#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 -2.40 -1.63 -3.48 0.00 -1.26 -4.47 120.51 107.27 2obu n ALA 2 Ca 0.00 0.52 -0.36 0.00 0.00 0.00 0.00 53.44 53.59 2obu n ALA 2 Cb 0.00 -0.96 0.07 0.00 0.00 0.00 0.00 19.45 18.56 2obu n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2obu s GLU 3 N -3.27 2.46 0.00 0.00 2.12 -1.26 -2.80 118.70 115.95 2obu s GLU 3 Ca 0.00 1.98 0.00 0.00 0.36 0.00 0.00 54.97 57.31 2obu s GLU 3 Cb 0.00 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.55 2obu s GLU 3 CO 0.00 -1.65 0.00 0.41 -0.54 0.00 0.00 175.26 173.48 2obu n GLY 4 N 0.78 2.34 0.19 -1.50 0.00 -1.26 -4.91 105.19 100.82 2obu n GLY 4 Ca 0.15 -0.44 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 1.00 -0.56 2.61 2.02 -1.74 0.18 112.91 116.42 2obu h THR 5 Ca 0.00 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 2obu h THR 5 Cb 0.00 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 2obu h THR 5 CO 0.00 0.09 -0.04 2.19 0.37 0.00 0.00 175.52 178.13 2obu h PHE 6 N 0.48 1.10 0.12 3.16 -5.15 -1.91 0.23 116.94 114.97 2obu h PHE 6 Ca 0.18 -0.20 -0.01 0.00 -0.20 0.00 0.00 57.97 57.75 2obu h PHE 6 Cb 0.06 -0.28 0.00 0.00 0.22 0.00 0.00 35.95 35.95 2obu h PHE 6 CO -0.09 0.99 -0.06 0.82 -2.00 0.00 0.00 178.31 177.98 2obu h ILE 7 N 0.91 0.98 -0.59 0.88 2.04 -1.88 0.23 117.51 120.08 2obu h ILE 7 Ca 0.16 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.66 2obu h ILE 7 Cb 0.58 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 2obu h ILE 7 CO 0.04 0.10 0.30 -1.28 0.00 0.00 0.00 178.15 177.31 2obu h SER 8 N -0.36 0.43 -0.85 1.72 0.87 -0.45 0.16 113.55 115.07 2obu h SER 8 Ca -0.02 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2obu h SER 8 Cb 0.29 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 2obu h SER 8 CO 0.03 0.28 0.50 -0.78 -0.53 0.00 0.00 176.83 176.33 2obu h ASP 9 N 0.57 1.03 -0.11 6.23 1.82 -0.25 0.24 116.42 125.95 2obu h ASP 9 Ca 0.27 -0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.80 2obu h ASP 9 Cb 0.19 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 39.93 2obu h ASP 9 CO -0.19 0.80 -0.10 0.22 -1.61 0.00 0.00 179.24 178.36 2obu h TYR 10 N 1.18 0.32 -0.23 0.28 3.20 0.10 0.33 116.97 122.14 2obu h TYR 10 Ca 0.31 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 2obu h TYR 10 Cb -0.03 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 2obu h TYR 10 CO 0.01 0.68 0.01 1.03 -1.64 0.00 0.00 178.16 178.24 2obu h SER 11 N -0.13 0.39 -0.41 -2.11 0.87 -0.63 -0.79 113.55 110.75 2obu h SER 11 Ca 0.02 -0.29 0.05 0.00 -1.23 0.00 0.00 61.79 60.34 2obu h SER 11 Cb 0.62 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.43 2obu h SER 11 CO 0.03 0.59 0.14 0.40 -0.53 0.00 0.00 176.83 177.45 2obu h ILE 12 N 0.18 0.87 -0.48 2.23 2.04 -0.54 -1.15 117.51 120.67 2obu h ILE 12 Ca 0.07 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.90 2obu h ILE 12 Cb 0.38 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 2obu h ILE 12 CO 0.01 0.05 0.12 0.00 0.00 0.00 0.00 178.15 178.33 2obu h ALA 13 N 1.27 0.55 0.02 1.87 0.00 0.10 0.48 119.26 123.55 2obu h ALA 13 Ca 0.19 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2obu h ALA 13 Cb 0.18 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2obu h ALA 13 CO -0.19 -0.28 -0.18 1.98 0.00 0.00 0.00 179.25 180.57 2obu h MET 14 N 0.26 -0.29 -0.80 0.00 1.85 -0.24 0.80 114.93 116.51 2obu h MET 14 Ca 0.24 0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.41 2obu h MET 14 Cb 0.29 0.07 -0.06 0.00 0.43 0.00 0.00 31.60 32.33 2obu h MET 14 CO -0.29 -0.20 0.48 0.22 -0.40 0.00 0.00 176.91 176.73 2obu h ASP 15 N -0.31 0.74 1.18 1.39 3.58 -0.06 -2.17 116.42 120.77 2obu h ASP 15 Ca 0.05 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.40 2obu h ASP 15 Cb 0.37 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 2obu h ASP 15 CO -0.16 0.46 -0.58 0.50 -2.88 0.00 0.00 179.24 176.59 2obu h LYS 16 N 0.87 0.00 0.28 0.28 3.11 0.63 -2.91 116.57 118.83 2obu h LYS 16 Ca 0.36 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.18 2obu h LYS 16 Cb 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 2obu h LYS 16 CO -0.19 0.58 -0.13 0.82 -2.81 0.00 0.00 179.45 177.72 2obu h ILE 17 N 0.00 0.70 -0.93 2.00 2.04 0.12 0.37 117.51 121.81 2obu h ILE 17 Ca -0.01 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.15 2obu h ILE 17 Cb 1.33 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 2obu h ILE 17 CO 0.08 0.14 0.61 1.12 0.00 0.00 0.00 178.15 180.09 2obu h HIS 18 N -0.80 1.14 -0.20 1.37 2.07 -1.58 0.34 115.15 117.49 2obu h HIS 18 Ca -0.04 0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.49 2obu h HIS 18 Cb 0.51 -0.38 -0.01 0.00 2.57 0.00 0.00 27.41 30.10 2obu h HIS 18 CO 0.04 0.67 0.07 0.37 -3.07 0.00 0.00 177.93 176.00 2obu h GLN 19 N 1.19 0.31 -0.10 5.12 5.75 -1.43 0.02 115.11 125.96 2obu h GLN 19 Ca 0.37 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.79 2obu h GLN 19 Cb -0.01 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.49 2obu h GLN 19 CO -0.12 0.41 0.03 0.37 -2.65 0.00 0.00 178.83 176.87 2obu h GLN 20 N 0.16 0.16 -0.91 1.69 4.15 0.34 0.12 115.11 120.83 2obu h GLN 20 Ca 0.07 -0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.59 2obu h GLN 20 Cb 0.22 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 27.79 2obu h GLN 20 CO -0.00 0.33 0.52 -0.44 -1.93 0.00 0.00 178.83 177.31 2obu h ASP 21 N -0.03 0.68 -0.44 -0.69 3.32 -0.24 0.65 116.42 119.68 2obu h ASP 21 Ca 0.03 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 2obu h ASP 21 Cb 0.24 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2obu h ASP 21 CO -0.00 0.31 -0.14 0.15 -1.72 0.00 0.00 179.24 177.84 2obu h PHE 22 N 0.75 0.99 0.71 4.55 3.57 -0.33 0.20 116.94 127.38 2obu h PHE 22 Ca 0.49 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 2obu h PHE 22 Cb 0.64 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 39.15 2obu h PHE 22 CO -0.05 0.99 -0.34 0.28 -2.23 0.00 0.00 178.31 176.96 2obu h VAL 23 N 0.70 0.14 -1.04 1.41 2.07 0.88 -0.09 116.25 120.33 2obu h VAL 23 Ca 0.11 -0.24 0.30 0.00 0.82 0.00 0.00 66.70 67.69 2obu h VAL 23 Cb 0.69 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 30.50 2obu h VAL 23 CO 0.05 0.01 0.62 0.78 0.02 0.00 0.00 177.57 179.05 2obu h ASN 24 N -1.17 0.52 -0.32 0.57 4.21 0.25 0.42 115.58 120.07 2obu h ASN 24 Ca -0.10 0.16 -0.04 0.00 1.21 0.00 0.00 56.30 57.53 2obu h ASN 24 Cb 0.76 0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.04 2obu h ASN 24 CO 0.16 -0.04 0.05 -0.25 -1.29 0.00 0.00 177.43 176.06 2obu h TRP 25 N 0.38 0.56 -0.11 1.19 7.01 -0.24 0.39 115.95 125.13 2obu h TRP 25 Ca 0.70 -0.08 0.01 0.00 2.11 0.00 0.00 58.89 61.63 2obu h TRP 25 Cb 1.62 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 28.51 2obu h TRP 25 CO -0.01 0.61 0.04 -0.07 -2.79 0.00 0.00 178.44 176.21 2obu h LEU 26 N 0.36 0.04 -0.84 0.65 3.38 0.16 -0.95 115.31 118.10 2obu h LEU 26 Ca 0.10 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2obu h LEU 26 Cb 0.35 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 2obu h LEU 26 CO 0.01 0.04 0.52 -0.07 0.09 0.00 0.00 178.44 179.03 2obu h LEU 27 N 0.09 0.83 -0.85 1.67 3.38 -0.16 0.91 115.31 121.18 2obu h LEU 27 Ca 0.05 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2obu h LEU 27 Cb 0.03 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 2obu h LEU 27 CO -0.05 0.54 0.53 0.00 0.09 0.00 0.00 178.44 179.54 2obu h ALA 28 N 1.39 1.15 -0.26 1.53 0.00 0.26 0.14 119.26 123.48 2obu h ALA 28 Ca 0.36 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.55 2obu h ALA 28 Cb 0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2obu h ALA 28 CO -0.16 0.29 3.14 1.04 0.00 0.00 0.00 179.25 183.56 2obu n GLN 29 N -4.62 3.69 0.00 0.00 6.02 0.31 -3.32 117.38 119.47 2obu n GLN 29 Ca 0.12 -2.74 0.00 0.00 -0.01 0.00 0.00 57.00 54.37 2obu n GLN 29 Cb 0.16 -2.90 0.00 0.00 1.02 0.00 0.00 30.24 28.52 2obu n GLN 29 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2obu n LYS 30 N 3.81 0.00 -0.30 -1.09 2.85 -0.92 -4.82 118.16 117.68 2obu n LYS 30 Ca 0.64 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.90 2obu n LYS 30 Cb 0.29 0.00 0.18 0.00 -0.65 0.00 0.00 35.03 34.85 2obu n LYS 30 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2obu h GLY 31 N 0.00 1.26 0.00 2.58 0.00 -0.85 -2.15 103.07 103.92 2obu h GLY 31 Ca 0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 47.33 46.60 2obu h GLY 31 CO 0.00 0.44 -1.84 0.28 0.00 0.00 0.00 176.54 175.42 2obu n LYS 32 N -4.41 0.41 -0.26 4.80 4.01 -1.21 -4.44 118.16 117.07 2obu n LYS 32 Ca 0.11 0.18 0.05 0.00 -0.51 0.00 0.00 58.31 58.14 2obu n LYS 32 Cb 0.04 -1.20 0.18 0.00 -0.51 0.00 0.00 35.03 33.55 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 -0.72 0.44 -0.20 1.97 3.11 -1.69 -0.51 116.57 118.97 2obu h LYS 33 Ca -0.41 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.40 2obu h LYS 33 Cb 1.30 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 2obu h LYS 33 CO -0.25 0.29 0.09 -0.97 -2.81 0.00 0.00 179.45 175.80 2obu h ASN 34 N 0.45 0.25 -0.96 4.20 -1.24 -1.64 -0.51 115.58 116.13 2obu h ASN 34 Ca 0.41 -0.02 0.28 0.00 0.71 0.00 0.00 56.30 57.68 2obu h ASN 34 Cb 0.61 -0.06 -0.18 0.00 0.73 0.00 0.00 38.32 39.42 2obu h ASN 34 CO -0.39 0.23 0.07 -0.67 -1.29 0.00 0.00 177.43 175.37 2obu n ASP 35 N -4.45 -0.07 -0.12 1.15 2.03 -0.20 -1.98 116.55 112.91 2obu n ASP 35 Ca 0.00 1.63 -0.26 0.00 0.52 0.00 0.00 54.79 56.68 2obu n ASP 35 Cb 0.12 -0.61 -0.11 0.00 -0.72 0.00 0.00 41.12 39.79 2obu n ASP 35 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 2obu n TRP 36 N -5.40 0.45 -2.98 -0.67 2.14 -0.92 -5.08 117.44 104.98 2obu n TRP 36 Ca 0.24 0.19 -0.11 0.00 2.07 0.00 0.00 57.50 59.89 2obu n TRP 36 Cb 0.79 -1.05 0.01 0.00 -0.81 0.00 0.00 31.31 30.26 2obu n TRP 36 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 2obu n LYS 37 N -4.26 -2.37 0.04 -2.67 3.00 -0.25 -4.96 118.16 106.69 2obu n LYS 37 Ca -0.45 2.03 0.00 0.00 -0.00 0.00 0.00 58.31 59.89 2obu n LYS 37 Cb 0.81 -4.43 0.00 0.00 0.00 0.00 0.00 35.03 31.42 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 0.15 -2.39 -0.35 5.64 -0.00 -1.26 -4.91 115.22 112.11 2obu n HIS 38 Ca 0.04 0.27 0.31 0.00 0.46 0.00 0.00 57.72 58.80 2obu n HIS 38 Cb 0.39 1.00 0.57 0.00 -0.12 0.00 0.00 29.99 31.83 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 0.36 0.00 0.26 -1.24 -1.95 -3.42 115.58 109.58 2obu h ASN 39 Ca 0.00 0.22 -0.08 0.00 0.71 0.00 0.00 56.30 57.15 2obu h ASN 39 Cb 0.00 0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 2obu h ASN 39 CO 0.00 -0.32 0.22 0.00 -1.29 0.00 0.00 177.43 176.05 2obu n ILE 40 N -5.11 0.00 -0.04 2.57 0.00 -1.26 -4.79 119.36 110.72 2obu n ILE 40 Ca 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 62.75 62.99 2obu n ILE 40 Cb 1.24 -0.07 -0.07 0.00 0.00 0.00 0.00 39.64 40.74 2obu n ILE 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2obu h THR 41 N 1.07 1.28 0.00 9.51 1.03 -2.05 -3.54 112.91 120.21 2obu h THR 41 Ca -0.01 -0.91 0.00 0.00 -0.01 0.00 0.00 66.41 65.49 2obu h THR 41 Cb 0.19 1.64 0.00 0.00 -1.07 0.00 0.00 68.15 68.91 2obu h THR 41 CO 0.18 0.26 0.00 1.67 -0.01 0.00 0.00 175.52 177.62