#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ij3 h MET 2 N 0.00 0.78 -0.80 2.89 1.85 -2.05 -2.91 114.93 114.69 1ij3 h MET 2 Ca 0.00 -0.30 0.12 0.00 -0.61 0.00 0.00 59.70 58.91 1ij3 h MET 2 Cb 0.00 -0.04 -0.08 0.00 0.43 0.00 0.00 31.60 31.90 1ij3 h MET 2 CO 0.00 0.92 0.41 -0.22 -0.40 0.00 0.00 176.91 177.61 1ij3 h LYS 3 N 0.68 0.61 -0.37 0.39 1.63 -2.06 0.18 116.57 117.64 1ij3 h LYS 3 Ca 0.10 -0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.93 1ij3 h LYS 3 Cb 0.71 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 32.14 1ij3 h LYS 3 CO 0.05 0.40 -0.01 0.37 -3.45 0.00 0.00 179.45 176.82 1ij3 h GLN 4 N 0.63 0.08 -0.22 1.90 4.15 -1.96 -0.69 115.11 119.00 1ij3 h GLN 4 Ca 0.42 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.69 1ij3 h GLN 4 Cb 0.52 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1ij3 h GLN 4 CO -0.32 0.06 -0.45 -0.07 -1.93 0.00 0.00 178.83 176.11 1ij3 h LEU 5 N 0.09 0.61 -0.86 -2.39 3.38 -1.26 -2.72 115.31 112.15 1ij3 h LEU 5 Ca 0.18 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1ij3 h LEU 5 Cb 0.26 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1ij3 h LEU 5 CO -0.31 0.97 0.34 -0.33 0.09 0.00 0.00 178.44 179.20 1ij3 h GLU 6 N 0.45 1.17 -0.58 1.13 5.08 -0.29 -0.52 114.58 121.02 1ij3 h GLU 6 Ca 0.03 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1ij3 h GLU 6 Cb 0.97 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1ij3 h GLU 6 CO 0.09 0.93 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.57 1ij3 h ASP 7 N 1.14 1.02 -0.65 1.42 3.32 -1.04 -0.84 116.42 120.80 1ij3 h ASP 7 Ca 0.27 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1ij3 h ASP 7 Cb 0.18 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1ij3 h ASP 7 CO -0.03 1.09 0.07 0.11 -1.72 0.00 0.00 179.24 178.76 1ij3 h LYS 8 N 0.93 1.11 -0.32 3.56 1.57 -1.17 -1.53 116.57 120.72 1ij3 h LYS 8 Ca 0.16 -0.32 -0.13 0.00 -1.87 0.00 0.00 60.65 58.50 1ij3 h LYS 8 Cb 0.57 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1ij3 h LYS 8 CO 0.03 1.03 -0.33 0.28 -0.57 0.00 0.00 179.45 179.90 1ij3 h VAL 9 N 1.03 1.28 -0.57 0.50 2.07 -0.88 -0.97 116.25 118.71 1ij3 h VAL 9 Ca 0.19 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1ij3 h VAL 9 Cb 0.49 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1ij3 h VAL 9 CO 0.02 0.48 0.29 -0.33 0.02 0.00 0.00 177.57 178.05 1ij3 h GLU 10 N 0.58 0.81 -0.65 1.57 5.08 -0.91 -0.79 114.58 120.27 1ij3 h GLU 10 Ca 0.06 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ij3 h GLU 10 Cb 0.84 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1ij3 h GLU 10 CO 0.07 0.64 0.33 1.49 -1.00 0.00 0.00 179.01 180.55 1ij3 h GLU 11 N 0.77 0.92 -0.36 2.33 4.57 -1.08 -2.19 114.58 119.54 1ij3 h GLU 11 Ca 0.20 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1ij3 h GLU 11 Cb 0.09 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1ij3 h GLU 11 CO -0.03 0.71 0.03 -0.07 -1.18 0.00 0.00 179.01 178.48 1ij3 h LEU 12 N 0.89 0.50 -0.41 1.64 3.38 -0.59 0.02 115.31 120.74 1ij3 h LEU 12 Ca 0.22 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 1ij3 h LEU 12 Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ij3 h LEU 12 CO -0.03 0.55 -0.43 -0.07 0.09 0.00 0.00 178.44 178.55 1ij3 h LEU 13 N 0.52 0.94 -0.44 1.67 3.38 -0.93 -1.18 115.31 119.28 1ij3 h LEU 13 Ca 0.12 -0.45 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 1ij3 h LEU 13 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ij3 h LEU 13 CO 0.01 1.23 -0.13 0.28 0.09 0.00 0.00 178.44 179.92 1ij3 h SER 14 N 0.70 0.88 -0.86 -0.43 0.02 -0.92 -1.77 113.55 111.16 1ij3 h SER 14 Ca 0.05 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1ij3 h SER 14 Cb 1.02 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 1ij3 h SER 14 CO 0.10 1.05 0.52 0.11 -1.14 0.00 0.00 176.83 177.47 1ij3 h LYS 15 N 0.70 1.17 -0.39 3.45 1.57 -0.93 -1.66 116.57 120.48 1ij3 h LYS 15 Ca 0.11 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1ij3 h LYS 15 Cb 0.67 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1ij3 h LYS 15 CO 0.05 0.82 -0.03 1.03 -0.57 0.00 0.00 179.45 180.74 1ij3 h SER 16 N 1.19 0.71 -0.05 0.86 0.87 -0.99 -0.58 113.55 115.56 1ij3 h SER 16 Ca 0.31 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1ij3 h SER 16 Cb -0.05 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1ij3 h SER 16 CO -0.06 0.87 -0.00 0.22 -0.53 0.00 0.00 176.83 177.33 1ij3 h TYR 17 N 0.54 -0.00 -0.71 2.24 3.20 -1.05 -0.87 116.97 120.31 1ij3 h TYR 17 Ca 0.11 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1ij3 h TYR 17 Cb 0.53 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 1ij3 h TYR 17 CO 0.04 -0.01 0.46 1.25 -1.64 0.00 0.00 178.16 178.27 1ij3 h HIS 18 N 0.02 0.88 -0.72 -3.82 2.76 -1.15 -2.58 115.15 110.53 1ij3 h HIS 18 Ca 0.02 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1ij3 h HIS 18 Cb 0.03 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.66 1ij3 h HIS 18 CO -0.11 0.54 0.29 -0.07 -1.30 0.00 0.00 177.93 177.29 1ij3 h LEU 19 N 0.94 0.99 -0.66 0.26 3.38 -0.86 -1.47 115.31 117.89 1ij3 h LEU 19 Ca 0.27 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1ij3 h LEU 19 Cb -0.08 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 1ij3 h LEU 19 CO -0.07 0.89 0.40 -0.33 0.09 0.00 0.00 178.44 179.42 1ij3 h GLU 20 N 1.03 0.77 -0.31 1.13 5.08 -0.94 0.37 114.58 121.70 1ij3 h GLU 20 Ca 0.24 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1ij3 h GLU 20 Cb 0.20 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ij3 h GLU 20 CO -0.02 0.51 -0.24 -0.91 -1.00 0.00 0.00 179.01 177.35 1ij3 h ASN 21 N 0.79 0.61 -0.53 1.42 2.35 -1.07 -2.13 115.58 117.02 1ij3 h ASN 21 Ca 0.27 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1ij3 h ASN 21 Cb 0.03 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1ij3 h ASN 21 CO -0.11 0.84 0.03 -0.33 -1.65 0.00 0.00 177.43 176.21 1ij3 h GLU 22 N 0.53 0.92 -0.49 0.81 4.39 -0.67 -0.96 114.58 119.11 1ij3 h GLU 22 Ca 0.08 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 1ij3 h GLU 22 Cb 0.69 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1ij3 h GLU 22 CO 0.05 0.92 0.08 0.28 -1.16 0.00 0.00 179.01 179.19 1ij3 h VAL 23 N 0.80 1.22 -0.43 3.13 2.07 -0.75 -0.55 116.25 121.74 1ij3 h VAL 23 Ca 0.15 -0.83 -0.13 0.00 0.82 0.00 0.00 66.70 66.71 1ij3 h VAL 23 Cb 0.49 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1ij3 h VAL 23 CO 0.02 0.30 -0.24 0.00 0.02 0.00 0.00 177.57 177.68 1ij3 h ALA 24 N 1.36 0.61 -0.56 1.67 0.00 -1.11 -1.03 119.26 120.19 1ij3 h ALA 24 Ca 0.16 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1ij3 h ALA 24 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ij3 h ALA 24 CO 0.00 0.61 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 1ij3 h ARG 25 N 0.75 1.04 -0.39 0.00 3.08 -0.81 -2.41 114.38 115.63 1ij3 h ARG 25 Ca 0.09 -0.36 -0.15 0.00 0.07 0.00 0.00 59.98 59.63 1ij3 h ARG 25 Cb 0.81 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1ij3 h ARG 25 CO 0.07 1.05 -0.35 -0.07 -1.07 0.00 0.00 179.97 179.60 1ij3 h LEU 26 N 0.93 0.95 0.00 3.04 3.38 -1.00 0.61 115.31 123.23 1ij3 h LEU 26 Ca 0.15 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1ij3 h LEU 26 Cb 0.63 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ij3 h LEU 26 CO 0.04 1.20 0.00 2.29 0.09 0.00 0.00 178.44 182.06 1ij3 n LYS 27 N -4.06 0.39 -0.12 1.13 2.85 -0.40 0.35 118.16 118.30 1ij3 n LYS 27 Ca -0.02 0.03 -0.23 0.00 -1.05 0.00 0.00 58.31 57.04 1ij3 n LYS 27 Cb 0.52 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.32 1ij3 n LYS 27 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1ij3 n LYS 28 N -1.29 0.56 -0.68 -1.58 4.81 -0.91 -4.34 118.16 114.73 1ij3 n LYS 28 Ca 0.13 0.37 -0.05 0.00 -0.87 0.00 0.00 58.31 57.89 1ij3 n LYS 28 Cb 0.22 -1.57 -0.07 0.00 0.02 0.00 0.00 35.03 33.62 1ij3 n LYS 28 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1ij3 n LEU 29 N -4.36 4.94 -0.02 3.14 7.99 0.18 -4.68 117.00 124.19 1ij3 n LEU 29 Ca -0.39 -2.60 -0.00 0.00 -0.01 0.00 0.00 56.01 53.01 1ij3 n LEU 29 Cb 0.73 -1.18 -0.00 0.00 -0.11 0.00 0.00 43.42 42.86 1ij3 n LEU 29 CO 0.11 1.23 -0.00 1.33 -1.51 0.00 0.00 177.39 178.54 1ij3 n VAL 30 N 2.00 0.00 0.72 4.08 0.24 -1.23 -4.86 118.33 119.28 1ij3 n VAL 30 Ca 0.19 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.54 1ij3 n VAL 30 Cb 0.65 -0.68 0.34 0.00 -1.47 0.00 0.00 33.84 32.68 1ij3 n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ij3 n GLY 31 N -0.36 -0.36 0.00 7.63 0.00 1.10 -4.96 105.19 108.24 1ij3 n GLY 31 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ij3 n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50