#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 -0.33 0.24 -3.48 0.00 -1.26 -5.04 121.76 111.90 2obu s ALA 2 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 2obu s ALA 2 Cb 0.00 0.14 0.28 0.00 0.00 0.00 0.00 23.12 23.55 2obu s ALA 2 CO 0.00 -0.24 1.71 1.49 0.00 0.00 0.00 175.76 178.72 2obu h GLU 3 N 4.09 0.76 -0.23 0.00 4.81 -2.08 -2.75 114.58 119.18 2obu h GLU 3 Ca -0.31 -0.25 0.07 0.00 -0.13 0.00 0.00 59.36 58.74 2obu h GLU 3 Cb 1.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2obu h GLU 3 CO 0.42 0.84 0.65 0.78 -0.73 0.00 0.00 179.01 180.97 2obu h GLY 4 N 0.97 0.00 -0.71 1.92 0.00 -2.00 -2.34 103.07 100.90 2obu h GLY 4 Ca 0.12 0.00 0.36 0.00 0.00 0.00 0.00 47.33 47.81 2obu h GLY 4 CO 0.04 0.00 0.55 0.00 0.00 0.00 0.00 176.54 177.13 2obu h THR 5 N 0.00 0.18 -0.28 4.70 1.03 -1.92 0.49 112.91 117.11 2obu h THR 5 Ca 0.11 -0.07 -0.19 0.00 -0.01 0.00 0.00 66.41 66.25 2obu h THR 5 Cb 1.41 -0.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 2obu h THR 5 CO -0.00 0.04 -0.56 2.19 -0.01 0.00 0.00 175.52 177.18 2obu h PHE 6 N 0.19 1.11 0.06 0.00 -5.15 -1.70 -0.51 116.94 110.94 2obu h PHE 6 Ca 0.78 -0.40 -0.00 0.00 -0.20 0.00 0.00 57.97 58.15 2obu h PHE 6 Cb 1.89 -0.21 0.00 0.00 0.22 0.00 0.00 35.95 37.86 2obu h PHE 6 CO -0.02 1.23 -0.03 0.82 -2.00 0.00 0.00 178.31 178.32 2obu h ILE 7 N 0.66 0.96 -0.41 0.88 2.04 -0.37 0.30 117.51 121.57 2obu h ILE 7 Ca 0.01 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.86 2obu h ILE 7 Cb 1.17 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 2obu h ILE 7 CO 0.12 0.02 0.11 -1.28 0.00 0.00 0.00 178.15 177.12 2obu h SER 8 N -0.11 0.06 -1.00 1.72 0.87 -0.59 0.22 113.55 114.72 2obu h SER 8 Ca -0.01 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2obu h SER 8 Cb 0.09 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 2obu h SER 8 CO 0.01 0.07 0.65 -0.78 -0.53 0.00 0.00 176.83 176.26 2obu h ASP 9 N 0.25 1.16 -0.19 6.23 1.82 -0.62 0.19 116.42 125.26 2obu h ASP 9 Ca 0.20 -0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.72 2obu h ASP 9 Cb 0.22 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 39.94 2obu h ASP 9 CO -0.24 0.85 -0.18 0.22 -1.61 0.00 0.00 179.24 178.28 2obu h TYR 10 N 1.36 0.55 -0.30 0.28 3.20 0.92 0.18 116.97 123.16 2obu h TYR 10 Ca 0.37 -0.16 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2obu h TYR 10 Cb -0.14 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 2obu h TYR 10 CO 0.00 0.81 -0.07 1.03 -1.64 0.00 0.00 178.16 178.29 2obu h SER 11 N 0.13 0.58 -0.02 -2.11 0.87 -0.46 0.12 113.55 112.66 2obu h SER 11 Ca 0.03 -0.37 0.02 0.00 -1.23 0.00 0.00 61.79 60.25 2obu h SER 11 Cb 0.72 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 2obu h SER 11 CO 0.05 0.81 -0.08 0.40 -0.53 0.00 0.00 176.83 177.47 2obu h ILE 12 N 0.34 0.78 -0.62 2.23 2.04 -0.60 -0.24 117.51 121.44 2obu h ILE 12 Ca 0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.02 2obu h ILE 12 Cb 0.56 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 2obu h ILE 12 CO 0.03 0.00 0.26 0.00 0.00 0.00 0.00 178.15 178.44 2obu h ALA 13 N 0.87 0.81 -0.28 1.87 0.00 -0.41 0.56 119.26 122.67 2obu h ALA 13 Ca 0.04 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2obu h ALA 13 Cb 0.19 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2obu h ALA 13 CO -0.10 -0.15 0.01 1.98 0.00 0.00 0.00 179.25 180.99 2obu h MET 14 N 0.46 0.10 -0.74 0.00 1.85 0.17 0.64 114.93 117.41 2obu h MET 14 Ca 0.31 -0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.33 2obu h MET 14 Cb 0.35 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.32 2obu h MET 14 CO -0.28 0.06 0.24 0.22 -0.40 0.00 0.00 176.91 176.75 2obu h ASP 15 N 0.10 1.08 1.73 1.39 1.82 0.06 -3.12 116.42 119.48 2obu h ASP 15 Ca 0.13 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2obu h ASP 15 Cb 0.17 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 39.90 2obu h ASP 15 CO -0.22 1.00 -0.14 0.50 -1.61 0.00 0.00 179.24 178.77 2obu h LYS 16 N 1.10 0.00 -0.04 0.28 1.63 0.12 -3.16 116.57 116.50 2obu h LYS 16 Ca 0.24 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.02 2obu h LYS 16 Cb 0.30 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2obu h LYS 16 CO -0.01 0.00 -0.05 0.82 -3.45 0.00 0.00 179.45 176.76 2obu h ILE 17 N 0.00 1.40 -0.92 2.00 2.04 0.31 0.20 117.51 122.54 2obu h ILE 17 Ca 0.00 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.61 2obu h ILE 17 Cb 0.94 2.15 -0.05 0.00 -0.74 0.00 0.00 36.82 39.12 2obu h ILE 17 CO 0.00 0.34 0.61 1.12 0.00 0.00 0.00 178.15 180.22 2obu h HIS 18 N -0.37 1.15 0.34 1.37 2.07 -1.62 0.29 115.15 118.39 2obu h HIS 18 Ca 0.01 0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.54 2obu h HIS 18 Cb 0.58 -0.39 0.00 0.00 2.57 0.00 0.00 27.41 30.17 2obu h HIS 18 CO 0.10 0.72 -0.16 0.37 -3.07 0.00 0.00 177.93 175.89 2obu h GLN 19 N 1.24 -0.44 -0.65 5.12 4.15 -1.50 0.87 115.11 123.91 2obu h GLN 19 Ca 0.34 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.79 2obu h GLN 19 Cb -0.13 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 2obu h GLN 19 CO -0.08 -0.23 0.39 0.37 -1.93 0.00 0.00 178.83 177.36 2obu h GLN 20 N -0.57 0.87 -0.65 1.69 5.75 -0.18 0.28 115.11 122.31 2obu h GLN 20 Ca -0.05 -0.08 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 2obu h GLN 20 Cb 0.42 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 2obu h GLN 20 CO 0.08 0.62 0.40 0.22 -2.65 0.00 0.00 178.83 177.50 2obu h ASP 21 N 0.88 0.65 -0.38 -0.69 1.82 -0.35 0.23 116.42 118.57 2obu h ASP 21 Ca 0.23 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.76 2obu h ASP 21 Cb -0.03 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 39.83 2obu h ASP 21 CO -0.04 0.45 -0.17 0.15 -1.61 0.00 0.00 179.24 178.01 2obu h PHE 22 N 0.78 0.97 0.53 0.28 3.57 0.59 0.18 116.94 123.84 2obu h PHE 22 Ca 0.26 -0.21 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2obu h PHE 22 Cb 0.03 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.54 2obu h PHE 22 CO -0.05 0.96 -0.25 0.28 -2.23 0.00 0.00 178.31 177.02 2obu h VAL 23 N 0.76 0.28 -0.06 1.41 2.07 0.01 -0.14 116.25 120.58 2obu h VAL 23 Ca 0.11 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.21 2obu h VAL 23 Cb 0.70 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2obu h VAL 23 CO 0.05 0.05 0.06 -0.55 0.02 0.00 0.00 177.57 177.20 2obu h ASN 24 N -1.04 0.00 -0.24 0.57 7.08 -0.53 0.20 115.58 121.62 2obu h ASN 24 Ca -0.07 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.09 2obu h ASN 24 Cb 0.62 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.85 2obu h ASN 24 CO 0.12 0.00 -0.09 -0.25 -2.08 0.00 0.00 177.43 175.13 2obu h TRP 25 N 0.00 0.54 -0.46 4.14 7.01 -0.42 0.26 115.95 127.03 2obu h TRP 25 Ca 0.03 -0.13 -0.00 0.00 2.11 0.00 0.00 58.89 60.90 2obu h TRP 25 Cb 0.15 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 2obu h TRP 25 CO 0.00 0.73 0.27 -0.07 -2.79 0.00 0.00 178.44 176.58 2obu h LEU 26 N 0.20 0.55 -0.36 0.65 3.38 0.11 0.36 115.31 120.21 2obu h LEU 26 Ca 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2obu h LEU 26 Cb 0.57 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2obu h LEU 26 CO 0.03 0.46 0.17 -0.07 0.09 0.00 0.00 178.44 179.11 2obu h LEU 27 N 0.60 0.49 -1.33 1.67 3.38 -0.67 -0.98 115.31 118.46 2obu h LEU 27 Ca 0.16 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2obu h LEU 27 Cb 0.01 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2obu h LEU 27 CO -0.03 0.49 0.48 0.00 0.09 0.00 0.00 178.44 179.47 2obu h ALA 28 N 1.01 1.60 -0.47 1.53 0.00 -0.15 0.77 119.26 123.54 2obu h ALA 28 Ca 0.12 -0.03 -0.44 0.00 0.00 0.00 0.00 54.91 54.56 2obu h ALA 28 Cb 0.14 -0.24 -0.16 0.00 0.00 0.00 0.00 17.79 17.53 2obu h ALA 28 CO -0.01 0.32 0.31 0.94 0.00 0.00 0.00 179.25 180.81 2obu n GLN 29 N -4.46 2.27 0.17 0.00 -0.06 0.12 -4.17 117.38 111.25 2obu n GLN 29 Ca 0.09 -2.09 0.00 0.00 -2.00 0.00 0.00 57.00 53.00 2obu n GLN 29 Cb 0.14 -2.05 0.00 0.00 -4.06 0.00 0.00 30.24 24.27 2obu n GLN 29 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2obu n LYS 30 N 0.96 0.00 0.06 3.69 4.81 -0.37 -4.57 118.16 122.74 2obu n LYS 30 Ca 0.45 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 58.11 2obu n LYS 30 Cb 0.59 0.00 0.69 0.00 0.02 0.00 0.00 35.03 36.33 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 0.00 0.00 3.14 0.00 -1.10 -0.52 103.07 104.58 2obu h GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2obu h GLY 31 CO 0.00 0.00 -0.64 0.58 0.00 0.00 0.00 176.54 176.48 2obu n LYS 32 N -3.55 0.00 -0.20 4.80 0.00 -1.26 -4.24 118.16 113.70 2obu n LYS 32 Ca 0.09 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.41 2obu n LYS 32 Cb 0.77 -0.48 0.11 0.00 -0.00 0.00 0.00 35.03 35.43 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 0.23 0.00 -1.58 3.11 -1.73 -1.00 116.57 115.60 2obu h LYS 33 Ca 0.00 -0.01 -0.14 0.00 -2.81 0.00 0.00 60.65 57.69 2obu h LYS 33 Cb 0.64 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 2obu h LYS 33 CO 0.00 0.15 -0.67 -0.97 -2.81 0.00 0.00 179.45 175.16 2obu h ASN 34 N 0.24 0.00 0.35 4.20 -1.24 -1.34 0.24 115.58 118.03 2obu h ASN 34 Ca 0.32 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.33 2obu h ASN 34 Cb 0.49 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 2obu h ASN 34 CO -0.43 0.67 -0.45 -0.78 -1.29 0.00 0.00 177.43 175.14 2obu h ASP 35 N 0.00 -1.28 1.46 1.15 1.82 -1.01 -2.97 116.42 115.59 2obu h ASP 35 Ca -0.01 0.11 -0.11 0.00 -0.39 0.00 0.00 57.03 56.63 2obu h ASP 35 Cb 1.41 0.44 -0.02 0.00 0.68 0.00 0.00 39.33 41.84 2obu h ASP 35 CO 0.09 -0.57 -0.55 4.11 -1.61 0.00 0.00 179.24 180.71 2obu h TRP 36 N -0.83 0.00 -6.25 0.28 5.08 -1.58 -3.48 115.95 109.17 2obu h TRP 36 Ca -0.04 0.00 -0.39 0.00 1.08 0.00 0.00 58.89 59.54 2obu h TRP 36 Cb 0.75 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.77 2obu h TRP 36 CO -0.29 0.52 -0.60 1.17 -1.28 0.00 0.00 178.44 177.97 2obu n LYS 37 N -3.22 -0.95 -0.12 0.12 3.00 0.83 -4.81 118.16 113.01 2obu n LYS 37 Ca 0.02 0.06 -0.22 0.00 -0.00 0.00 0.00 58.31 58.16 2obu n LYS 37 Cb 0.75 -2.27 -0.09 0.00 0.00 0.00 0.00 35.03 33.41 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 -3.19 0.00 -0.25 5.64 -0.00 -1.26 -4.37 115.22 111.79 2obu n HIS 38 Ca -0.19 0.00 0.32 0.00 0.46 0.00 0.00 57.72 58.32 2obu n HIS 38 Cb 0.42 -0.85 0.73 0.00 -0.12 0.00 0.00 29.99 30.17 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 -0.58 0.00 -1.23 0.26 -1.24 -1.91 -3.42 115.58 107.46 2obu h ASN 39 Ca -0.57 0.00 -0.79 0.00 0.71 0.00 0.00 56.30 55.66 2obu h ASN 39 Cb 1.60 0.00 0.03 0.00 0.73 0.00 0.00 38.32 40.68 2obu h ASN 39 CO -0.27 0.00 0.46 0.00 -1.29 0.00 0.00 177.43 176.33 2obu n ILE 40 N -4.04 0.05 -0.67 2.57 0.00 -1.26 -4.51 119.36 111.51 2obu n ILE 40 Ca 0.22 -0.01 0.09 0.00 0.00 0.00 0.00 62.75 63.05 2obu n ILE 40 Cb 1.17 -0.52 -0.02 0.00 0.00 0.00 0.00 39.64 40.27 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 2.95 0.00 -1.51 9.51 5.66 -1.26 -5.15 114.28 124.48 2obu n THR 41 Ca 0.24 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 2obu n THR 41 Cb 0.07 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 2obu n THR 41 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69