#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 -2.72 -1.69 -3.48 0.00 -1.26 -4.18 120.51 107.18 2obu n ALA 2 Ca 0.00 0.56 -0.39 0.00 0.00 0.00 0.00 53.44 53.60 2obu n ALA 2 Cb 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.41 2obu n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2obu n GLU 3 N -3.77 1.56 0.00 0.00 4.07 -1.26 -2.32 120.64 118.91 2obu n GLU 3 Ca -0.04 0.57 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 2obu n GLU 3 Cb 0.49 -2.38 0.00 0.00 -0.06 0.00 0.00 31.44 29.49 2obu n GLU 3 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2obu n GLY 4 N 0.93 2.67 0.36 8.31 0.00 -1.26 -4.91 105.19 111.28 2obu n GLY 4 Ca 0.10 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.98 2obu n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2obu h THR 5 N 0.00 0.95 -0.21 2.61 1.03 -1.63 0.82 112.91 116.49 2obu h THR 5 Ca 0.00 -0.35 -0.19 0.00 -0.01 0.00 0.00 66.41 65.86 2obu h THR 5 Cb 0.00 -0.15 0.00 0.00 -1.07 0.00 0.00 68.15 66.93 2obu h THR 5 CO 0.00 0.18 -0.62 2.19 -0.01 0.00 0.00 175.52 177.26 2obu h PHE 6 N 1.01 0.93 -0.10 0.00 -5.15 -1.91 -0.88 116.94 110.84 2obu h PHE 6 Ca 0.48 -0.36 0.01 0.00 -0.20 0.00 0.00 57.97 57.90 2obu h PHE 6 Cb 0.42 -0.16 -0.01 0.00 0.22 0.00 0.00 35.95 36.41 2obu h PHE 6 CO -0.01 1.16 0.02 0.82 -2.00 0.00 0.00 178.31 178.29 2obu h ILE 7 N 0.54 0.95 -0.14 0.88 1.08 -1.67 0.43 117.51 119.57 2obu h ILE 7 Ca -0.01 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.47 2obu h ILE 7 Cb 1.22 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 2obu h ILE 7 CO 0.13 0.01 -0.01 -1.28 -0.69 0.00 0.00 178.15 176.31 2obu h SER 8 N 0.06 -0.08 -0.76 1.72 0.87 -0.77 0.11 113.55 114.70 2obu h SER 8 Ca 0.05 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 2obu h SER 8 Cb 0.04 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 2obu h SER 8 CO -0.07 -0.02 0.50 -0.78 -0.53 0.00 0.00 176.83 175.93 2obu h ASP 9 N 0.03 0.73 -0.07 6.23 3.58 -0.63 0.16 116.42 126.45 2obu h ASP 9 Ca 0.07 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 2obu h ASP 9 Cb 0.09 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2obu h ASP 9 CO -0.12 0.48 -0.17 0.22 -2.88 0.00 0.00 179.24 176.77 2obu h TYR 10 N 0.83 0.30 -0.31 0.28 5.03 0.10 0.35 116.97 123.55 2obu h TYR 10 Ca 0.32 -0.11 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 2obu h TYR 10 Cb 0.20 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 2obu h TYR 10 CO -0.00 0.77 0.12 1.03 -1.32 0.00 0.00 178.16 178.76 2obu h SER 11 N -0.27 0.43 -0.97 -2.11 0.87 -0.61 -0.98 113.55 109.92 2obu h SER 11 Ca -0.00 -0.17 0.06 0.00 -1.23 0.00 0.00 61.79 60.44 2obu h SER 11 Cb 0.77 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.55 2obu h SER 11 CO 0.04 0.49 0.63 0.40 -0.53 0.00 0.00 176.83 177.85 2obu h ILE 12 N 0.35 1.11 0.06 2.23 1.08 -0.68 -0.23 117.51 121.42 2obu h ILE 12 Ca 0.10 -0.40 0.01 0.00 -0.39 0.00 0.00 64.86 64.18 2obu h ILE 12 Cb 0.19 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 33.77 2obu h ILE 12 CO -0.01 0.21 -0.10 0.00 -0.69 0.00 0.00 178.15 177.57 2obu h ALA 13 N 1.43 -0.15 0.16 1.87 0.00 0.50 0.35 119.26 123.43 2obu h ALA 13 Ca 0.41 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.32 2obu h ALA 13 Cb 0.12 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2obu h ALA 13 CO -0.16 -0.61 -0.22 1.98 0.00 0.00 0.00 179.25 180.24 2obu h MET 14 N -0.20 -0.43 -0.59 0.00 1.85 -0.41 0.56 114.93 115.73 2obu h MET 14 Ca 0.02 0.03 0.07 0.00 -0.61 0.00 0.00 59.70 59.21 2obu h MET 14 Cb 0.21 0.10 -0.06 0.00 0.43 0.00 0.00 31.60 32.28 2obu h MET 14 CO -0.06 -0.28 0.27 0.22 -0.40 0.00 0.00 176.91 176.66 2obu h ASP 15 N -0.44 0.35 1.00 1.39 3.58 -0.78 -2.09 116.42 119.43 2obu h ASP 15 Ca 0.01 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.38 2obu h ASP 15 Cb 0.44 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 2obu h ASP 15 CO -0.09 0.23 -0.62 0.50 -2.88 0.00 0.00 179.24 176.37 2obu h LYS 16 N 0.50 0.00 0.26 0.28 3.64 0.11 -3.18 116.57 118.19 2obu h LYS 16 Ca 0.28 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2obu h LYS 16 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2obu h LYS 16 CO -0.23 0.62 -0.13 0.82 -2.27 0.00 0.00 179.45 178.27 2obu h ILE 17 N 0.00 0.79 -0.86 2.00 2.04 0.83 0.44 117.51 122.74 2obu h ILE 17 Ca -0.01 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.47 2obu h ILE 17 Cb 1.29 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 2obu h ILE 17 CO 0.08 0.10 0.53 1.12 0.00 0.00 0.00 178.15 179.98 2obu h HIS 18 N -0.59 0.98 0.03 1.37 2.07 -1.57 0.33 115.15 117.76 2obu h HIS 18 Ca -0.04 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.51 2obu h HIS 18 Cb 0.43 -0.31 0.00 0.00 2.57 0.00 0.00 27.41 30.10 2obu h HIS 18 CO 0.00 0.47 -0.01 0.37 -3.07 0.00 0.00 177.93 175.69 2obu h GLN 19 N 0.95 -0.04 -0.31 5.12 4.15 -1.50 -0.00 115.11 123.48 2obu h GLN 19 Ca 0.39 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.80 2obu h GLN 19 Cb 0.22 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2obu h GLN 19 CO -0.19 0.12 0.15 0.37 -1.93 0.00 0.00 178.83 177.35 2obu h GLN 20 N -0.19 0.44 -0.73 1.69 5.75 0.95 0.28 115.11 123.31 2obu h GLN 20 Ca -0.00 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.47 2obu h GLN 20 Cb 0.18 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 2obu h GLN 20 CO 0.01 0.41 0.44 0.22 -2.65 0.00 0.00 178.83 177.26 2obu h ASP 21 N 0.36 0.71 -0.58 -0.69 3.58 -0.38 0.27 116.42 119.68 2obu h ASP 21 Ca 0.11 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.48 2obu h ASP 21 Cb 0.12 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 2obu h ASP 21 CO -0.01 0.48 0.03 0.15 -2.88 0.00 0.00 179.24 177.00 2obu h PHE 22 N 0.85 1.11 0.24 0.28 3.57 0.20 0.39 116.94 123.58 2obu h PHE 22 Ca 0.30 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2obu h PHE 22 Cb 0.08 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.53 2obu h PHE 22 CO -0.05 0.97 -0.12 0.28 -2.23 0.00 0.00 178.31 177.16 2obu h VAL 23 N 0.95 0.82 -0.84 1.41 2.07 0.01 -0.44 116.25 120.23 2obu h VAL 23 Ca 0.18 -0.44 0.17 0.00 0.82 0.00 0.00 66.70 67.43 2obu h VAL 23 Cb 0.51 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 2obu h VAL 23 CO 0.02 0.10 0.55 0.78 0.02 0.00 0.00 177.57 179.04 2obu h ASN 24 N -0.55 0.47 -0.41 0.57 4.21 -0.21 0.24 115.58 119.89 2obu h ASN 24 Ca -0.03 0.03 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 2obu h ASN 24 Cb 0.41 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 2obu h ASN 24 CO 0.05 0.22 -0.04 -0.25 -1.29 0.00 0.00 177.43 176.13 2obu h TRP 25 N 0.49 0.82 -0.68 1.19 7.01 0.21 0.37 115.95 125.36 2obu h TRP 25 Ca 0.43 -0.16 -0.03 0.00 2.11 0.00 0.00 58.89 61.24 2obu h TRP 25 Cb 0.92 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.74 2obu h TRP 25 CO -0.00 0.84 0.32 -0.07 -2.79 0.00 0.00 178.44 176.73 2obu h LEU 26 N 0.56 0.90 -0.76 0.65 3.38 0.85 0.23 115.31 121.12 2obu h LEU 26 Ca 0.11 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2obu h LEU 26 Cb 0.54 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2obu h LEU 26 CO 0.03 0.79 0.20 -0.07 0.09 0.00 0.00 178.44 179.48 2obu h LEU 27 N 0.95 1.07 -1.21 1.67 3.38 -0.39 -0.23 115.31 120.55 2obu h LEU 27 Ca 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2obu h LEU 27 Cb 0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2obu h LEU 27 CO -0.03 1.01 0.39 0.00 0.09 0.00 0.00 178.44 179.91 2obu h ALA 28 N 1.12 1.40 -0.22 1.53 0.00 0.22 0.39 119.26 123.71 2obu h ALA 28 Ca 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2obu h ALA 28 Cb 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2obu h ALA 28 CO -0.00 0.50 0.04 0.94 0.00 0.00 0.00 179.25 180.73 2obu n GLN 29 N -4.38 2.12 0.12 0.00 -0.06 0.76 -3.61 117.38 112.33 2obu n GLN 29 Ca 0.07 -1.03 0.00 0.00 -2.00 0.00 0.00 57.00 54.04 2obu n GLN 29 Cb 0.08 -1.68 0.00 0.00 -4.06 0.00 0.00 30.24 24.58 2obu n GLN 29 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2obu n LYS 30 N 0.16 0.00 0.13 3.69 5.02 -0.36 -4.13 118.16 122.67 2obu n LYS 30 Ca 0.11 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.45 2obu n LYS 30 Cb 0.63 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.91 2obu n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2obu n GLY 31 N 1.34 -0.53 1.46 0.72 0.00 0.13 -1.69 105.19 106.61 2obu n GLY 31 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2obu n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2obu n LYS 32 N -1.89 0.00 -0.24 1.61 4.01 -1.24 -4.52 118.16 115.90 2obu n LYS 32 Ca -0.01 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.77 2obu n LYS 32 Cb 0.33 -0.28 0.08 0.00 -0.51 0.00 0.00 35.03 34.65 2obu n LYS 32 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2obu h LYS 33 N 0.00 0.75 0.00 1.97 3.11 -1.64 -1.87 116.57 118.90 2obu h LYS 33 Ca 0.00 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 2obu h LYS 33 Cb 0.19 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 2obu h LYS 33 CO 0.00 0.50 0.00 -0.91 -2.81 0.00 0.00 179.45 176.23 2obu h ASN 34 N 0.78 0.00 0.54 4.20 -0.26 -1.48 0.20 115.58 119.56 2obu h ASN 34 Ca 0.28 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.00 2obu h ASN 34 Cb 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 2obu h ASN 34 CO -0.14 0.00 -0.30 0.44 -1.06 0.00 0.00 177.43 176.37 2obu h ASP 35 N 0.00 -0.75 1.00 5.81 3.45 -1.14 -3.10 116.42 121.69 2obu h ASP 35 Ca 0.00 0.04 -0.10 0.00 0.43 0.00 0.00 57.03 57.40 2obu h ASP 35 Cb 0.96 0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.92 2obu h ASP 35 CO 0.00 -0.48 -0.47 4.11 -1.57 0.00 0.00 179.24 180.83 2obu h TRP 36 N -0.78 0.00 -6.40 4.55 5.08 -1.63 -3.47 115.95 113.29 2obu h TRP 36 Ca -0.07 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.43 2obu h TRP 36 Cb 0.62 0.00 -0.22 0.00 -3.00 0.00 0.00 29.16 26.56 2obu h TRP 36 CO 0.02 0.47 -0.71 1.17 -1.28 0.00 0.00 178.44 178.11 2obu n LYS 37 N -3.46 -0.88 -0.12 0.12 3.00 0.70 -4.81 118.16 112.72 2obu n LYS 37 Ca 0.00 0.08 -0.23 0.00 -0.00 0.00 0.00 58.31 58.16 2obu n LYS 37 Cb 0.60 -3.08 -0.10 0.00 0.00 0.00 0.00 35.03 32.46 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 -3.48 0.00 -0.35 5.64 -0.00 -1.26 -4.40 115.22 111.37 2obu n HIS 38 Ca -0.10 0.00 0.32 0.00 0.46 0.00 0.00 57.72 58.40 2obu n HIS 38 Cb 0.45 -0.90 0.66 0.00 -0.12 0.00 0.00 29.99 30.07 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 -0.61 0.19 -1.05 0.26 -1.24 -1.89 -3.42 115.58 107.81 2obu h ASN 39 Ca -0.60 0.05 -0.70 0.00 0.71 0.00 0.00 56.30 55.75 2obu h ASN 39 Cb 1.64 0.02 0.09 0.00 0.73 0.00 0.00 38.32 40.80 2obu h ASN 39 CO -0.29 0.01 -0.34 0.00 -1.29 0.00 0.00 177.43 175.53 2obu n ILE 40 N -4.39 1.43 -0.03 2.57 0.13 -1.26 -4.92 119.36 112.89 2obu n ILE 40 Ca 0.28 -0.36 -0.02 0.00 -1.10 0.00 0.00 62.75 61.55 2obu n ILE 40 Cb 1.17 -0.04 -0.01 0.00 -0.84 0.00 0.00 39.64 39.92 2obu n ILE 40 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 2obu h THR 41 N 1.60 0.00 -0.03 9.51 1.35 -1.97 -3.53 112.91 119.85 2obu h THR 41 Ca -0.35 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2obu h THR 41 Cb 1.43 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2obu h THR 41 CO 0.60 0.00 0.00 1.67 -0.25 0.00 0.00 175.52 177.54