.00 0.00 177.93 174.93 2obu h GLN 19 N 0.59 -0.47 -0.76 5.12 4.15 0.15 0.24 115.11 124.14 2obu h GLN 19 Ca 0.15 0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.75 2obu h GLN 19 Cb 0.16 0.11 -0.10 0.00 0.21 0.00 0.00 27.48 27.85 2obu h GLN 19 CO -0.02 -0.17 0.30 0.37 -1.93 0.00 0.00 178.83 177.38 2obu h GLN 20 N -0.76 0.41 -0.37 1.69 5.75 0.04 0.35 115.11 122.23 2obu h GLN 20 Ca -0.05 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 2obu h GLN 20 Cb 0.51 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 2obu h GLN 20 CO 0.08 0.27 0.12 0.22 -2.65 0.00 0.00 178.83 176.87 2obu h ASP 21 N 0.43 0.53 -0.57 -0.69 3.58 -0.54 0.04 116.42 119.20 2obu h ASP 21 Ca 0.42 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 2obu h ASP 21 Cb 0.66 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 2obu h ASP 21 CO -0.42 0.59 0.27 0.15 -2.88 0.00 0.00 179.24 176.95 2obu h PHE 22 N 0.44 0.87 0.42 0.28 3.57 0.14 0.18 116.94 122.83 2obu h PHE 22 Ca 0.12 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2obu h PHE 22 Cb 0.25 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2obu h PHE 22 CO 0.01 0.65 -0.20 0.28 -2.23 0.00 0.00 178.31 176.82 2obu h VAL 23 N 0.86 0.45 -0.09 1.41 2.07 -0.13 -0.97 116.25 119.85 2obu h VAL 23 Ca 0.21 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2obu h VAL 23 Cb 0.13 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2obu h VAL 23 CO -0.02 0.08 0.08 -0.55 0.02 0.00 0.00 177.57 177.17 2obu h ASN 24 N -0.94 0.00 -0.24 0.57 7.08 -0.78 0.12 115.58 121.39 2obu h ASN 24 Ca -0.06 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.11 2obu h ASN 24 Cb 0.56 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.79 2obu h ASN 24 CO 0.09 0.00 -0.04 -0.25 -2.08 0.00 0.00 177.43 175.15 2obu h TRP 25 N 0.00 0.51 -0.36 4.14 7.01 -0.49 0.25 115.95 127.00 2obu h TRP 25 Ca 0.04 -0.10 0.01 0.00 2.11 0.00 0.00 58.89 60.95 2obu h TRP 25 Cb 0.20 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 2obu h TRP 25 CO 0.00 0.67 0.23 -0.07 -2.79 0.00 0.00 178.44 176.48 2obu h LEU 26 N 0.20 0.40 -0.77 0.65 3.38 0.48 0.15 115.31 119.81 2obu h LEU 26 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2obu h LEU 26 Cb 0.50 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2obu h LEU 26 CO 0.02 0.29 0.46 -0.07 0.09 0.00 0.00 178.44 179.23 2obu h LEU 27 N 0.48 0.94 -1.01 1.67 3.38 -0.73 0.17 115.31 120.20 2obu h LEU 27 Ca 0.13 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2obu h LEU 27 Cb -0.05 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 2obu h LEU 27 CO -0.03 0.74 0.65 0.00 0.09 0.00 0.00 178.44 179.89 2obu h ALA 28 N 1.24 1.38 -0.39 1.53 0.00 -0.05 0.61 119.26 123.58 2obu h ALA 28 Ca 0.28 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 2obu h ALA 28 Cb -0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 17.79 17.33 2obu h ALA 28 CO -0.05 0.49 0.33 1.04 0.00 0.00 0.00 179.25 181.06 2obu n GLN 29 N -4.48 1.64 0.16 0.00 6.02 0.00 -4.04 117.38 116.69 2obu n GLN 29 Ca 0.15 -1.27 0.00 0.00 -0.01 0.00 0.00 57.00 55.87 2obu n GLN 29 Cb 0.15 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.91 2obu n GLN 29 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2obu n LYS 30 N 0.47 0.00 -0.12 -1.09 5.02 -0.00 -4.62 118.16 117.81 2obu n LYS 30 Ca 0.24 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.40 2obu n LYS 30 Cb 0.61 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.52 2obu n LYS 30 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2obu h GLY 31 N 0.00 -1.03 1.43 0.72 0.00 -1.19 0.47 103.07 103.47 2obu h GLY 31 Ca 0.00 0.72 -0.16 0.00 0.00 0.00 0.00 47.33 47.89 2obu h GLY 31 CO 0.00 -0.13 -1.09 0.07 0.00 0.00 0.00 176.54 175.39 2obu h LYS 32 N -0.42 0.00 0.09 4.80 -0.00 -1.78 -3.31 116.57 115.96 2obu h LYS 32 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.71 2obu h LYS 32 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.83 2obu h LYS 32 CO -0.57 0.44 -0.05 -0.22 -0.00 0.00 0.00 179.45 179.06 2obu h LYS 33 N 0.00 -0.12 -1.00 0.07 3.11 -1.63 -3.24 116.57 113.77 2obu h LYS 33 Ca -0.10 0.01 0.25 0.00 -2.81 0.00 0.00 60.65 58.00 2obu h LYS 33 Cb 1.56 0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 32.75 2obu h LYS 33 CO 0.06 0.39 0.66 -0.97 -2.81 0.00 0.00 179.45 176.78 2obu h ASN 34 N -0.89 0.35 -0.86 4.20 -0.73 -0.24 -0.84 115.58 116.57 2obu h ASN 34 Ca -0.01 0.05 0.17 0.00 1.87 0.00 0.00 56.30 58.38 2obu h ASN 34 Cb 0.56 -0.01 -0.16 0.00 0.27 0.00 0.00 38.32 38.98 2obu h ASN 34 CO 0.02 0.10 -0.21 -0.67 -0.37 0.00 0.00 177.43 176.29 2obu n ASP 35 N -4.51 -0.31 -0.09 1.15 -0.08 -1.22 -1.54 116.55 109.95 2obu n ASP 35 Ca 0.23 1.48 -0.23 0.00 -1.51 0.00 0.00 54.79 54.77 2obu n ASP 35 Cb 0.86 -0.45 -0.12 0.00 2.34 0.00 0.00 41.12 43.76 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 -5.40 0.95 -2.91 -0.67 2.14 -0.44 -5.07 117.44 106.03 2obu n TRP 36 Ca 0.14 0.38 -0.01 0.00 2.07 0.00 0.00 57.50 60.08 2obu n TRP 36 Cb 0.43 -1.10 0.00 0.00 -0.81 0.00 0.00 31.31 29.84 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 -4.29 -2.28 0.00 -2.67 3.00 -0.47 -4.98 118.16 106.47 2obu n LYS 37 Ca -0.34 2.03 0.00 0.00 -0.00 0.00 0.00 58.31 59.99 2obu n LYS 37 Cb 0.75 -3.75 0.00 0.00 0.00 0.00 0.00 35.03 32.03 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 0.87 -1.41 -0.32 5.64 -0.00 -1.26 -4.92 115.22 113.83 2obu n HIS 38 Ca 0.00 0.00 0.20 0.00 0.46 0.00 0.00 57.72 58.39 2obu n HIS 38 Cb 0.21 0.28 0.41 0.00 -0.12 0.00 0.00 29.99 30.77 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 0.17 -3.45 0.26 -0.73 -1.96 -3.40 115.58 106.47 2obu h ASN 39 Ca 0.00 0.22 -0.56 0.00 1.87 0.00 0.00 56.30 57.83 2obu h ASN 39 Cb 0.00 0.25 0.11 0.00 0.27 0.00 0.00 38.32 38.95 2obu h ASN 39 CO 0.00 -0.23 0.61 -0.38 -0.37 0.00 0.00 177.43 177.06 2obu n ILE 40 N -5.21 1.88 -2.31 2.57 2.08 -1.26 -4.83 119.36 112.28 2obu n ILE 40 Ca 0.28 -0.47 -0.35 0.00 0.56 0.00 0.00 62.75 62.78 2obu n ILE 40 Cb 0.91 -1.70 -0.04 0.00 -0.75 0.00 0.00 39.64 38.06 2obu n ILE 40 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2obu s THR 41 N -0.97 3.75 0.00 1.39 -4.23 -1.26 -5.13 115.64 109.19 2obu s THR 41 Ca 0.56 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2obu s THR 41 Cb -0.54 -4.70 0.00 0.00 1.34 0.00 0.00 72.50 68.59 2obu s THR 41 CO 0.61 -1.47 0.00 1.67 -0.54 0.00 0.00 174.62 174.90