#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ajj s GLY 2 N 0.00 2.52 0.36 0.23 0.00 -1.26 -5.07 107.32 104.10 2ajj s GLY 2 Ca 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 44.72 41.22 2ajj s GLY 2 CO 0.00 1.28 0.50 -1.31 0.00 0.00 0.00 173.10 173.58 2ajj s ASN 3 N -0.99 1.00 0.18 1.64 0.01 -1.26 -5.09 114.94 110.43 2ajj s ASN 3 Ca 0.25 -1.52 0.00 0.00 -0.71 0.00 0.00 52.86 50.88 2ajj s ASN 3 Cb -0.06 0.69 0.00 0.00 0.41 0.00 0.00 41.25 42.29 2ajj s ASN 3 CO -0.15 -1.35 0.00 0.00 -1.51 0.00 0.00 177.10 174.09 2ajj n TYR 4 N -0.59 -3.11 -0.25 2.20 9.36 -1.26 -4.93 117.16 118.59 2ajj n TYR 4 Ca 0.01 0.62 -0.07 0.00 3.32 0.00 0.00 57.90 61.78 2ajj n TYR 4 Cb 0.61 1.80 0.04 0.00 -0.63 0.00 0.00 39.34 41.17 2ajj n TYR 4 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 2ajj h VAL 5 N 0.00 1.25 -0.96 2.97 -1.51 -1.98 -1.15 116.25 114.86 2ajj h VAL 5 Ca 0.00 -0.82 0.05 0.00 -1.23 0.00 0.00 66.70 64.70 2ajj h VAL 5 Cb 0.00 0.50 -0.06 0.00 -2.13 0.00 0.00 31.29 29.60 2ajj h VAL 5 CO 0.00 0.32 0.62 -0.07 -1.23 0.00 0.00 177.57 177.21 2ajj h LEU 6 N 0.99 1.01 -0.85 4.19 3.38 -2.00 0.41 115.31 122.45 2ajj h LEU 6 Ca 0.22 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 2ajj h LEU 6 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2ajj h LEU 6 CO -0.01 0.67 -0.30 0.44 0.09 0.00 0.00 178.44 179.33 2ajj h ASP 7 N 1.16 0.52 0.78 -0.43 5.19 -1.81 -2.84 116.42 119.00 2ajj h ASP 7 Ca 0.40 -0.19 -0.15 0.00 -0.62 0.00 0.00 57.03 56.47 2ajj h ASP 7 Cb 0.09 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 2ajj h ASP 7 CO -0.15 0.80 -0.69 -0.07 -3.12 0.00 0.00 179.24 176.00 2ajj h LEU 8 N 0.44 0.00 -1.94 1.55 4.07 0.17 -3.12 115.31 116.49 2ajj h LEU 8 Ca 0.06 0.00 0.23 0.00 0.08 0.00 0.00 57.88 58.24 2ajj h LEU 8 Cb 0.74 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.45 2ajj h LEU 8 CO 0.06 0.69 0.63 0.40 -1.08 0.00 0.00 178.44 179.15 2ajj h ILE 9 N 0.00 0.46 -0.89 1.22 2.04 0.00 0.19 117.51 120.53 2ajj h ILE 9 Ca -0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.96 2ajj h ILE 9 Cb 1.27 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 2ajj h ILE 9 CO 0.09 0.00 0.52 0.10 0.00 0.00 0.00 178.15 178.86 2ajj h TYR 10 N 0.00 0.95 -0.14 1.37 -0.00 -1.66 0.36 116.97 117.85 2ajj h TYR 10 Ca 0.37 0.03 -0.21 0.00 0.00 0.00 0.00 58.73 58.92 2ajj h TYR 10 Cb 1.63 -0.29 0.01 0.00 0.00 0.00 0.00 36.73 38.08 2ajj h TYR 10 CO 0.00 0.37 -0.75 1.03 -0.00 0.00 0.00 178.16 178.81 2ajj h SER 11 N 0.85 0.90 -0.76 0.10 0.87 -0.86 -3.03 113.55 111.62 2ajj h SER 11 Ca 0.43 -0.64 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2ajj h SER 11 Cb 0.42 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 2ajj h SER 11 CO -0.26 1.39 0.48 0.25 -0.53 0.00 0.00 176.83 178.17 2ajj h LEU 12 N 0.47 0.90 -1.44 2.23 7.12 -1.06 -1.41 115.31 122.13 2ajj h LEU 12 Ca -0.05 -0.04 -0.03 0.00 0.13 0.00 0.00 57.88 57.89 2ajj h LEU 12 Cb 1.39 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 2ajj h LEU 12 CO 0.16 0.67 0.03 -0.74 -0.13 0.00 0.00 178.44 178.43 2ajj h HIS 13 N 1.05 0.40 -0.48 1.25 2.76 -0.25 -1.59 115.15 118.28 2ajj h HIS 13 Ca 0.28 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.44 2ajj h HIS 13 Cb -0.08 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 2ajj h HIS 13 CO 0.00 0.39 0.32 0.87 -1.30 0.00 0.00 177.93 178.21 2ajj h LYS 14 N 0.39 0.57 -0.19 5.26 1.79 -1.13 0.81 116.57 124.07 2ajj h LYS 14 Ca 0.09 -0.03 -0.18 0.00 -2.18 0.00 0.00 60.65 58.35 2ajj h LYS 14 Cb 0.22 -0.13 0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2ajj h LYS 14 CO 0.00 0.38 -0.59 0.37 -1.08 0.00 0.00 179.45 178.54 2ajj h GLN 15 N 0.59 0.73 -0.34 3.15 4.15 -1.28 -1.84 115.11 120.26 2ajj h GLN 15 Ca 0.19 -0.53 -0.11 0.00 0.77 0.00 0.00 58.65 58.96 2ajj h GLN 15 Cb 0.02 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2ajj h GLN 15 CO -0.04 1.15 -0.24 0.82 -1.93 0.00 0.00 178.83 178.58 2ajj h ILE 16 N 0.44 1.27 -0.55 2.39 1.08 -0.76 -2.89 117.51 118.49 2ajj h ILE 16 Ca -0.02 -1.33 -0.07 0.00 -0.39 0.00 0.00 64.86 63.05 2ajj h ILE 16 Cb 1.21 1.27 -0.02 0.00 -3.07 0.00 0.00 36.82 36.21 2ajj h ILE 16 CO 0.12 0.44 0.09 -1.13 -0.69 0.00 0.00 178.15 176.98 2ajj h ASN 17 N 0.59 0.87 -0.48 1.72 -1.24 0.66 0.85 115.58 118.56 2ajj h ASN 17 Ca 0.08 -0.26 0.03 0.00 0.71 0.00 0.00 56.30 56.86 2ajj h ASN 17 Cb 0.73 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 39.51 2ajj h ASN 17 CO 0.06 0.91 0.27 -0.09 -1.29 0.00 0.00 177.43 177.29 2ajj h ARG 18 N 0.80 0.52 0.00 6.67 9.65 -1.15 0.61 114.38 131.47 2ajj h ARG 18 Ca 0.17 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.89 2ajj h ARG 18 Cb 0.41 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 2ajj h ARG 18 CO 0.01 0.34 -0.59 0.78 2.80 0.00 0.00 179.97 183.32 2ajj h GLY 19 N 0.54 0.00 0.97 2.80 0.00 -1.35 -2.15 103.07 103.87 2ajj h GLY 19 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.31 2ajj h GLY 19 CO -0.11 0.00 -0.86 -2.00 0.00 0.00 0.00 176.54 173.57 2ajj h LEU 20 N 0.00 0.69 -0.49 3.11 5.85 0.04 -3.09 115.31 121.43 2ajj h LEU 20 Ca -0.01 -0.79 -0.08 0.00 0.84 0.00 0.00 57.88 57.84 2ajj h LEU 20 Cb 1.15 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2ajj h LEU 20 CO 0.08 1.40 -0.40 0.07 -0.34 0.00 0.00 178.44 179.24 2ajj h LYS 21 N 0.07 0.00 0.00 1.25 5.09 0.17 -2.95 116.57 120.20 2ajj h LYS 21 Ca -0.12 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.58 2ajj h LYS 21 Cb 1.57 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.89 2ajj h LYS 21 CO 0.17 0.40 -0.18 1.57 -2.09 0.00 0.00 179.45 179.32 2ajj h LYS 22 N 0.00 0.00 0.16 0.07 5.09 -1.46 -1.60 116.57 118.83 2ajj h LYS 22 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.48 2ajj h LYS 22 Cb 1.12 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.46 2ajj h LYS 22 CO 0.05 0.18 -1.22 0.82 -2.09 0.00 0.00 179.45 177.20 2ajj h ILE 23 N 0.00 1.26 -0.21 0.07 1.08 -1.49 -1.49 117.51 116.73 2ajj h ILE 23 Ca -0.00 -2.53 -0.14 0.00 -0.39 0.00 0.00 64.86 61.80 2ajj h ILE 23 Cb 1.11 2.98 -0.01 0.00 -3.07 0.00 0.00 36.82 37.83 2ajj h ILE 23 CO 0.02 0.74 -0.45 0.58 -0.69 0.00 0.00 178.15 178.36 2ajj h VAL 24 N -0.20 1.31 -0.10 1.67 2.07 -1.58 0.68 116.25 120.10 2ajj h VAL 24 Ca -0.23 -1.64 -0.21 0.00 0.82 0.00 0.00 66.70 65.43 2ajj h VAL 24 Cb 1.83 1.64 0.01 0.00 -1.52 0.00 0.00 31.29 33.24 2ajj h VAL 24 CO 0.15 0.51 -0.80 0.25 0.02 0.00 0.00 177.57 177.70 2ajj h LEU 25 N 0.42 0.74 -0.05 2.57 5.85 -1.39 -3.31 115.31 120.15 2ajj h LEU 25 Ca 0.03 -0.51 -0.07 0.00 0.84 0.00 0.00 57.88 58.17 2ajj h LEU 25 Cb 0.96 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2ajj h LEU 25 CO 0.08 1.29 -0.24 1.23 -0.34 0.00 0.00 178.44 180.46 2ajj h GLY 26 N 0.86 0.28 -5.43 3.75 0.00 -1.15 -3.45 103.07 97.94 2ajj h GLY 26 Ca -0.05 -0.39 -0.54 0.00 0.00 0.00 0.00 47.33 46.35 2ajj h GLY 26 CO 0.15 0.35 -0.83 -0.98 0.00 0.00 0.00 176.54 175.24 2ajj s TRP 27 N -3.62 1.57 0.00 5.60 0.52 0.22 -5.07 118.94 118.15 2ajj s TRP 27 Ca -0.15 -0.47 0.00 0.00 0.02 0.00 0.00 56.10 55.50 2ajj s TRP 27 Cb 0.03 -1.08 0.00 0.00 -1.15 0.00 0.00 33.47 31.27 2ajj s TRP 27 CO 0.75 -0.18 0.29 0.00 0.02 0.00 0.00 176.95 177.83