#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 0.05 -0.99 5.56 2.86 -2.05 -1.47 114.93 118.88 1ij3 h MET 2 Ca 0.00 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.69 1ij3 h MET 2 Cb 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 1ij3 h MET 2 CO 0.00 0.51 0.64 -0.22 1.06 0.00 0.00 176.91 178.89 1ij3 h LYS 3 N -0.41 1.09 -0.78 1.72 1.63 -2.06 -1.26 116.57 116.51 1ij3 h LYS 3 Ca 0.00 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1ij3 h LYS 3 Cb 0.50 -0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 1ij3 h LYS 3 CO 0.00 0.72 0.50 0.37 -3.45 0.00 0.00 179.45 177.60 1ij3 h GLN 4 N 1.12 1.03 -0.46 1.90 4.15 -1.96 -1.46 115.11 119.43 1ij3 h GLN 4 Ca 0.44 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.74 1ij3 h GLN 4 Cb 0.24 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1ij3 h GLN 4 CO -0.19 0.70 0.10 -0.07 -1.93 0.00 0.00 178.83 177.43 1ij3 h LEU 5 N 1.05 0.72 -0.80 -2.39 3.38 -0.17 -1.47 115.31 115.63 1ij3 h LEU 5 Ca 0.28 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1ij3 h LEU 5 Cb -0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 1ij3 h LEU 5 CO -0.06 0.78 0.51 -0.33 0.09 0.00 0.00 178.44 179.42 1ij3 h GLU 6 N 0.63 0.94 -0.64 1.13 5.08 -1.03 0.07 114.58 120.76 1ij3 h GLU 6 Ca 0.14 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1ij3 h GLU 6 Cb 0.35 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1ij3 h GLU 6 CO 0.00 0.62 0.19 -0.44 -1.00 0.00 0.00 179.01 178.39 1ij3 h ASP 7 N 0.97 0.94 -0.42 1.42 3.32 -0.93 -1.25 116.42 120.46 1ij3 h ASP 7 Ca 0.33 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 1ij3 h ASP 7 Cb 0.05 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1ij3 h ASP 7 CO -0.13 0.90 -0.32 0.11 -1.72 0.00 0.00 179.24 178.09 1ij3 h LYS 8 N 0.92 0.97 -0.35 3.56 1.57 -0.84 -1.98 116.57 120.41 1ij3 h LYS 8 Ca 0.20 -0.47 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 1ij3 h LYS 8 Cb 0.31 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1ij3 h LYS 8 CO -0.00 1.14 -0.12 0.28 -0.57 0.00 0.00 179.45 180.17 1ij3 h VAL 9 N 0.81 1.24 -0.45 0.50 2.07 -0.88 0.39 116.25 119.94 1ij3 h VAL 9 Ca 0.08 -1.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.41 1ij3 h VAL 9 Cb 0.91 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1ij3 h VAL 9 CO 0.08 0.36 -0.16 1.05 0.02 0.00 0.00 177.57 178.93 1ij3 h GLU 10 N 0.56 0.85 -0.52 1.57 4.11 -1.04 -0.59 114.58 119.52 1ij3 h GLU 10 Ca 0.10 -0.32 -0.10 0.00 0.07 0.00 0.00 59.36 59.12 1ij3 h GLU 10 Cb 0.53 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1ij3 h GLU 10 CO 0.03 0.95 -0.06 1.49 0.07 0.00 0.00 179.01 181.49 1ij3 h GLU 11 N 0.75 0.96 -0.65 1.06 4.57 -0.95 -2.31 114.58 118.00 1ij3 h GLU 11 Ca 0.11 -0.34 -0.08 0.00 -1.18 0.00 0.00 59.36 57.87 1ij3 h GLU 11 Cb 0.67 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 1ij3 h GLU 11 CO 0.05 1.00 0.08 -0.07 -1.18 0.00 0.00 179.01 178.89 1ij3 h LEU 12 N 0.83 1.06 -0.87 1.64 3.38 -0.59 -0.89 115.31 119.87 1ij3 h LEU 12 Ca 0.14 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1ij3 h LEU 12 Cb 0.61 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1ij3 h LEU 12 CO 0.04 1.06 0.16 -0.07 0.09 0.00 0.00 178.44 179.73 1ij3 h LEU 13 N 1.01 0.94 -0.40 1.67 3.38 -1.01 -0.20 115.31 120.71 1ij3 h LEU 13 Ca 0.19 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1ij3 h LEU 13 Cb 0.47 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ij3 h LEU 13 CO 0.02 0.91 -0.18 0.77 0.09 0.00 0.00 178.44 180.05 1ij3 h SER 14 N 0.96 0.84 -0.68 -0.43 4.64 -1.00 -2.06 113.55 115.81 1ij3 h SER 14 Ca 0.21 -0.40 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 1ij3 h SER 14 Cb 0.33 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 1ij3 h SER 14 CO -0.00 1.05 0.27 0.11 -0.87 0.00 0.00 176.83 177.39 1ij3 h LYS 15 N 0.63 1.05 -0.52 4.77 1.57 -0.98 -2.27 116.57 120.82 1ij3 h LYS 15 Ca 0.09 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1ij3 h LYS 15 Cb 0.73 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1ij3 h LYS 15 CO 0.06 0.86 0.08 0.66 -0.57 0.00 0.00 179.45 180.53 1ij3 h SER 16 N 1.02 0.83 -0.48 0.86 4.64 -0.82 -1.68 113.55 117.92 1ij3 h SER 16 Ca 0.23 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1ij3 h SER 16 Cb 0.22 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 1ij3 h SER 16 CO -0.02 0.89 0.30 1.88 -0.87 0.00 0.00 176.83 179.00 1ij3 h TYR 17 N 0.75 0.64 -0.54 4.77 0.99 -1.12 -0.41 116.97 122.04 1ij3 h TYR 17 Ca 0.16 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.86 1ij3 h TYR 17 Cb 0.41 -0.21 -0.02 0.00 1.00 0.00 0.00 36.73 37.91 1ij3 h TYR 17 CO 0.03 0.44 0.22 0.45 -0.00 0.00 0.00 178.16 179.30 1ij3 h HIS 18 N 0.65 0.81 -0.51 4.88 3.86 -1.24 -0.81 115.15 122.79 1ij3 h HIS 18 Ca 0.17 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 1ij3 h HIS 18 Cb -0.02 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 1ij3 h HIS 18 CO -0.03 0.66 0.14 -0.07 0.86 0.00 0.00 177.93 179.49 1ij3 h LEU 19 N 0.73 0.77 -0.93 2.43 3.38 -1.16 -0.63 115.31 119.91 1ij3 h LEU 19 Ca 0.18 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1ij3 h LEU 19 Cb 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1ij3 h LEU 19 CO -0.02 0.79 0.32 -0.33 0.09 0.00 0.00 178.44 179.30 1ij3 h GLU 20 N 0.71 1.10 -0.46 1.13 5.08 -0.75 -0.27 114.58 121.11 1ij3 h GLU 20 Ca 0.16 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1ij3 h GLU 20 Cb 0.32 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1ij3 h GLU 20 CO -0.00 0.87 -0.26 -0.91 -1.00 0.00 0.00 179.01 177.71 1ij3 h ASN 21 N 1.08 1.03 -0.60 1.42 2.35 -0.98 -1.34 115.58 118.53 1ij3 h ASN 21 Ca 0.25 -0.41 -0.07 0.00 -0.55 0.00 0.00 56.30 55.52 1ij3 h ASN 21 Cb 0.17 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1ij3 h ASN 21 CO -0.03 1.22 0.10 -0.33 -1.65 0.00 0.00 177.43 176.74 1ij3 h GLU 22 N 0.84 1.02 -0.15 0.81 4.39 -0.63 -1.15 114.58 119.71 1ij3 h GLU 22 Ca 0.10 -0.26 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 1ij3 h GLU 22 Cb 0.85 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1ij3 h GLU 22 CO 0.07 0.95 -0.29 0.28 -1.16 0.00 0.00 179.01 178.86 1ij3 h VAL 23 N 0.96 1.26 0.00 3.13 2.07 -0.84 -1.23 116.25 121.60 1ij3 h VAL 23 Ca 0.19 -1.24 -0.12 0.00 0.82 0.00 0.00 66.70 66.35 1ij3 h VAL 23 Cb 0.42 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1ij3 h VAL 23 CO 0.01 0.38 -0.58 0.00 0.02 0.00 0.00 177.57 177.40 1ij3 h ALA 24 N 1.44 1.03 -0.14 1.67 0.00 -0.67 -2.54 119.26 120.06 1ij3 h ALA 24 Ca 0.04 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1ij3 h ALA 24 Cb 0.65 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ij3 h ALA 24 CO 0.05 0.73 -0.16 -0.09 0.00 0.00 0.00 179.25 179.77 1ij3 h ARG 25 N 0.00 0.36 -0.08 0.00 2.43 -0.71 -3.08 114.38 113.30 1ij3 h ARG 25 Ca -0.01 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 58.99 1ij3 h ARG 25 Cb 1.04 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1ij3 h ARG 25 CO 0.08 0.76 0.10 -0.07 -1.51 0.00 0.00 179.97 179.33 1ij3 h LEU 26 N -0.03 0.00 -0.12 3.80 3.38 -1.09 0.31 115.31 121.56 1ij3 h LEU 26 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ij3 h LEU 26 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ij3 h LEU 26 CO 0.04 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.86 1ij3 n LYS 27 N -3.75 0.13 -0.08 1.13 5.02 -0.97 -1.58 118.16 118.07 1ij3 n LYS 27 Ca -0.01 0.19 -0.10 0.00 -2.02 0.00 0.00 58.31 56.37 1ij3 n LYS 27 Cb 0.19 -1.68 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 1ij3 n LYS 27 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1ij3 h LYS 28 N 0.00 0.00 0.00 1.97 1.63 -0.47 -3.33 116.57 116.37 1ij3 h LYS 28 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ij3 h LYS 28 Cb 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1ij3 h LYS 28 CO 0.00 0.37 0.00 1.28 -3.45 0.00 0.00 179.45 177.65 1ij3 n LEU 29 N -4.57 0.00 -0.41 5.20 7.99 -0.71 -0.93 117.00 123.57 1ij3 n LEU 29 Ca -0.15 0.35 0.09 0.00 -0.01 0.00 0.00 56.01 56.30 1ij3 n LEU 29 Cb 0.39 -0.35 -0.01 0.00 -0.11 0.00 0.00 43.42 43.34 1ij3 n LEU 29 CO 0.13 -0.23 0.27 0.55 -1.51 0.00 0.00 177.39 176.60 1ij3 n VAL 30 N -1.35 0.00 -1.47 4.08 3.14 -0.61 -5.06 118.33 117.05 1ij3 n VAL 30 Ca 0.04 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 1ij3 n VAL 30 Cb 0.10 1.21 0.00 0.00 -1.06 0.00 0.00 33.84 34.09 1ij3 n VAL 30 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98