#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 0.39 -0.21 -3.48 0.00 -1.26 -4.74 120.51 111.21 2obu n ALA 2 Ca 0.00 -1.34 0.05 0.00 0.00 0.00 0.00 53.44 52.15 2obu n ALA 2 Cb 0.00 -3.26 0.31 0.00 0.00 0.00 0.00 19.45 16.50 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 13.39 0.83 0.00 0.00 4.22 -2.08 -0.76 114.58 130.18 2obu h GLU 3 Ca -0.02 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.37 2obu h GLU 3 Cb 1.03 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2obu h GLU 3 CO 1.03 0.55 0.20 0.41 -2.18 0.00 0.00 179.01 179.02 2obu n GLY 4 N -1.43 -0.45 0.33 1.92 0.00 -1.26 -2.77 105.19 101.53 2obu n GLY 4 Ca 0.11 0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.33 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 0.11 -0.76 2.61 2.02 -1.52 0.53 112.91 115.90 2obu h THR 5 Ca 0.00 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2obu h THR 5 Cb 0.40 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 2obu h THR 5 CO 0.00 0.01 0.27 2.19 0.37 0.00 0.00 175.52 178.36 2obu h PHE 6 N 0.06 1.19 0.05 3.16 -5.15 -1.79 0.78 116.94 115.24 2obu h PHE 6 Ca 0.61 -0.10 -0.00 0.00 -0.20 0.00 0.00 57.97 58.27 2obu h PHE 6 Cb 1.30 -0.35 0.00 0.00 0.22 0.00 0.00 35.95 37.12 2obu h PHE 6 CO -0.38 0.92 -0.02 0.82 -2.00 0.00 0.00 178.31 177.65 2obu h ILE 7 N 1.12 0.96 -0.42 0.88 2.04 -0.27 0.37 117.51 122.19 2obu h ILE 7 Ca 0.25 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.12 2obu h ILE 7 Cb 0.26 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 2obu h ILE 7 CO -0.01 0.01 0.14 -1.28 0.00 0.00 0.00 178.15 177.01 2obu h SER 8 N -0.09 0.14 -0.83 1.72 0.87 -0.48 0.25 113.55 115.13 2obu h SER 8 Ca -0.01 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2obu h SER 8 Cb 0.07 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 2obu h SER 8 CO 0.01 0.11 0.50 -0.78 -0.53 0.00 0.00 176.83 176.15 2obu h ASP 9 N 0.30 1.01 -0.22 6.23 3.58 -0.41 0.17 116.42 127.08 2obu h ASP 9 Ca 0.19 -0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.47 2obu h ASP 9 Cb 0.19 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 2obu h ASP 9 CO -0.20 0.77 -0.30 0.22 -2.88 0.00 0.00 179.24 176.85 2obu h TYR 10 N 1.15 0.72 -0.29 0.28 3.20 0.11 0.24 116.97 122.38 2obu h TYR 10 Ca 0.30 -0.24 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 2obu h TYR 10 Cb -0.04 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2obu h TYR 10 CO 0.00 0.96 -0.16 1.03 -1.64 0.00 0.00 178.16 178.36 2obu h SER 11 N 0.27 0.64 -0.32 -2.11 0.87 -0.40 0.20 113.55 112.70 2obu h SER 11 Ca 0.02 -0.42 0.02 0.00 -1.23 0.00 0.00 61.79 60.19 2obu h SER 11 Cb 0.88 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2obu h SER 11 CO 0.07 0.92 0.17 0.40 -0.53 0.00 0.00 176.83 177.86 2obu h ILE 12 N 0.37 1.00 -0.70 2.23 2.04 -0.65 -0.17 117.51 121.63 2obu h ILE 12 Ca 0.06 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2obu h ILE 12 Cb 0.69 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 2obu h ILE 12 CO 0.05 0.06 0.43 0.00 0.00 0.00 0.00 178.15 178.68 2obu h ALA 13 N 1.16 0.93 -0.06 1.87 0.00 -0.26 0.43 119.26 123.32 2obu h ALA 13 Ca 0.13 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2obu h ALA 13 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2obu h ALA 13 CO -0.08 0.16 -0.05 1.98 0.00 0.00 0.00 179.25 181.26 2obu h MET 14 N 0.81 -0.05 -0.50 0.00 1.85 0.37 0.38 114.93 117.78 2obu h MET 14 Ca 0.30 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.35 2obu h MET 14 Cb 0.09 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.11 2obu h MET 14 CO -0.14 -0.04 0.17 0.22 -0.40 0.00 0.00 176.91 176.73 2obu h ASP 15 N -0.06 0.72 0.21 1.39 3.58 -0.49 -3.18 116.42 118.60 2obu h ASP 15 Ca 0.04 -0.19 -0.18 0.00 0.42 0.00 0.00 57.03 57.12 2obu h ASP 15 Cb 0.12 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 2obu h ASP 15 CO -0.10 0.72 -0.71 0.50 -2.88 0.00 0.00 179.24 176.77 2obu h LYS 16 N 0.67 0.44 0.53 0.28 3.64 0.24 -3.16 116.57 119.20 2obu h LYS 16 Ca 0.16 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 2obu h LYS 16 Cb 0.25 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2obu h LYS 16 CO -0.01 0.98 -0.40 0.82 -2.27 0.00 0.00 179.45 178.57 2obu h ILE 17 N 0.30 0.19 -0.89 2.00 2.04 -0.23 0.55 117.51 121.46 2obu h ILE 17 Ca -0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.92 2obu h ILE 17 Cb 1.28 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 2obu h ILE 17 CO 0.12 0.00 0.54 1.12 0.00 0.00 0.00 178.15 179.94 2obu h HIS 18 N -0.91 1.00 -0.61 1.37 2.07 -1.63 0.24 115.15 116.68 2obu h HIS 18 Ca -0.06 0.03 -0.05 0.00 -2.85 0.00 0.00 60.37 57.44 2obu h HIS 18 Cb 0.77 -0.32 -0.03 0.00 2.57 0.00 0.00 27.41 30.41 2obu h HIS 18 CO -0.16 0.45 0.17 0.37 -3.07 0.00 0.00 177.93 175.68 2obu h GLN 19 N 0.94 0.96 -0.25 5.12 5.75 -1.39 -0.16 115.11 126.07 2obu h GLN 19 Ca 0.41 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.66 2obu h GLN 19 Cb 0.30 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 2obu h GLN 19 CO -0.22 0.87 0.01 0.37 -2.65 0.00 0.00 178.83 177.21 2obu h GLN 20 N 0.87 0.44 -1.00 1.69 5.75 0.19 0.48 115.11 123.54 2obu h GLN 20 Ca 0.19 -0.14 0.06 0.00 -0.15 0.00 0.00 58.65 58.61 2obu h GLN 20 Cb 0.33 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.77 2obu h GLN 20 CO -0.00 0.60 0.65 -0.44 -2.65 0.00 0.00 178.83 176.99 2obu h ASP 21 N 0.22 1.04 -0.46 -0.69 3.45 -0.48 0.29 116.42 119.79 2obu h ASP 21 Ca 0.07 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.47 2obu h ASP 21 Cb 0.40 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 2obu h ASP 21 CO 0.01 0.68 0.05 0.15 -1.57 0.00 0.00 179.24 178.56 2obu h PHE 22 N 1.19 0.85 0.45 4.55 3.57 -0.26 0.34 116.94 127.62 2obu h PHE 22 Ca 0.42 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 2obu h PHE 22 Cb 0.13 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2obu h PHE 22 CO -0.00 0.80 -0.21 0.28 -2.23 0.00 0.00 178.31 176.95 2obu h VAL 23 N 0.65 0.51 -1.00 1.41 2.07 -0.31 -0.47 116.25 119.11 2obu h VAL 23 Ca 0.14 -0.38 0.23 0.00 0.82 0.00 0.00 66.70 67.51 2obu h VAL 23 Cb 0.43 0.67 -0.10 0.00 -1.52 0.00 0.00 31.29 30.77 2obu h VAL 23 CO 0.01 0.06 0.63 0.78 0.02 0.00 0.00 177.57 179.08 2obu h ASN 24 N -0.84 0.58 -0.06 0.57 4.21 -0.36 0.14 115.58 119.83 2obu h ASN 24 Ca -0.06 0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 2obu h ASN 24 Cb 0.56 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.75 2obu h ASN 24 CO 0.10 0.16 0.01 -0.25 -1.29 0.00 0.00 177.43 176.16 2obu h TRP 25 N 0.54 0.10 -0.91 1.19 7.01 -0.01 0.33 115.95 124.21 2obu h TRP 25 Ca 0.58 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.66 2obu h TRP 25 Cb 1.22 -0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 28.18 2obu h TRP 25 CO -0.00 0.32 0.56 -0.07 -2.79 0.00 0.00 178.44 176.45 2obu h LEU 26 N -0.15 0.83 -0.69 0.65 3.38 0.86 0.22 115.31 120.41 2obu h LEU 26 Ca 0.02 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2obu h LEU 26 Cb 0.28 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2obu h LEU 26 CO 0.00 0.48 0.10 -0.07 0.09 0.00 0.00 178.44 179.03 2obu h LEU 27 N 0.93 1.06 -1.77 1.67 3.38 -0.55 -1.91 115.31 118.13 2obu h LEU 27 Ca 0.43 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2obu h LEU 27 Cb 0.35 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2obu h LEU 27 CO -0.23 1.05 -0.09 0.00 0.09 0.00 0.00 178.44 179.26 2obu h ALA 28 N 1.06 1.81 -0.09 1.53 0.00 0.19 0.16 119.26 123.92 2obu h ALA 28 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2obu h ALA 28 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2obu h ALA 28 CO 0.01 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.45 2obu n GLN 29 N -4.41 1.62 0.17 0.00 1.13 0.54 -3.90 117.38 112.52 2obu n GLN 29 Ca -0.02 -0.50 0.00 0.00 -1.94 0.00 0.00 57.00 54.54 2obu n GLN 29 Cb 0.18 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 28.91 2obu n GLN 29 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2obu n LYS 30 N 0.10 0.00 0.28 -1.09 4.81 -0.04 -4.55 118.16 117.66 2obu n LYS 30 Ca 0.04 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.65 2obu n LYS 30 Cb 0.40 0.00 0.81 0.00 0.02 0.00 0.00 35.03 36.26 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 -5.00 3.14 0.00 -1.00 -2.57 103.07 97.65 2obu h GLY 31 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2obu h GLY 31 CO 0.00 0.00 -1.14 0.58 0.00 0.00 0.00 176.54 175.98 2obu n LYS 32 N -3.12 1.14 0.14 4.80 0.00 -1.25 -4.95 118.16 114.92 2obu n LYS 32 Ca 0.00 -3.14 -0.14 0.00 -0.00 0.00 0.00 58.31 55.03 2obu n LYS 32 Cb 0.42 -1.15 -0.08 0.00 -0.00 0.00 0.00 35.03 34.22 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 2.92 -0.33 -1.04 -1.58 3.11 -1.67 0.66 116.57 118.64 2obu h LYS 33 Ca -0.11 0.02 0.27 0.00 -2.81 0.00 0.00 60.65 58.02 2obu h LYS 33 Cb 1.19 0.08 -0.10 0.00 -1.00 0.00 0.00 32.23 32.40 2obu h LYS 33 CO 0.46 -0.08 0.66 -0.91 -2.81 0.00 0.00 179.45 176.77 2obu h ASN 34 N -0.56 0.47 -0.00 4.20 4.21 -1.93 0.34 115.58 122.32 2obu h ASN 34 Ca -0.04 0.09 -0.18 0.00 1.21 0.00 0.00 56.30 57.39 2obu h ASN 34 Cb 0.41 0.02 0.01 0.00 -1.12 0.00 0.00 38.32 37.64 2obu h ASN 34 CO 0.06 0.08 -0.70 -0.78 -1.29 0.00 0.00 177.43 174.80 2obu h ASP 35 N 0.41 0.62 -6.69 5.81 3.58 -1.90 -3.46 116.42 114.80 2obu h ASP 35 Ca 0.61 -0.75 -0.54 0.00 0.42 0.00 0.00 57.03 56.76 2obu h ASP 35 Cb 1.49 -0.19 -0.16 0.00 1.72 0.00 0.00 39.33 42.18 2obu h ASP 35 CO -0.32 1.29 -0.85 -2.67 -2.88 0.00 0.00 179.24 173.81 2obu n TRP 36 N -4.13 -1.71 -4.04 0.28 4.27 0.12 -2.25 117.44 109.97 2obu n TRP 36 Ca -0.10 0.78 -0.44 0.00 -3.89 0.00 0.00 57.50 53.85 2obu n TRP 36 Cb 0.72 -3.17 0.02 0.00 -1.36 0.00 0.00 31.31 27.51 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 -4.41 -0.44 0.11 -2.67 4.01 -1.26 -4.73 118.16 108.78 2obu n LYS 37 Ca -0.04 0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.88 2obu n LYS 37 Cb 0.55 -2.80 0.00 0.00 -0.51 0.00 0.00 35.03 32.27 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 -4.93 -3.48 -0.25 2.13 -0.00 -0.95 -4.92 115.22 102.81 2obu n HIS 38 Ca -0.12 0.78 0.09 0.00 0.46 0.00 0.00 57.72 58.92 2obu n HIS 38 Cb 0.57 2.17 0.34 0.00 -0.12 0.00 0.00 29.99 32.96 2obu n HIS 38 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 2obu h ASN 39 N 0.00 0.72 -0.72 0.26 2.35 -1.82 -3.43 115.58 112.94 2obu h ASN 39 Ca 0.00 0.02 -0.58 0.00 -0.55 0.00 0.00 56.30 55.19 2obu h ASN 39 Cb 0.00 -0.12 0.03 0.00 0.05 0.00 0.00 38.32 38.28 2obu h ASN 39 CO 0.00 0.41 0.12 0.00 -1.65 0.00 0.00 177.43 176.31 2obu n ILE 40 N -4.53 0.00 -0.13 2.81 3.06 -1.26 -4.90 119.36 114.41 2obu n ILE 40 Ca 0.15 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 60.20 2obu n ILE 40 Cb 0.34 -0.06 -0.12 0.00 0.54 0.00 0.00 39.64 40.35 2obu n ILE 40 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2obu n THR 41 N 1.37 1.49 1.66 9.51 -2.24 -1.26 -5.13 114.28 119.68 2obu n THR 41 Ca 0.16 -0.53 0.15 0.00 -2.27 0.00 0.00 64.05 61.55 2obu n THR 41 Cb 0.04 -1.50 0.66 0.00 -2.10 0.00 0.00 70.33 67.43 2obu n THR 41 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17