#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 -0.50 -0.11 -3.48 0.00 -1.26 -4.16 120.51 110.99 2obu n ALA 2 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 2obu n ALA 2 Cb 0.00 -0.46 0.14 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.01 0.81 -0.06 0.00 4.57 -2.08 -2.87 114.58 114.95 2obu h GLU 3 Ca -0.00 -0.24 0.02 0.00 -1.18 0.00 0.00 59.36 57.96 2obu h GLU 3 Cb 0.05 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2obu h GLU 3 CO 0.00 0.84 0.56 0.78 -1.18 0.00 0.00 179.01 180.01 2obu h GLY 4 N 0.98 0.00 -0.75 1.92 0.00 -2.01 -2.64 103.07 100.56 2obu h GLY 4 Ca 0.14 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.81 2obu h GLY 4 CO 0.03 0.00 0.45 0.00 0.00 0.00 0.00 176.54 177.01 2obu h THR 5 N 0.00 0.15 -0.23 4.70 1.03 -1.67 0.50 112.91 117.39 2obu h THR 5 Ca 0.03 -0.05 -0.20 0.00 -0.01 0.00 0.00 66.41 66.18 2obu h THR 5 Cb 1.15 -0.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.22 2obu h THR 5 CO -0.00 0.03 -0.63 2.19 -0.01 0.00 0.00 175.52 177.10 2obu h PHE 6 N 0.15 1.08 0.01 0.00 -5.15 -1.76 -1.41 116.94 109.86 2obu h PHE 6 Ca 0.74 -0.42 -0.00 0.00 -0.20 0.00 0.00 57.97 58.09 2obu h PHE 6 Cb 1.77 -0.19 0.00 0.00 0.22 0.00 0.00 35.95 37.75 2obu h PHE 6 CO -0.10 1.25 -0.01 0.82 -2.00 0.00 0.00 178.31 178.27 2obu h ILE 7 N 0.60 0.99 -0.49 0.88 2.04 -0.39 0.30 117.51 121.45 2obu h ILE 7 Ca -0.01 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.91 2obu h ILE 7 Cb 1.25 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 2obu h ILE 7 CO 0.14 0.00 0.17 -1.28 0.00 0.00 0.00 178.15 177.18 2obu h SER 8 N -0.02 0.17 -0.97 1.72 0.87 -0.53 0.26 113.55 115.06 2obu h SER 8 Ca -0.00 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2obu h SER 8 Cb 0.01 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.97 2obu h SER 8 CO 0.00 0.13 0.64 -0.78 -0.53 0.00 0.00 176.83 176.29 2obu h ASP 9 N 0.35 1.12 -0.17 6.23 1.82 -0.64 0.18 116.42 125.31 2obu h ASP 9 Ca 0.23 -0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.78 2obu h ASP 9 Cb 0.25 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 39.97 2obu h ASP 9 CO -0.24 0.82 -0.12 0.22 -1.61 0.00 0.00 179.24 178.31 2obu h TYR 10 N 1.32 0.44 -0.34 0.28 5.03 0.13 0.20 116.97 124.03 2obu h TYR 10 Ca 0.35 -0.12 -0.09 0.00 2.58 0.00 0.00 58.73 61.46 2obu h TYR 10 Cb -0.14 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.03 2obu h TYR 10 CO 0.00 0.72 -0.12 1.03 -1.32 0.00 0.00 178.16 178.47 2obu h SER 11 N 0.03 0.70 -0.11 -2.11 0.87 -0.42 0.66 113.55 113.18 2obu h SER 11 Ca 0.03 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2obu h SER 11 Cb 0.63 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2obu h SER 11 CO 0.03 0.92 0.06 0.40 -0.53 0.00 0.00 176.83 177.72 2obu h ILE 12 N 0.47 1.02 -0.84 2.23 2.04 -0.63 0.81 117.51 122.60 2obu h ILE 12 Ca 0.08 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 66.00 2obu h ILE 12 Cb 0.64 0.87 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 2obu h ILE 12 CO 0.04 0.02 0.48 0.00 0.00 0.00 0.00 178.15 178.69 2obu h ALA 13 N 1.05 1.21 -0.15 1.87 0.00 -0.37 0.55 119.26 123.42 2obu h ALA 13 Ca 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2obu h ALA 13 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2obu h ALA 13 CO -0.02 0.08 0.09 1.98 0.00 0.00 0.00 179.25 181.38 2obu h MET 14 N 0.78 0.21 -0.71 0.00 1.85 0.09 0.42 114.93 117.56 2obu h MET 14 Ca 0.41 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.46 2obu h MET 14 Cb 0.42 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.37 2obu h MET 14 CO -0.27 0.19 0.36 0.22 -0.40 0.00 0.00 176.91 177.01 2obu h ASP 15 N 0.17 0.90 0.02 1.39 3.58 0.58 -3.21 116.42 119.85 2obu h ASP 15 Ca 0.05 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 2obu h ASP 15 Cb 0.04 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.86 2obu h ASP 15 CO -0.01 0.75 -0.01 0.50 -2.88 0.00 0.00 179.24 177.59 2obu h LYS 16 N 1.00 -0.02 -0.84 0.28 1.63 0.47 -3.29 116.57 115.80 2obu h LYS 16 Ca 0.25 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 60.22 2obu h LYS 16 Cb 0.08 0.01 -0.16 0.00 -0.60 0.00 0.00 32.23 31.55 2obu h LYS 16 CO -0.03 0.73 -0.19 -0.89 -3.45 0.00 0.00 179.45 175.62 2obu n ILE 17 N -4.70 -0.35 -0.15 2.00 5.41 0.14 0.11 119.36 121.82 2obu n ILE 17 Ca -0.08 1.92 -0.09 0.00 1.00 0.00 0.00 62.75 65.49 2obu n ILE 17 Cb 0.37 -2.67 -0.01 0.00 -0.71 0.00 0.00 39.64 36.63 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 0.70 0.14 1.39 2.07 -1.67 0.19 115.15 117.96 2obu h HIS 18 Ca 0.41 -0.08 -0.01 0.00 -2.85 0.00 0.00 60.37 57.85 2obu h HIS 18 Cb 0.65 -0.20 0.00 0.00 2.57 0.00 0.00 27.41 30.44 2obu h HIS 18 CO -0.63 0.65 -0.06 0.37 -3.07 0.00 0.00 177.93 175.18 2obu h GLN 19 N 0.54 -0.17 -0.67 5.12 4.15 0.65 0.17 115.11 124.90 2obu h GLN 19 Ca 0.13 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.66 2obu h GLN 19 Cb 0.29 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.95 2obu h GLN 19 CO -0.00 -0.09 0.32 0.37 -1.93 0.00 0.00 178.83 177.50 2obu h GLN 20 N -0.22 0.54 -0.45 1.69 5.75 0.24 0.31 115.11 122.98 2obu h GLN 20 Ca -0.02 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 2obu h GLN 20 Cb 0.17 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 2obu h GLN 20 CO 0.03 0.36 0.10 0.22 -2.65 0.00 0.00 178.83 176.89 2obu h ASP 21 N 0.55 0.68 -0.50 -0.69 3.58 -0.36 0.19 116.42 119.88 2obu h ASP 21 Ca 0.33 -0.24 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 2obu h ASP 21 Cb 0.35 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2obu h ASP 21 CO -0.27 0.74 0.00 0.15 -2.88 0.00 0.00 179.24 176.99 2obu h PHE 22 N 0.59 1.00 0.43 0.28 3.57 0.91 0.15 116.94 123.87 2obu h PHE 22 Ca 0.14 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2obu h PHE 22 Cb 0.33 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2obu h PHE 22 CO 0.02 0.89 -0.21 0.28 -2.23 0.00 0.00 178.31 177.07 2obu h VAL 23 N 0.86 0.40 -0.14 1.41 2.07 -0.27 -0.45 116.25 120.12 2obu h VAL 23 Ca 0.16 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.16 2obu h VAL 23 Cb 0.50 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2obu h VAL 23 CO 0.02 0.07 0.11 -0.55 0.02 0.00 0.00 177.57 177.24 2obu h ASN 24 N -0.97 0.00 -0.13 0.57 7.08 -0.89 0.18 115.58 121.42 2obu h ASN 24 Ca -0.06 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.14 2obu h ASN 24 Cb 0.56 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.80 2obu h ASN 24 CO 0.10 0.00 -0.00 -0.25 -2.08 0.00 0.00 177.43 175.19 2obu h TRP 25 N 0.00 0.25 -0.18 4.14 7.01 -0.57 0.24 115.95 126.83 2obu h TRP 25 Ca 0.07 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.03 2obu h TRP 25 Cb 0.28 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.26 2obu h TRP 25 CO 0.00 0.47 0.09 -0.07 -2.79 0.00 0.00 178.44 176.14 2obu h LEU 26 N -0.04 0.13 -0.49 0.65 3.38 0.73 0.90 115.31 120.57 2obu h LEU 26 Ca 0.04 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2obu h LEU 26 Cb 0.37 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2obu h LEU 26 CO 0.01 0.10 0.30 -0.07 0.09 0.00 0.00 178.44 178.87 2obu h LEU 27 N 0.19 0.49 -1.56 1.67 3.38 -0.69 -0.60 115.31 118.20 2obu h LEU 27 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2obu h LEU 27 Cb 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2obu h LEU 27 CO -0.05 0.35 0.24 0.00 0.09 0.00 0.00 178.44 179.07 2obu h ALA 28 N 1.21 1.67 -1.07 1.53 0.00 -0.08 -0.43 119.26 122.08 2obu h ALA 28 Ca 0.19 -0.05 -0.71 0.00 0.00 0.00 0.00 54.91 54.35 2obu h ALA 28 Cb -0.00 -0.16 -0.31 0.00 0.00 0.00 0.00 17.79 17.32 2obu h ALA 28 CO -0.08 0.29 0.63 0.94 0.00 0.00 0.00 179.25 181.03 2obu n GLN 29 N -4.45 2.90 0.13 0.00 7.27 0.27 -3.92 117.38 119.58 2obu n GLN 29 Ca 0.03 -3.67 0.00 0.00 0.07 0.00 0.00 57.00 53.43 2obu n GLN 29 Cb 0.08 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.46 2obu n GLN 29 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2obu n LYS 30 N -0.61 0.00 0.32 3.69 5.02 -0.54 -4.59 118.16 121.45 2obu n LYS 30 Ca 0.53 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.99 2obu n LYS 30 Cb 0.43 0.00 0.88 0.00 -0.02 0.00 0.00 35.03 36.31 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 0.00 -5.07 0.72 0.00 -1.36 -2.89 103.07 94.47 2obu h GLY 31 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2obu h GLY 31 CO 0.00 0.00 -0.90 0.58 0.00 0.00 0.00 176.54 176.22 2obu n LYS 32 N -2.98 1.27 -0.00 4.80 0.00 -1.25 -4.93 118.16 115.06 2obu n LYS 32 Ca -0.02 -2.78 -0.17 0.00 -0.00 0.00 0.00 58.31 55.35 2obu n LYS 32 Cb 0.34 -0.87 -0.13 0.00 -0.00 0.00 0.00 35.03 34.38 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 2.53 0.24 -0.86 -1.58 3.11 -1.73 0.45 116.57 118.74 2obu h LYS 33 Ca -0.18 -0.32 0.18 0.00 -2.81 0.00 0.00 60.65 57.52 2obu h LYS 33 Cb 1.23 0.10 -0.06 0.00 -1.00 0.00 0.00 32.23 32.50 2obu h LYS 33 CO 0.25 1.07 0.57 -0.91 -2.81 0.00 0.00 179.45 177.63 2obu h ASN 34 N -0.44 0.45 1.05 4.20 4.21 -1.92 0.35 115.58 123.49 2obu h ASN 34 Ca -0.07 0.04 -0.18 0.00 1.21 0.00 0.00 56.30 57.29 2obu h ASN 34 Cb 1.27 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 38.40 2obu h ASN 34 CO 0.09 0.20 -0.99 0.44 -1.29 0.00 0.00 177.43 175.88 2obu h ASP 35 N 0.46 0.00 -6.30 5.81 3.45 -1.93 -3.48 116.42 114.43 2obu h ASP 35 Ca 0.44 0.00 -0.47 0.00 0.43 0.00 0.00 57.03 57.43 2obu h ASP 35 Cb 1.01 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.75 2obu h ASP 35 CO -0.17 0.78 -0.80 -2.67 -1.57 0.00 0.00 179.24 174.81 2obu n TRP 36 N -3.20 -2.07 -3.87 4.55 4.27 0.16 -1.85 117.44 115.43 2obu n TRP 36 Ca -0.03 0.86 -0.25 0.00 -3.89 0.00 0.00 57.50 54.19 2obu n TRP 36 Cb 0.87 -3.99 0.01 0.00 -1.36 0.00 0.00 31.31 26.84 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 -4.51 -4.19 0.05 -2.67 5.02 -1.21 -4.60 118.16 106.05 2obu n LYS 37 Ca -0.10 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2obu n LYS 37 Cb 0.59 -4.94 0.00 0.00 -0.02 0.00 0.00 35.03 30.66 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 -4.38 -2.17 -0.30 2.13 -0.00 -1.11 -4.95 115.22 104.44 2obu n HIS 38 Ca -0.24 0.32 0.12 0.00 0.46 0.00 0.00 57.72 58.38 2obu n HIS 38 Cb 0.65 1.04 0.37 0.00 -0.12 0.00 0.00 29.99 31.93 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 0.69 0.00 0.26 -1.24 -1.62 -3.43 115.58 110.24 2obu h ASN 39 Ca 0.00 0.05 -0.09 0.00 0.71 0.00 0.00 56.30 56.97 2obu h ASN 39 Cb 0.00 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 2obu h ASN 39 CO 0.00 0.32 0.18 0.00 -1.29 0.00 0.00 177.43 176.64 2obu n ILE 40 N -4.60 0.00 -0.01 2.57 0.00 -1.26 -4.84 119.36 111.22 2obu n ILE 40 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 62.75 62.94 2obu n ILE 40 Cb 0.51 -0.06 -0.00 0.00 0.00 0.00 0.00 39.64 40.08 2obu n ILE 40 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2obu h THR 41 N 0.91 0.00 -0.01 9.51 1.35 -2.02 -3.53 112.91 119.12 2obu h THR 41 Ca -0.01 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2obu h THR 41 Cb 0.17 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.59 2obu h THR 41 CO 0.15 0.00 0.00 1.67 -0.25 0.00 0.00 175.52 177.09