#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 1.24 0.45 0.46 0.00 -1.26 -4.97 107.32 103.24 2ajj s GLY 2 Ca 0.00 -2.48 -0.03 0.00 0.00 0.00 0.00 44.72 42.21 2ajj s GLY 2 CO 0.00 2.86 0.72 -1.31 0.00 0.00 0.00 173.10 175.36 2ajj s ASN 3 N 5.04 6.25 0.22 1.64 0.01 -1.26 -4.99 114.94 121.85 2ajj s ASN 3 Ca 0.54 0.77 -0.08 0.00 -0.71 0.00 0.00 52.86 53.38 2ajj s ASN 3 Cb 0.01 -2.16 0.19 0.00 0.41 0.00 0.00 41.25 39.71 2ajj s ASN 3 CO 0.01 -0.51 1.86 0.22 -1.51 0.00 0.00 177.10 177.17 2ajj h TYR 4 N 0.37 1.14 -0.78 2.20 3.20 -2.00 -2.34 116.97 118.75 2ajj h TYR 4 Ca -0.48 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.38 2ajj h TYR 4 Cb 1.21 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 2ajj h TYR 4 CO 0.56 0.77 0.47 -0.39 -1.64 0.00 0.00 178.16 177.93 2ajj h VAL 5 N 1.18 1.22 -0.68 1.81 -1.51 -1.98 -0.48 116.25 115.81 2ajj h VAL 5 Ca 0.31 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2ajj h VAL 5 Cb -0.03 0.11 -0.03 0.00 -2.13 0.00 0.00 31.29 29.21 2ajj h VAL 5 CO -0.06 0.23 0.43 -0.07 -1.23 0.00 0.00 177.57 176.87 2ajj h LEU 6 N 1.08 0.81 -0.69 4.19 4.07 -1.80 0.48 115.31 123.44 2ajj h LEU 6 Ca 0.28 -0.05 -0.10 0.00 0.08 0.00 0.00 57.88 58.09 2ajj h LEU 6 Cb -0.05 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 2ajj h LEU 6 CO -0.05 0.61 -0.12 -0.78 -1.08 0.00 0.00 178.44 177.02 2ajj h ASP 7 N 0.93 0.89 0.51 -0.43 1.82 -1.20 -2.80 116.42 116.14 2ajj h ASP 7 Ca 0.25 -0.28 -0.11 0.00 -0.39 0.00 0.00 57.03 56.49 2ajj h ASP 7 Cb -0.06 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.69 2ajj h ASP 7 CO -0.05 1.02 -0.53 -0.07 -1.61 0.00 0.00 179.24 178.00 2ajj h LEU 8 N 0.80 0.03 -1.96 2.28 4.07 -0.25 -2.93 115.31 117.35 2ajj h LEU 8 Ca 0.13 -0.01 0.25 0.00 0.08 0.00 0.00 57.88 58.33 2ajj h LEU 8 Cb 0.64 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.34 2ajj h LEU 8 CO 0.04 0.55 0.67 0.40 -1.08 0.00 0.00 178.44 179.03 2ajj h ILE 9 N 0.02 0.47 -0.84 1.22 1.08 0.21 0.30 117.51 119.96 2ajj h ILE 9 Ca -0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 2ajj h ILE 9 Cb 0.94 0.52 -0.07 0.00 -3.07 0.00 0.00 36.82 35.14 2ajj h ILE 9 CO 0.07 0.00 0.50 0.10 -0.69 0.00 0.00 178.15 178.13 2ajj h TYR 10 N 0.00 0.91 0.00 1.37 -0.00 -1.62 0.88 116.97 118.50 2ajj h TYR 10 Ca 0.41 0.03 -0.17 0.00 0.00 0.00 0.00 58.73 59.00 2ajj h TYR 10 Cb 1.75 -0.28 -0.02 0.00 0.00 0.00 0.00 36.73 38.18 2ajj h TYR 10 CO 0.00 0.40 -0.82 1.03 -0.00 0.00 0.00 178.16 178.78 2ajj h SER 11 N 0.86 0.02 0.54 0.10 0.87 -0.63 -2.40 113.55 112.90 2ajj h SER 11 Ca 0.39 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.77 2ajj h SER 11 Cb 0.30 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2ajj h SER 11 CO -0.22 0.83 -0.71 -0.07 -0.53 0.00 0.00 176.83 176.13 2ajj h LEU 12 N 0.01 0.17 0.00 2.23 3.38 -0.61 -2.99 115.31 117.50 2ajj h LEU 12 Ca -0.01 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2ajj h LEU 12 Cb 1.44 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.15 2ajj h LEU 12 CO 0.11 0.82 -0.48 -0.74 0.09 0.00 0.00 178.44 178.24 2ajj h HIS 13 N 0.10 0.49 0.00 1.13 2.76 0.76 -2.92 115.15 117.46 2ajj h HIS 13 Ca -0.02 -0.26 -0.00 0.00 -2.20 0.00 0.00 60.37 57.88 2ajj h HIS 13 Cb 1.25 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.16 2ajj h HIS 13 CO 0.02 1.08 -0.02 1.57 -1.30 0.00 0.00 177.93 179.27 2ajj h LYS 14 N -0.25 0.00 -0.00 5.26 5.09 -1.49 0.42 116.57 125.61 2ajj h LYS 14 Ca -0.06 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.49 2ajj h LYS 14 Cb 1.21 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.53 2ajj h LYS 14 CO 0.10 0.02 -0.84 0.37 -2.09 0.00 0.00 179.45 177.00 2ajj h GLN 15 N 0.00 0.16 0.00 0.07 4.15 -1.49 -1.55 115.11 116.45 2ajj h GLN 15 Ca -0.00 -0.17 -0.18 0.00 0.77 0.00 0.00 58.65 59.07 2ajj h GLN 15 Cb 0.07 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 2ajj h GLN 15 CO 0.00 0.91 -1.06 0.82 -1.93 0.00 0.00 178.83 177.57 2ajj h ILE 16 N 0.09 1.03 0.06 2.39 2.04 -0.76 -3.33 117.51 119.03 2ajj h ILE 16 Ca -0.03 -2.61 -0.17 0.00 1.00 0.00 0.00 64.86 63.05 2ajj h ILE 16 Cb 1.46 2.46 0.02 0.00 -0.74 0.00 0.00 36.82 40.02 2ajj h ILE 16 CO 0.12 0.59 -0.68 0.78 0.00 0.00 0.00 178.15 178.96 2ajj h ASN 17 N 0.00 0.49 -0.85 1.72 4.21 -0.23 -1.02 115.58 119.91 2ajj h ASN 17 Ca -0.09 -0.85 0.14 0.00 1.21 0.00 0.00 56.30 56.72 2ajj h ASN 17 Cb 1.65 -0.16 -0.06 0.00 -1.12 0.00 0.00 38.32 38.63 2ajj h ASN 17 CO 0.08 1.29 0.55 0.08 -1.29 0.00 0.00 177.43 178.14 2ajj h ARG 18 N -0.23 0.60 0.20 0.81 0.11 -1.42 0.47 114.38 114.92 2ajj h ARG 18 Ca -0.10 -0.04 -0.33 0.00 0.10 0.00 0.00 59.98 59.61 2ajj h ARG 18 Cb 1.45 -0.13 0.02 0.00 1.11 0.00 0.00 29.97 32.41 2ajj h ARG 18 CO 0.13 0.40 -1.56 0.78 0.10 0.00 0.00 179.97 179.82 2ajj h GLY 19 N 0.62 0.48 0.97 0.08 0.00 -1.67 -3.21 103.07 100.35 2ajj h GLY 19 Ca 0.42 -1.24 0.01 0.00 0.00 0.00 0.00 47.33 46.53 2ajj h GLY 19 CO -0.18 1.08 0.51 -2.00 0.00 0.00 0.00 176.54 175.95 2ajj h LEU 20 N 0.04 0.87 0.37 3.11 5.85 -0.18 -2.45 115.31 122.91 2ajj h LEU 20 Ca -0.30 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 2ajj h LEU 20 Cb 2.05 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.87 2ajj h LEU 20 CO 0.20 0.62 -0.19 0.11 -0.34 0.00 0.00 178.44 178.83 2ajj h LYS 21 N 1.02 -0.50 -0.97 1.25 1.57 -0.21 -1.66 116.57 117.08 2ajj h LYS 21 Ca 0.29 0.03 0.21 0.00 -1.87 0.00 0.00 60.65 59.32 2ajj h LYS 21 Cb -0.08 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.25 2ajj h LYS 21 CO -0.08 -0.33 0.62 -0.22 -0.57 0.00 0.00 179.45 178.87 2ajj h LYS 22 N -0.52 0.52 -0.20 3.15 3.11 -1.50 0.34 116.57 121.46 2ajj h LYS 22 Ca -0.05 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.69 2ajj h LYS 22 Cb 0.41 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.52 2ajj h LYS 22 CO 0.07 0.34 -0.16 0.82 -2.81 0.00 0.00 179.45 177.70 2ajj h ILE 23 N 0.53 1.32 -0.19 2.00 2.04 -0.96 -0.38 117.51 121.87 2ajj h ILE 23 Ca 0.53 -1.30 -0.10 0.00 1.00 0.00 0.00 64.86 64.99 2ajj h ILE 23 Cb 1.14 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 2ajj h ILE 23 CO -0.27 0.39 -0.33 0.58 0.00 0.00 0.00 178.15 178.53 2ajj h VAL 24 N 0.15 1.28 -0.17 1.67 2.07 -0.17 -0.18 116.25 120.90 2ajj h VAL 24 Ca 0.04 -1.38 -0.18 0.00 0.82 0.00 0.00 66.70 65.99 2ajj h VAL 24 Cb 0.69 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2ajj h VAL 24 CO 0.04 0.43 -0.63 -0.07 0.02 0.00 0.00 177.57 177.36 2ajj h LEU 25 N 0.34 0.70 -0.22 2.57 3.38 -0.32 -3.19 115.31 118.57 2ajj h LEU 25 Ca 0.04 -0.41 -0.20 0.00 0.09 0.00 0.00 57.88 57.40 2ajj h LEU 25 Cb 0.74 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2ajj h LEU 25 CO 0.06 1.15 -0.92 1.23 0.09 0.00 0.00 178.44 180.05 2ajj h GLY 26 N 0.97 0.16 -2.03 0.83 0.00 -0.86 -3.46 103.07 98.68 2ajj h GLY 26 Ca -0.01 -0.31 -0.45 0.00 0.00 0.00 0.00 47.33 46.56 2ajj h GLY 26 CO 0.12 0.27 -0.13 0.86 0.00 0.00 0.00 176.54 177.67 2ajj s TRP 27 N -3.08 2.30 0.00 5.60 -0.00 -0.10 -5.09 118.94 118.58 2ajj s TRP 27 Ca -0.02 -0.39 0.00 0.00 -0.00 0.00 0.00 56.10 55.69 2ajj s TRP 27 Cb 0.10 -2.48 0.00 0.00 -0.00 0.00 0.00 33.47 31.09 2ajj s TRP 27 CO 0.83 -0.86 0.00 0.00 -0.00 0.00 0.00 176.95 176.92