#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 -3.00 -0.14 -3.48 0.00 -1.26 -3.34 120.51 109.30 2obu n ALA 2 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 53.44 54.16 2obu n ALA 2 Cb 0.00 -1.22 0.34 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.12 0.77 0.00 0.00 4.57 -2.08 -2.34 114.58 114.38 2obu h GLU 3 Ca -0.13 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 2obu h GLU 3 Cb 1.09 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2obu h GLU 3 CO 0.05 0.51 0.10 0.41 -1.18 0.00 0.00 179.01 178.90 2obu n GLY 4 N -1.45 -0.33 0.27 1.92 0.00 -1.26 -2.82 105.19 101.51 2obu n GLY 4 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 2obu n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2obu h THR 5 N 0.00 0.31 -0.65 2.61 2.02 -1.42 0.19 112.91 115.97 2obu h THR 5 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2obu h THR 5 Cb 0.20 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2obu h THR 5 CO 0.00 0.00 0.21 2.19 0.37 0.00 0.00 175.52 178.29 2obu h PHE 6 N -0.04 1.01 0.11 3.16 -5.15 -1.81 0.45 116.94 114.68 2obu h PHE 6 Ca 0.30 -0.09 -0.01 0.00 -0.20 0.00 0.00 57.97 57.97 2obu h PHE 6 Cb 0.49 -0.30 0.00 0.00 0.22 0.00 0.00 35.95 36.37 2obu h PHE 6 CO -0.55 0.81 -0.05 0.82 -2.00 0.00 0.00 178.31 177.34 2obu h ILE 7 N 0.96 0.95 -0.46 0.88 2.04 -1.18 0.30 117.51 120.99 2obu h ILE 7 Ca 0.21 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.92 2obu h ILE 7 Cb 0.27 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 2obu h ILE 7 CO -0.01 0.05 0.20 -1.28 0.00 0.00 0.00 178.15 177.11 2obu h SER 8 N -0.24 0.26 -0.99 1.72 0.87 -0.33 0.15 113.55 114.99 2obu h SER 8 Ca -0.01 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2obu h SER 8 Cb 0.19 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 2obu h SER 8 CO 0.02 0.18 0.66 -0.78 -0.53 0.00 0.00 176.83 176.38 2obu h ASP 9 N 0.40 1.13 -0.15 6.23 3.58 -0.55 0.16 116.42 127.23 2obu h ASP 9 Ca 0.21 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 2obu h ASP 9 Cb 0.16 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.93 2obu h ASP 9 CO -0.18 0.81 -0.07 0.22 -2.88 0.00 0.00 179.24 177.14 2obu h TYR 10 N 1.33 0.36 -0.24 0.28 5.03 0.10 0.26 116.97 124.10 2obu h TYR 10 Ca 0.37 -0.09 -0.03 0.00 2.58 0.00 0.00 58.73 61.55 2obu h TYR 10 Cb -0.14 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.05 2obu h TYR 10 CO -0.00 0.64 0.01 1.03 -1.32 0.00 0.00 178.16 178.52 2obu h SER 11 N -0.02 0.40 -0.49 -2.11 0.87 -0.59 -0.10 113.55 111.51 2obu h SER 11 Ca 0.03 -0.29 0.04 0.00 -1.23 0.00 0.00 61.79 60.34 2obu h SER 11 Cb 0.54 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 2obu h SER 11 CO 0.02 0.59 0.25 0.40 -0.53 0.00 0.00 176.83 177.56 2obu h ILE 12 N 0.19 0.97 0.07 2.23 2.04 -0.67 -0.05 117.51 122.29 2obu h ILE 12 Ca 0.07 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2obu h ILE 12 Cb 0.38 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2obu h ILE 12 CO 0.01 0.09 -0.17 0.00 0.00 0.00 0.00 178.15 178.08 2obu h ALA 13 N 1.26 -0.26 -0.17 1.87 0.00 -0.11 0.39 119.26 122.24 2obu h ALA 13 Ca 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2obu h ALA 13 Cb 0.11 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2obu h ALA 13 CO -0.15 -0.69 -0.00 1.98 0.00 0.00 0.00 179.25 180.39 2obu h MET 14 N -0.32 0.05 -0.81 0.00 1.85 -0.46 1.08 114.93 116.32 2obu h MET 14 Ca 0.03 -0.00 0.07 0.00 -0.61 0.00 0.00 59.70 59.19 2obu h MET 14 Cb 0.35 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 32.30 2obu h MET 14 CO -0.11 0.03 0.49 0.22 -0.40 0.00 0.00 176.91 177.14 2obu h ASP 15 N 0.05 0.75 1.61 1.39 3.58 -0.69 -2.54 116.42 120.57 2obu h ASP 15 Ca 0.08 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2obu h ASP 15 Cb 0.10 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2obu h ASP 15 CO -0.14 0.47 -0.28 0.50 -2.88 0.00 0.00 179.24 176.92 2obu h LYS 16 N 0.88 0.00 -0.06 0.28 3.64 0.97 -3.30 116.57 118.98 2obu h LYS 16 Ca 0.36 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 2obu h LYS 16 Cb 0.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2obu h LYS 16 CO -0.19 0.00 -0.04 0.82 -2.27 0.00 0.00 179.45 177.77 2obu h ILE 17 N 0.00 1.34 -0.92 2.00 2.04 0.16 0.26 117.51 122.39 2obu h ILE 17 Ca 0.00 -1.10 0.08 0.00 1.00 0.00 0.00 64.86 64.85 2obu h ILE 17 Cb 0.94 1.95 -0.07 0.00 -0.74 0.00 0.00 36.82 38.90 2obu h ILE 17 CO 0.00 0.30 0.57 1.12 0.00 0.00 0.00 178.15 180.14 2obu h HIS 18 N -0.27 1.05 -0.08 1.37 2.07 -1.64 0.31 115.15 117.96 2obu h HIS 18 Ca 0.01 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.56 2obu h HIS 18 Cb 0.50 -0.34 -0.00 0.00 2.57 0.00 0.00 27.41 30.14 2obu h HIS 18 CO 0.08 0.49 0.04 0.37 -3.07 0.00 0.00 177.93 175.84 2obu h GLN 19 N 1.00 0.11 -0.36 5.12 4.15 -1.58 0.51 115.11 124.06 2obu h GLN 19 Ca 0.42 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.83 2obu h GLN 19 Cb 0.28 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 2obu h GLN 19 CO -0.21 0.16 0.23 0.37 -1.93 0.00 0.00 178.83 177.45 2obu h GLN 20 N 0.04 0.46 -0.66 1.69 5.75 0.13 0.24 115.11 122.75 2obu h GLN 20 Ca 0.03 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2obu h GLN 20 Cb 0.08 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 2obu h GLN 20 CO -0.00 0.30 0.43 0.22 -2.65 0.00 0.00 178.83 177.13 2obu h ASP 21 N 0.47 0.76 -0.63 -0.69 3.58 -0.39 0.47 116.42 120.00 2obu h ASP 21 Ca 0.13 -0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 2obu h ASP 21 Cb -0.04 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 2obu h ASP 21 CO -0.04 0.56 0.08 0.15 -2.88 0.00 0.00 179.24 177.12 2obu h PHE 22 N 0.89 1.15 0.56 0.28 3.57 0.28 0.16 116.94 123.83 2obu h PHE 22 Ca 0.24 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2obu h PHE 22 Cb -0.09 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 38.34 2obu h PHE 22 CO -0.03 0.97 -0.27 0.28 -2.23 0.00 0.00 178.31 177.04 2obu h VAL 23 N 1.00 0.27 -0.10 1.41 2.07 -0.19 -0.51 116.25 120.20 2obu h VAL 23 Ca 0.19 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.36 2obu h VAL 23 Cb 0.46 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2obu h VAL 23 CO 0.02 0.04 0.07 -0.55 0.02 0.00 0.00 177.57 177.17 2obu h ASN 24 N -1.05 0.01 -0.21 0.57 7.08 -0.84 0.14 115.58 121.28 2obu h ASN 24 Ca -0.08 -0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.12 2obu h ASN 24 Cb 0.64 -0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.87 2obu h ASN 24 CO 0.13 0.01 0.05 -0.25 -2.08 0.00 0.00 177.43 175.28 2obu h TRP 25 N 0.01 0.36 -0.20 4.14 7.01 -0.53 0.19 115.95 126.94 2obu h TRP 25 Ca 0.05 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.02 2obu h TRP 25 Cb 0.17 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 2obu h TRP 25 CO -0.00 0.46 0.05 -0.07 -2.79 0.00 0.00 178.44 176.09 2obu h LEU 26 N 0.15 0.04 -0.86 0.65 3.38 0.78 0.12 115.31 119.58 2obu h LEU 26 Ca 0.06 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.13 2obu h LEU 26 Cb 0.29 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 2obu h LEU 26 CO 0.00 0.05 0.53 -0.07 0.09 0.00 0.00 178.44 179.04 2obu h LEU 27 N 0.14 0.82 -1.16 1.67 3.38 -0.64 0.16 115.31 119.67 2obu h LEU 27 Ca 0.09 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2obu h LEU 27 Cb 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2obu h LEU 27 CO -0.10 0.51 0.26 0.00 0.09 0.00 0.00 178.44 179.20 2obu h ALA 28 N 1.42 1.34 -0.93 1.53 0.00 0.18 0.11 119.26 122.90 2obu h ALA 28 Ca 0.38 -0.14 -0.54 0.00 0.00 0.00 0.00 54.91 54.61 2obu h ALA 28 Cb 0.21 -0.24 -0.28 0.00 0.00 0.00 0.00 17.79 17.47 2obu h ALA 28 CO -0.19 0.50 0.69 0.94 0.00 0.00 0.00 179.25 181.19 2obu n GLN 29 N -4.34 2.31 0.14 0.00 7.27 0.35 -3.77 117.38 119.34 2obu n GLN 29 Ca 0.05 -2.90 0.00 0.00 0.07 0.00 0.00 57.00 54.23 2obu n GLN 29 Cb 0.15 -2.14 0.00 0.00 2.41 0.00 0.00 30.24 30.66 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 -0.94 0.00 0.25 3.69 5.02 0.15 -4.48 118.16 121.85 2obu n LYS 30 Ca 0.57 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 57.03 2obu n LYS 30 Cb 1.27 0.00 0.78 0.00 -0.02 0.00 0.00 35.03 37.06 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 -5.08 0.72 0.00 -1.03 -2.90 103.07 94.78 2obu h GLY 31 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 2obu h GLY 31 CO 0.00 0.00 -0.89 0.58 0.00 0.00 0.00 176.54 176.23 2obu n LYS 32 N -3.17 1.14 0.10 4.80 0.00 -1.25 -4.96 118.16 114.82 2obu n LYS 32 Ca 0.01 -2.74 -0.13 0.00 -0.00 0.00 0.00 58.31 55.45 2obu n LYS 32 Cb 0.47 -0.89 -0.08 0.00 -0.00 0.00 0.00 35.03 34.53 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 2.68 -0.23 -0.89 -1.58 3.11 -1.71 0.47 116.57 118.42 2obu h LYS 33 Ca -0.14 0.02 0.19 0.00 -2.81 0.00 0.00 60.65 57.90 2obu h LYS 33 Cb 1.20 0.05 -0.07 0.00 -1.00 0.00 0.00 32.23 32.41 2obu h LYS 33 CO 0.30 0.07 0.58 -0.91 -2.81 0.00 0.00 179.45 176.69 2obu h ASN 34 N -0.54 0.46 0.33 4.20 4.21 -1.93 -0.44 115.58 121.87 2obu h ASN 34 Ca -0.02 0.04 -0.33 0.00 1.21 0.00 0.00 56.30 57.20 2obu h ASN 34 Cb 0.41 -0.04 0.02 0.00 -1.12 0.00 0.00 38.32 37.59 2obu h ASN 34 CO 0.04 0.20 -1.51 -0.78 -1.29 0.00 0.00 177.43 174.08 2obu h ASP 35 N 0.46 0.67 -6.72 5.81 3.58 -1.94 -3.46 116.42 114.83 2obu h ASP 35 Ca 0.46 -0.80 -0.55 0.00 0.42 0.00 0.00 57.03 56.57 2obu h ASP 35 Cb 1.06 -0.22 -0.16 0.00 1.72 0.00 0.00 39.33 41.73 2obu h ASP 35 CO -0.19 1.64 -0.88 -2.67 -2.88 0.00 0.00 179.24 174.27 2obu n TRP 36 N -3.62 -1.61 -4.10 0.28 4.27 0.15 -2.14 117.44 110.66 2obu n TRP 36 Ca -0.17 0.75 -0.35 0.00 -3.89 0.00 0.00 57.50 53.83 2obu n TRP 36 Cb 1.08 -3.18 -0.03 0.00 -1.36 0.00 0.00 31.31 27.82 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 -4.40 -1.19 0.14 -2.67 4.01 -1.26 -4.67 118.16 108.11 2obu n LYS 37 Ca -0.13 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 2obu n LYS 37 Cb 0.59 -3.47 0.00 0.00 -0.51 0.00 0.00 35.03 31.64 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 -4.67 -3.65 -0.24 2.13 -0.00 -0.91 -4.91 115.22 102.97 2obu n HIS 38 Ca -0.23 0.93 0.21 0.00 0.46 0.00 0.00 57.72 59.09 2obu n HIS 38 Cb 0.64 2.50 0.55 0.00 -0.12 0.00 0.00 29.99 33.56 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 0.33 -1.26 0.26 -0.73 -1.73 -3.42 115.58 109.02 2obu h ASN 39 Ca 0.00 0.04 -0.66 0.00 1.87 0.00 0.00 56.30 57.54 2obu h ASN 39 Cb 0.00 -0.02 0.11 0.00 0.27 0.00 0.00 38.32 38.68 2obu h ASN 39 CO 0.00 0.12 -0.38 0.00 -0.37 0.00 0.00 177.43 176.81 2obu n ILE 40 N -4.48 1.88 -1.39 2.57 0.13 -1.26 -4.94 119.36 111.87 2obu n ILE 40 Ca 0.20 -0.47 -0.30 0.00 -1.10 0.00 0.00 62.75 61.08 2obu n ILE 40 Cb 0.77 -0.18 0.22 0.00 -0.84 0.00 0.00 39.64 39.61 2obu n ILE 40 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 2obu s THR 41 N -0.94 1.74 -2.73 9.51 -1.32 -1.26 -5.13 115.64 115.51 2obu s THR 41 Ca 0.65 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.39 2obu s THR 41 Cb -0.91 -2.67 0.39 0.00 -1.51 0.00 0.00 72.50 67.79 2obu s THR 41 CO 0.57 0.00 1.52 0.00 -2.21 0.00 0.00 174.62 174.50