#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 3.37 0.28 -3.48 0.00 -1.26 -4.95 121.76 115.72 2obu s ALA 2 Ca 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 2obu s ALA 2 Cb 0.00 -3.08 0.39 0.00 0.00 0.00 0.00 23.12 20.42 2obu s ALA 2 CO 0.00 0.16 1.87 1.49 0.00 0.00 0.00 175.76 179.28 2obu h GLU 3 N 4.81 0.95 -0.07 0.00 4.57 -2.08 -2.51 114.58 120.26 2obu h GLU 3 Ca -0.45 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 57.61 2obu h GLU 3 Cb 1.21 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.62 2obu h GLU 3 CO 0.69 0.76 0.56 0.78 -1.18 0.00 0.00 179.01 180.62 2obu h GLY 4 N 1.03 0.00 -0.93 1.92 0.00 -2.01 -2.64 103.07 100.44 2obu h GLY 4 Ca 0.23 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.74 2obu h GLY 4 CO -0.02 0.00 -0.25 -1.30 0.00 0.00 0.00 176.54 174.97 2obu n THR 5 N -2.86 -0.40 -0.25 4.70 -2.24 -0.94 0.40 114.28 112.68 2obu n THR 5 Ca 0.00 2.14 -0.08 0.00 -2.27 0.00 0.00 64.05 63.84 2obu n THR 5 Cb 0.62 -2.94 0.04 0.00 -2.10 0.00 0.00 70.33 65.94 2obu n THR 5 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2obu h PHE 6 N 0.00 1.19 -0.03 4.78 -5.15 -1.74 -0.78 116.94 115.20 2obu h PHE 6 Ca 0.43 -0.15 0.01 0.00 -0.20 0.00 0.00 57.97 58.06 2obu h PHE 6 Cb 0.67 -0.33 -0.01 0.00 0.22 0.00 0.00 35.95 36.50 2obu h PHE 6 CO -0.73 0.98 -0.02 0.82 -2.00 0.00 0.00 178.31 177.36 2obu h ILE 7 N 1.05 0.94 -0.25 0.88 2.04 -0.25 0.28 117.51 122.21 2obu h ILE 7 Ca 0.21 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.12 2obu h ILE 7 Cb 0.41 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 2obu h ILE 7 CO 0.01 0.00 -0.01 -1.28 0.00 0.00 0.00 178.15 176.87 2obu h SER 8 N -0.02 -0.12 -0.93 1.72 0.87 -0.52 0.15 113.55 114.71 2obu h SER 8 Ca 0.02 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 2obu h SER 8 Cb 0.05 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.06 2obu h SER 8 CO -0.04 -0.03 0.60 -0.78 -0.53 0.00 0.00 176.83 176.05 2obu h ASP 9 N 0.07 0.96 -0.15 6.23 1.82 -0.53 0.15 116.42 124.97 2obu h ASP 9 Ca 0.12 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.68 2obu h ASP 9 Cb 0.16 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 39.97 2obu h ASP 9 CO -0.21 0.63 -0.22 0.22 -1.61 0.00 0.00 179.24 178.04 2obu h TYR 10 N 1.09 0.50 -0.36 0.28 3.20 0.83 0.28 116.97 122.79 2obu h TYR 10 Ca 0.39 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 2obu h TYR 10 Cb 0.14 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2obu h TYR 10 CO -0.00 0.84 0.11 1.03 -1.64 0.00 0.00 178.16 178.50 2obu h SER 11 N 0.02 0.53 -0.63 -2.11 0.87 -0.48 -0.44 113.55 111.32 2obu h SER 11 Ca 0.01 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2obu h SER 11 Cb 0.79 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 2obu h SER 11 CO 0.05 0.60 0.40 0.40 -0.53 0.00 0.00 176.83 177.75 2obu h ILE 12 N 0.44 1.17 -0.84 2.23 1.08 -0.68 0.03 117.51 120.93 2obu h ILE 12 Ca 0.12 -0.34 0.10 0.00 -0.39 0.00 0.00 64.86 64.34 2obu h ILE 12 Cb 0.26 0.27 -0.07 0.00 -3.07 0.00 0.00 36.82 34.21 2obu h ILE 12 CO -0.00 0.17 0.49 0.00 -0.69 0.00 0.00 178.15 178.11 2obu h ALA 13 N 1.21 1.21 -0.15 1.87 0.00 -0.01 0.21 119.26 123.61 2obu h ALA 13 Ca 0.23 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2obu h ALA 13 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2obu h ALA 13 CO -0.05 0.11 0.10 1.98 0.00 0.00 0.00 179.25 181.39 2obu h MET 14 N 0.81 0.19 -0.39 0.00 1.85 0.43 0.35 114.93 118.17 2obu h MET 14 Ca 0.41 -0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.52 2obu h MET 14 Cb 0.38 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.33 2obu h MET 14 CO -0.25 0.13 0.19 0.22 -0.40 0.00 0.00 176.91 176.79 2obu h ASP 15 N 0.20 0.27 0.06 1.39 1.82 0.54 -2.99 116.42 117.71 2obu h ASP 15 Ca 0.05 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2obu h ASP 15 Cb -0.02 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 39.96 2obu h ASP 15 CO -0.01 0.20 -0.03 0.11 -1.61 0.00 0.00 179.24 177.90 2obu h LYS 16 N 0.39 -0.08 -1.00 0.28 6.56 -0.41 -3.05 116.57 119.26 2obu h LYS 16 Ca 0.17 0.01 0.19 0.00 -1.06 0.00 0.00 60.65 59.96 2obu h LYS 16 Cb 0.08 0.02 -0.19 0.00 -0.57 0.00 0.00 32.23 31.57 2obu h LYS 16 CO -0.12 0.38 -0.27 -0.89 -2.06 0.00 0.00 179.45 176.49 2obu n ILE 17 N -4.90 -0.43 -0.09 1.86 5.41 0.12 0.14 119.36 121.47 2obu n ILE 17 Ca -0.08 2.29 -0.11 0.00 1.00 0.00 0.00 62.75 65.85 2obu n ILE 17 Cb 0.25 -3.16 -0.04 0.00 -0.71 0.00 0.00 39.64 35.99 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 0.50 0.51 1.39 2.07 -1.57 0.13 115.15 118.19 2obu h HIS 18 Ca 0.46 -0.08 -0.03 0.00 -2.85 0.00 0.00 60.37 57.88 2obu h HIS 18 Cb 0.71 -0.13 0.01 0.00 2.57 0.00 0.00 27.41 30.56 2obu h HIS 18 CO -0.78 0.59 -0.25 0.37 -3.07 0.00 0.00 177.93 174.79 2obu h GLN 19 N 0.26 -0.67 -0.81 5.12 4.15 0.30 0.55 115.11 124.01 2obu h GLN 19 Ca 0.08 0.05 0.19 0.00 0.77 0.00 0.00 58.65 59.74 2obu h GLN 19 Cb 0.38 0.15 -0.14 0.00 0.21 0.00 0.00 27.48 28.08 2obu h GLN 19 CO 0.01 -0.44 0.05 0.37 -1.93 0.00 0.00 178.83 176.89 2obu h GLN 20 N -0.87 0.11 -0.41 1.69 4.15 0.11 0.43 115.11 120.33 2obu h GLN 20 Ca -0.07 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 2obu h GLN 20 Cb 0.53 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 2obu h GLN 20 CO 0.12 0.07 0.25 0.22 -1.93 0.00 0.00 178.83 177.56 2obu h ASP 21 N 0.12 0.49 -0.63 -0.69 3.58 -0.67 0.21 116.42 118.82 2obu h ASP 21 Ca 0.46 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.81 2obu h ASP 21 Cb 0.85 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.74 2obu h ASP 21 CO -0.69 0.40 0.24 0.15 -2.88 0.00 0.00 179.24 176.45 2obu h PHE 22 N 0.54 1.00 0.17 0.28 3.57 0.19 0.24 116.94 122.92 2obu h PHE 22 Ca 0.15 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2obu h PHE 22 Cb -0.00 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2obu h PHE 22 CO -0.03 0.78 -0.08 0.28 -2.23 0.00 0.00 178.31 177.03 2obu h VAL 23 N 0.96 0.94 -0.98 1.41 2.07 0.11 -0.28 116.25 120.48 2obu h VAL 23 Ca 0.22 -0.50 0.13 0.00 0.82 0.00 0.00 66.70 67.37 2obu h VAL 23 Cb 0.23 1.25 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 2obu h VAL 23 CO -0.01 0.12 0.62 0.78 0.02 0.00 0.00 177.57 179.09 2obu h ASN 24 N -0.47 0.86 -0.52 0.57 4.21 -0.20 0.32 115.58 120.36 2obu h ASN 24 Ca -0.02 0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 2obu h ASN 24 Cb 0.36 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.42 2obu h ASN 24 CO 0.04 0.43 0.26 -0.25 -1.29 0.00 0.00 177.43 176.63 2obu h TRP 25 N 0.91 0.73 -0.63 1.19 7.01 -0.22 0.13 115.95 125.07 2obu h TRP 25 Ca 0.50 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.46 2obu h TRP 25 Cb 0.59 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.39 2obu h TRP 25 CO -0.00 0.56 0.34 -0.07 -2.79 0.00 0.00 178.44 176.48 2obu h LEU 26 N 0.69 0.78 -0.68 0.65 3.38 0.97 0.82 115.31 121.92 2obu h LEU 26 Ca 0.18 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2obu h LEU 26 Cb 0.09 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2obu h LEU 26 CO -0.03 0.65 0.43 -0.07 0.09 0.00 0.00 178.44 179.52 2obu h LEU 27 N 0.85 0.71 -1.17 1.67 3.38 0.13 0.17 115.31 121.05 2obu h LEU 27 Ca 0.22 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2obu h LEU 27 Cb 0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2obu h LEU 27 CO -0.04 0.49 0.43 0.00 0.09 0.00 0.00 178.44 179.42 2obu h ALA 28 N 1.29 1.38 0.00 1.53 0.00 -0.30 0.29 119.26 123.45 2obu h ALA 28 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2obu h ALA 28 Cb 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2obu h ALA 28 CO -0.10 0.53 0.00 0.94 0.00 0.00 0.00 179.25 180.62 2obu n GLN 29 N -4.38 0.72 0.07 0.00 -0.06 0.53 -2.24 117.38 112.02 2obu n GLN 29 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2obu n GLN 29 Cb 0.08 -1.01 0.00 0.00 -4.06 0.00 0.00 30.24 25.25 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 -0.51 0.00 0.31 3.69 2.85 -0.65 -4.31 118.16 119.53 2obu n LYS 30 Ca 0.00 0.00 0.18 0.00 -1.05 0.00 0.00 58.31 57.45 2obu n LYS 30 Cb 0.00 -0.05 1.00 0.00 -0.65 0.00 0.00 35.03 35.33 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 0.00 0.00 2.58 0.00 -0.61 -2.63 103.07 102.41 2obu h GLY 31 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2obu h GLY 31 CO 0.00 0.00 -1.82 1.17 0.00 0.00 0.00 176.54 175.89 2obu n LYS 32 N -3.41 0.60 -0.01 4.80 0.00 -0.96 -4.32 118.16 114.86 2obu n LYS 32 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 58.31 58.34 2obu n LYS 32 Cb 0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 35.03 33.86 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 0.00 -0.08 -0.17 1.64 3.11 -1.46 0.33 116.57 119.94 2obu h LYS 33 Ca -0.32 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.57 2obu h LYS 33 Cb 1.53 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.77 2obu h LYS 33 CO -0.04 -0.05 0.13 -0.91 -2.81 0.00 0.00 179.45 175.76 2obu h ASN 34 N -0.89 0.00 0.82 4.20 2.35 -1.66 0.14 115.58 120.53 2obu h ASN 34 Ca -0.01 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 2obu h ASN 34 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2obu h ASN 34 CO 0.01 0.00 -0.94 -0.78 -1.65 0.00 0.00 177.43 174.07 2obu h ASP 35 N 0.00 0.10 -6.27 5.81 1.82 -1.58 -3.48 116.42 112.82 2obu h ASP 35 Ca 0.08 -0.09 -0.46 0.00 -0.39 0.00 0.00 57.03 56.17 2obu h ASP 35 Cb 0.34 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 2obu h ASP 35 CO -0.00 0.98 -0.79 -2.67 -1.61 0.00 0.00 179.24 175.15 2obu n TRP 36 N -3.50 -2.13 -4.16 0.28 4.27 0.12 -2.40 117.44 109.92 2obu n TRP 36 Ca -0.02 0.87 -0.32 0.00 -3.89 0.00 0.00 57.50 54.14 2obu n TRP 36 Cb 0.87 -4.05 -0.04 0.00 -1.36 0.00 0.00 31.31 26.73 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 -4.54 -2.86 0.01 -2.67 5.02 -1.18 -4.42 118.16 107.53 2obu n LYS 37 Ca -0.08 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2obu n LYS 37 Cb 0.58 -4.72 0.00 0.00 -0.02 0.00 0.00 35.03 30.87 2obu n LYS 37 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2obu n HIS 38 N -4.40 -1.33 -0.44 2.13 -0.00 -1.22 -4.93 115.22 105.04 2obu n HIS 38 Ca -0.10 0.09 0.38 0.00 0.46 0.00 0.00 57.72 58.55 2obu n HIS 38 Cb 0.58 0.44 0.70 0.00 -0.12 0.00 0.00 29.99 31.60 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 0.13 -1.00 0.26 -1.24 -1.68 -3.43 115.58 108.62 2obu h ASN 39 Ca 0.00 0.05 -0.60 0.00 0.71 0.00 0.00 56.30 56.46 2obu h ASN 39 Cb 0.00 0.03 0.11 0.00 0.73 0.00 0.00 38.32 39.19 2obu h ASN 39 CO 0.00 -0.03 -0.54 0.00 -1.29 0.00 0.00 177.43 175.57 2obu n ILE 40 N -4.32 1.62 0.00 2.57 0.13 -1.26 -4.94 119.36 113.16 2obu n ILE 40 Ca 0.32 -0.45 0.00 0.00 -1.10 0.00 0.00 62.75 61.52 2obu n ILE 40 Cb 1.40 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 40.20 2obu n ILE 40 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 2obu n THR 41 N -0.15 0.00 -0.79 9.51 5.66 -1.26 -5.15 114.28 122.10 2obu n THR 41 Ca 0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 2obu n THR 41 Cb 0.25 -1.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.00 2obu n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02