#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 -1.08 -0.64 -3.48 0.00 -1.26 -5.03 121.76 110.27 2obu s ALA 2 Ca 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 2obu s ALA 2 Cb 0.00 -2.36 0.21 0.00 0.00 0.00 0.00 23.12 20.97 2obu s ALA 2 CO 0.00 -2.16 2.40 0.39 0.00 0.00 0.00 175.76 176.39 2obu n GLU 3 N 3.36 2.56 0.00 0.00 1.02 -1.26 -4.47 120.64 121.86 2obu n GLU 3 Ca 0.18 -2.91 0.14 0.00 -0.02 0.00 0.00 57.16 54.55 2obu n GLU 3 Cb 0.52 -2.20 0.48 0.00 -0.02 0.00 0.00 31.44 30.23 2obu n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2obu n GLY 4 N 0.17 -0.52 0.20 0.62 0.00 -1.26 -3.97 105.19 100.42 2obu n GLY 4 Ca 0.51 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 1.36 1.32 -0.11 2.61 1.35 -1.99 0.75 112.91 118.20 2obu h THR 5 Ca 0.00 -1.82 -0.19 0.00 -0.55 0.00 0.00 66.41 63.85 2obu h THR 5 Cb 0.46 2.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2obu h THR 5 CO 0.00 0.57 -0.72 2.19 -0.25 0.00 0.00 175.52 177.31 2obu h PHE 6 N 0.34 0.68 0.04 4.73 -5.15 -1.95 -0.29 116.94 115.33 2obu h PHE 6 Ca -0.03 -0.29 -0.00 0.00 -0.20 0.00 0.00 57.97 57.45 2obu h PHE 6 Cb 1.20 -0.11 0.00 0.00 0.22 0.00 0.00 35.95 37.26 2obu h PHE 6 CO 0.10 1.06 -0.02 0.82 -2.00 0.00 0.00 178.31 178.27 2obu h ILE 7 N 0.35 1.16 -0.40 0.88 2.04 -1.68 0.52 117.51 120.40 2obu h ILE 7 Ca -0.03 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.25 2obu h ILE 7 Cb 1.30 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.92 2obu h ILE 7 CO 0.13 0.16 0.08 -1.28 0.00 0.00 0.00 178.15 177.24 2obu h SER 8 N -0.33 0.00 -0.56 1.72 0.87 -0.84 0.14 113.55 114.56 2obu h SER 8 Ca -0.00 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2obu h SER 8 Cb 0.30 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 2obu h SER 8 CO 0.01 0.04 0.28 -0.78 -0.53 0.00 0.00 176.83 175.85 2obu h ASP 9 N 0.20 0.74 -0.21 6.23 1.82 -0.76 0.13 116.42 124.58 2obu h ASP 9 Ca 0.19 -0.07 -0.05 0.00 -0.39 0.00 0.00 57.03 56.71 2obu h ASP 9 Cb 0.23 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 2obu h ASP 9 CO -0.25 0.63 -0.07 0.22 -1.61 0.00 0.00 179.24 178.16 2obu h TYR 10 N 0.83 0.47 -0.34 0.28 5.03 0.16 0.33 116.97 123.72 2obu h TYR 10 Ca 0.21 -0.11 -0.06 0.00 2.58 0.00 0.00 58.73 61.35 2obu h TYR 10 Cb 0.08 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.24 2obu h TYR 10 CO 0.01 0.67 -0.02 1.03 -1.32 0.00 0.00 178.16 178.53 2obu h SER 11 N 0.13 0.61 -0.65 -2.11 0.87 -0.53 0.12 113.55 111.98 2obu h SER 11 Ca 0.05 -0.32 -0.04 0.00 -1.23 0.00 0.00 61.79 60.25 2obu h SER 11 Cb 0.53 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 2obu h SER 11 CO 0.02 0.78 0.25 -0.29 -0.53 0.00 0.00 176.83 177.06 2obu h ILE 12 N 0.42 1.24 -0.54 2.23 -0.00 -0.68 0.21 117.51 120.38 2obu h ILE 12 Ca 0.10 -0.78 -0.05 0.00 -0.00 0.00 0.00 64.86 64.13 2obu h ILE 12 Cb 0.48 0.46 -0.02 0.00 -0.00 0.00 0.00 36.82 37.73 2obu h ILE 12 CO 0.02 0.31 0.15 0.00 -0.00 0.00 0.00 178.15 178.63 2obu h ALA 13 N 1.28 0.71 0.16 0.18 0.00 0.04 0.25 119.26 121.89 2obu h ALA 13 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2obu h ALA 13 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2obu h ALA 13 CO -0.02 0.39 -0.14 1.98 0.00 0.00 0.00 179.25 181.46 2obu h MET 14 N 0.76 -0.31 -0.61 0.00 1.85 -0.03 0.45 114.93 117.03 2obu h MET 14 Ca 0.17 0.02 0.08 0.00 -0.61 0.00 0.00 59.70 59.36 2obu h MET 14 Cb 0.30 0.07 -0.06 0.00 0.43 0.00 0.00 31.60 32.34 2obu h MET 14 CO -0.00 -0.21 0.27 0.22 -0.40 0.00 0.00 176.91 176.79 2obu h ASP 15 N -0.32 0.33 0.22 1.39 1.82 -0.63 -2.77 116.42 116.46 2obu h ASP 15 Ca -0.00 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 2obu h ASP 15 Cb 0.30 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2obu h ASP 15 CO -0.03 0.21 -0.11 0.50 -1.61 0.00 0.00 179.24 178.20 2obu h LYS 16 N 0.49 -0.29 -0.77 0.28 1.63 -0.15 -3.17 116.57 114.60 2obu h LYS 16 Ca 0.29 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.24 2obu h LYS 16 Cb 0.30 0.07 -0.13 0.00 -0.60 0.00 0.00 32.23 31.86 2obu h LYS 16 CO -0.25 0.08 -0.36 0.82 -3.45 0.00 0.00 179.45 176.29 2obu h ILE 17 N -0.77 0.09 -0.64 2.00 2.04 0.17 0.85 117.51 121.25 2obu h ILE 17 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2obu h ILE 17 Cb 0.51 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 2obu h ILE 17 CO 0.05 0.00 0.39 1.12 0.00 0.00 0.00 178.15 179.71 2obu h HIS 18 N -0.09 0.83 -0.61 1.37 2.07 -1.61 0.20 115.15 117.31 2obu h HIS 18 Ca 0.28 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.73 2obu h HIS 18 Cb 0.57 -0.28 -0.02 0.00 2.57 0.00 0.00 27.41 30.25 2obu h HIS 18 CO -0.75 0.56 0.10 0.37 -3.07 0.00 0.00 177.93 175.14 2obu h GLN 19 N 0.87 1.00 -0.19 5.12 5.75 -0.27 0.13 115.11 127.52 2obu h GLN 19 Ca 0.23 -0.27 -0.08 0.00 -0.15 0.00 0.00 58.65 58.38 2obu h GLN 19 Cb -0.04 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.39 2obu h GLN 19 CO -0.04 0.94 -0.19 0.37 -2.65 0.00 0.00 178.83 177.26 2obu h GLN 20 N 0.91 0.46 -0.96 1.69 5.75 0.97 0.12 115.11 124.05 2obu h GLN 20 Ca 0.18 -0.24 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 2obu h GLN 20 Cb 0.42 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.92 2obu h GLN 20 CO 0.01 0.81 0.62 0.22 -2.65 0.00 0.00 178.83 177.84 2obu h ASP 21 N 0.12 1.01 -0.40 -0.69 3.58 -0.54 0.30 116.42 119.80 2obu h ASP 21 Ca 0.03 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.40 2obu h ASP 21 Cb 0.73 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2obu h ASP 21 CO 0.05 0.67 -0.05 0.15 -2.88 0.00 0.00 179.24 177.17 2obu h PHE 22 N 1.16 0.83 0.33 0.28 3.57 -0.45 0.30 116.94 122.97 2obu h PHE 22 Ca 0.40 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2obu h PHE 22 Cb 0.09 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.63 2obu h PHE 22 CO -0.01 0.85 -0.16 0.28 -2.23 0.00 0.00 178.31 177.05 2obu h VAL 23 N 0.57 0.70 -0.97 1.41 2.07 -0.30 -0.45 116.25 119.28 2obu h VAL 23 Ca 0.11 -0.24 0.16 0.00 0.82 0.00 0.00 66.70 67.55 2obu h VAL 23 Cb 0.56 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 2obu h VAL 23 CO 0.03 0.05 0.61 0.78 0.02 0.00 0.00 177.57 179.06 2obu h ASN 24 N -0.57 0.76 -0.65 0.57 2.35 -0.30 0.27 115.58 118.01 2obu h ASN 24 Ca -0.04 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2obu h ASN 24 Cb 0.42 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2obu h ASN 24 CO 0.07 0.34 0.25 -0.25 -1.65 0.00 0.00 177.43 176.19 2obu h TRP 25 N 0.77 1.01 -0.16 1.19 7.01 0.07 0.21 115.95 126.06 2obu h TRP 25 Ca 0.52 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.42 2obu h TRP 25 Cb 0.78 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 2obu h TRP 25 CO -0.00 0.80 0.03 -0.07 -2.79 0.00 0.00 178.44 176.41 2obu h LEU 26 N 0.93 0.24 -0.54 0.65 3.38 0.93 0.18 115.31 121.08 2obu h LEU 26 Ca 0.22 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2obu h LEU 26 Cb 0.23 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2obu h LEU 26 CO -0.01 0.42 0.33 -0.07 0.09 0.00 0.00 178.44 179.19 2obu h LEU 27 N 0.06 0.53 0.06 1.67 3.38 -0.34 -0.26 115.31 120.40 2obu h LEU 27 Ca 0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2obu h LEU 27 Cb 0.27 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2obu h LEU 27 CO 0.00 0.37 -0.13 0.00 0.09 0.00 0.00 178.44 178.78 2obu h ALA 28 N 1.24 -0.20 -0.50 1.53 0.00 -0.49 0.35 119.26 121.19 2obu h ALA 28 Ca 0.22 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.45 2obu h ALA 28 Cb 0.02 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 2obu h ALA 28 CO -0.10 -0.64 2.10 0.94 0.00 0.00 0.00 179.25 181.56 2obu n GLN 29 N -5.25 3.95 0.14 0.00 7.27 0.62 -3.55 117.38 120.56 2obu n GLN 29 Ca -0.06 -2.97 0.00 0.00 0.07 0.00 0.00 57.00 54.04 2obu n GLN 29 Cb 0.17 -2.53 0.00 0.00 2.41 0.00 0.00 30.24 30.29 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 1.85 0.00 -0.21 3.69 0.00 -0.55 -4.74 118.16 118.19 2obu n LYS 30 Ca 0.61 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.94 2obu n LYS 30 Cb 0.33 0.00 0.13 0.00 0.00 0.00 0.00 35.03 35.49 2obu n LYS 30 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2obu h GLY 31 N 0.00 0.88 -1.48 3.14 0.00 -1.08 -2.59 103.07 101.94 2obu h GLY 31 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2obu h GLY 31 CO 0.00 -0.08 0.00 0.58 0.00 0.00 0.00 176.54 177.04 2obu n LYS 32 N -5.06 2.94 -0.04 4.80 -0.00 -1.23 -4.48 118.16 115.09 2obu n LYS 32 Ca 0.10 -2.43 -0.08 0.00 -0.00 0.00 0.00 58.31 55.90 2obu n LYS 32 Cb 0.33 -1.55 -0.07 0.00 -0.00 0.00 0.00 35.03 33.74 2obu n LYS 32 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2obu h LYS 33 N 1.99 -0.05 -0.97 -1.58 3.11 -1.62 0.35 116.57 117.81 2obu h LYS 33 Ca 0.00 0.00 0.23 0.00 -2.81 0.00 0.00 60.65 58.07 2obu h LYS 33 Cb 1.07 0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 32.23 2obu h LYS 33 CO 0.11 0.46 0.63 -0.91 -2.81 0.00 0.00 179.45 176.93 2obu h ASN 34 N -0.97 0.45 0.27 4.20 2.35 -1.79 -0.16 115.58 119.93 2obu h ASN 34 Ca -0.00 0.06 -0.34 0.00 -0.55 0.00 0.00 56.30 55.47 2obu h ASN 34 Cb 0.53 -0.02 0.04 0.00 0.05 0.00 0.00 38.32 38.92 2obu h ASN 34 CO 0.01 0.15 -1.48 0.44 -1.65 0.00 0.00 177.43 174.89 2obu h ASP 35 N 0.44 0.84 -6.98 5.81 3.32 -1.78 -3.48 116.42 114.59 2obu h ASP 35 Ca 0.52 -0.90 -0.59 0.00 0.02 0.00 0.00 57.03 56.08 2obu h ASP 35 Cb 1.27 -0.27 -0.29 0.00 0.22 0.00 0.00 39.33 40.26 2obu h ASP 35 CO -0.23 1.71 -0.88 -2.67 -1.72 0.00 0.00 179.24 175.45 2obu n TRP 36 N -3.71 -1.44 -4.12 4.55 4.27 0.12 -2.46 117.44 114.65 2obu n TRP 36 Ca -0.17 0.74 -0.36 0.00 -3.89 0.00 0.00 57.50 53.82 2obu n TRP 36 Cb 1.11 -2.43 -0.03 0.00 -1.36 0.00 0.00 31.31 28.59 2obu n TRP 36 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 2obu n LYS 37 N -4.24 -1.08 0.21 -2.67 4.01 -1.26 -4.73 118.16 108.41 2obu n LYS 37 Ca 0.07 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 58.03 2obu n LYS 37 Cb 0.48 -3.40 0.00 0.00 -0.51 0.00 0.00 35.03 31.60 2obu n LYS 37 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2obu n HIS 38 N -4.70 -4.37 0.26 2.13 -0.00 -1.03 -4.90 115.22 102.61 2obu n HIS 38 Ca -0.23 1.41 0.18 0.00 0.46 0.00 0.00 57.72 59.54 2obu n HIS 38 Cb 0.64 3.48 0.91 0.00 -0.12 0.00 0.00 29.99 34.89 2obu n HIS 38 CO 0.00 0.00 0.00 -2.95 0.46 0.00 0.00 176.34 173.85 2obu h ASN 39 N 0.00 0.00 -2.01 0.26 -0.00 -1.84 -3.37 115.58 108.61 2obu h ASN 39 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 56.30 55.80 2obu h ASN 39 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.29 2obu h ASN 39 CO 0.00 0.00 1.39 -0.63 -0.00 0.00 0.00 177.43 178.19 2obu s ILE 40 N -4.40 3.32 0.09 6.14 -1.09 -1.26 -4.91 121.20 119.08 2obu s ILE 40 Ca -0.04 0.21 -0.09 0.00 -2.23 0.00 0.00 60.65 58.50 2obu s ILE 40 Cb 0.13 -3.76 -0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2obu s ILE 40 CO 0.45 -0.71 0.19 0.28 -1.23 0.00 0.00 174.94 173.92 2obu s THR 41 N 9.28 0.14 -2.87 2.92 -1.32 -1.26 -5.09 115.64 117.44 2obu s THR 41 Ca 0.73 -1.17 0.23 0.00 -1.21 0.00 0.00 61.69 60.27 2obu s THR 41 Cb -0.14 -1.33 0.18 0.00 -1.51 0.00 0.00 72.50 69.69 2obu s THR 41 CO 0.23 -0.65 1.23 1.67 -2.21 0.00 0.00 174.62 174.89