#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ij2 h MET 2 N 0.00 0.68 -0.26 5.56 4.05 -2.05 -1.80 114.93 121.12 1ij2 h MET 2 Ca 0.00 -0.45 -0.13 0.00 -0.28 0.00 0.00 59.70 58.84 1ij2 h MET 2 Cb 0.00 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 1ij2 h MET 2 CO 0.00 1.07 -0.39 0.87 0.23 0.00 0.00 176.91 178.69 1ij2 h LYS 3 N 0.39 0.60 -0.75 0.39 1.57 -2.05 -0.76 116.57 115.96 1ij2 h LYS 3 Ca 0.01 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1ij2 h LYS 3 Cb 1.05 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 1ij2 h LYS 3 CO 0.10 0.89 0.38 1.96 -0.57 0.00 0.00 179.45 182.21 1ij2 h GLN 4 N 0.50 1.07 -0.48 3.15 4.20 -1.98 -0.14 115.11 121.42 1ij2 h GLN 4 Ca 0.05 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 1ij2 h GLN 4 Cb 0.89 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1ij2 h GLN 4 CO 0.08 0.82 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.82 1ij2 h LEU 5 N 1.05 0.97 -0.75 1.46 -0.00 -1.07 -1.60 115.31 115.37 1ij2 h LEU 5 Ca 0.26 -0.38 0.06 0.00 -0.00 0.00 0.00 57.88 57.82 1ij2 h LEU 5 Cb 0.08 -0.27 -0.06 0.00 -0.00 0.00 0.00 40.66 40.42 1ij2 h LEU 5 CO -0.04 1.13 0.44 -0.33 -0.00 0.00 0.00 178.44 179.64 1ij2 h GLU 6 N 0.81 0.78 -0.45 1.13 5.08 -0.73 0.48 114.58 121.68 1ij2 h GLU 6 Ca 0.12 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1ij2 h GLU 6 Cb 0.73 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1ij2 h GLU 6 CO 0.06 0.52 0.21 -0.44 -1.00 0.00 0.00 179.01 178.35 1ij2 h ASP 7 N 0.80 0.60 -0.32 1.42 3.32 -0.61 -0.91 116.42 120.72 1ij2 h ASP 7 Ca 0.33 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 1ij2 h ASP 7 Cb 0.19 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1ij2 h ASP 7 CO -0.18 0.57 -0.25 0.50 -1.72 0.00 0.00 179.24 178.15 1ij2 h LYS 8 N 0.58 0.82 -0.54 3.56 1.63 -0.78 -0.75 116.57 121.09 1ij2 h LYS 8 Ca 0.15 -0.35 -0.09 0.00 -0.85 0.00 0.00 60.65 59.52 1ij2 h LYS 8 Cb 0.13 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 1ij2 h LYS 8 CO -0.02 0.98 0.00 0.28 -3.45 0.00 0.00 179.45 177.24 1ij2 h VAL 9 N 0.70 1.26 -0.79 2.00 2.07 -0.77 -0.35 116.25 120.37 1ij2 h VAL 9 Ca 0.09 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1ij2 h VAL 9 Cb 0.78 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1ij2 h VAL 9 CO 0.06 0.39 0.34 -0.33 0.02 0.00 0.00 177.57 178.05 1ij2 h GLU 10 N 0.83 1.17 -0.31 1.57 4.39 -0.88 -0.59 114.58 120.77 1ij2 h GLU 10 Ca 0.15 -0.20 -0.14 0.00 0.34 0.00 0.00 59.36 59.51 1ij2 h GLU 10 Cb 0.53 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1ij2 h GLU 10 CO 0.03 0.94 -0.39 1.05 -1.16 0.00 0.00 179.01 179.48 1ij2 h GLU 11 N 1.14 0.73 -0.01 2.33 4.11 -0.81 -1.34 114.58 120.74 1ij2 h GLU 11 Ca 0.27 -0.37 -0.08 0.00 0.07 0.00 0.00 59.36 59.24 1ij2 h GLU 11 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ij2 h GLU 11 CO -0.03 0.99 -0.36 -0.07 0.07 0.00 0.00 179.01 179.62 1ij2 h LEU 12 N 0.60 0.02 -0.34 3.06 3.38 -0.68 -0.75 115.31 120.60 1ij2 h LEU 12 Ca 0.05 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1ij2 h LEU 12 Cb 0.93 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1ij2 h LEU 12 CO 0.08 0.38 -0.03 -0.07 0.09 0.00 0.00 178.44 178.89 1ij2 h LEU 13 N 0.02 0.62 -0.80 1.67 3.38 -0.77 -0.14 115.31 119.28 1ij2 h LEU 13 Ca -0.00 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1ij2 h LEU 13 Cb 0.65 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1ij2 h LEU 13 CO 0.05 0.80 0.46 0.28 0.09 0.00 0.00 178.44 180.13 1ij2 h SER 14 N 0.42 0.98 -0.48 -0.43 0.02 -0.86 -1.18 113.55 112.03 1ij2 h SER 14 Ca 0.09 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1ij2 h SER 14 Cb 0.51 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1ij2 h SER 14 CO 0.02 0.78 0.12 0.11 -1.14 0.00 0.00 176.83 176.72 1ij2 h LYS 15 N 1.11 0.76 -0.53 3.45 1.57 -0.90 -1.66 116.57 120.37 1ij2 h LYS 15 Ca 0.29 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1ij2 h LYS 15 Cb -0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1ij2 h LYS 15 CO -0.05 0.75 0.04 1.79 -0.57 0.00 0.00 179.45 181.40 1ij2 h THR 16 N 0.64 1.25 -0.49 -0.16 1.35 -0.69 -0.01 112.91 114.80 1ij2 h THR 16 Ca 0.15 -1.00 -0.03 0.00 -0.55 0.00 0.00 66.41 64.99 1ij2 h THR 16 Cb 0.33 0.80 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 1ij2 h THR 16 CO 0.00 0.36 0.20 1.88 -0.25 0.00 0.00 175.52 177.71 1ij2 h TYR 17 N 0.82 0.75 -0.28 4.73 0.99 -1.11 -0.28 116.97 122.58 1ij2 h TYR 17 Ca 0.16 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.83 1ij2 h TYR 17 Cb 0.44 -0.22 -0.01 0.00 1.00 0.00 0.00 36.73 37.93 1ij2 h TYR 17 CO 0.03 0.62 0.14 1.25 -0.00 0.00 0.00 178.16 180.20 1ij2 h HIS 18 N 0.65 0.40 -0.35 4.88 2.76 -0.68 -2.51 115.15 120.31 1ij2 h HIS 18 Ca 0.16 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.27 1ij2 h HIS 18 Cb 0.19 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 1ij2 h HIS 18 CO 0.00 0.36 0.02 -0.07 -1.30 0.00 0.00 177.93 176.94 1ij2 h LEU 19 N 0.32 0.50 -0.40 0.26 3.38 -0.79 -1.57 115.31 117.00 1ij2 h LEU 19 Ca 0.10 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ij2 h LEU 19 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1ij2 h LEU 19 CO -0.01 0.55 0.24 -0.08 0.09 0.00 0.00 178.44 179.23 1ij2 h GLU 20 N 0.51 0.54 -0.69 1.13 4.81 -0.79 -0.66 114.58 119.43 1ij2 h GLU 20 Ca 0.11 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1ij2 h GLU 20 Cb 0.31 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1ij2 h GLU 20 CO 0.01 0.40 0.27 -0.91 -0.73 0.00 0.00 179.01 178.05 1ij2 h ASN 21 N 0.53 0.93 -0.50 1.04 2.35 -1.01 0.87 115.58 119.80 1ij2 h ASN 21 Ca 0.14 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1ij2 h ASN 21 Cb -0.00 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1ij2 h ASN 21 CO -0.03 0.84 -0.00 -0.33 -1.65 0.00 0.00 177.43 176.26 1ij2 h GLU 22 N 1.00 0.88 -0.51 0.81 4.39 -0.95 -1.44 114.58 118.76 1ij2 h GLU 22 Ca 0.23 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1ij2 h GLU 22 Cb 0.20 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1ij2 h GLU 22 CO -0.02 0.92 -0.10 0.28 -1.16 0.00 0.00 179.01 178.93 1ij2 h VAL 23 N 0.75 1.26 -0.02 3.13 2.07 -0.77 -0.79 116.25 121.88 1ij2 h VAL 23 Ca 0.14 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1ij2 h VAL 23 Cb 0.52 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1ij2 h VAL 23 CO 0.03 0.43 0.01 0.00 0.02 0.00 0.00 177.57 178.06 1ij2 h ALA 24 N 1.03 0.03 -0.68 1.67 0.00 -0.49 0.63 119.26 121.44 1ij2 h ALA 24 Ca 0.14 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1ij2 h ALA 24 Cb 0.64 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1ij2 h ALA 24 CO 0.04 -0.48 0.37 -0.09 0.00 0.00 0.00 179.25 179.10 1ij2 h ARG 25 N 0.03 0.65 -0.01 0.00 2.43 -1.08 -2.09 114.38 114.31 1ij2 h ARG 25 Ca 0.01 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ij2 h ARG 25 Cb -0.00 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1ij2 h ARG 25 CO -0.00 0.43 0.00 -0.07 -1.51 0.00 0.00 179.97 178.82 1ij2 h LEU 26 N 0.67 0.01 -1.42 3.80 3.38 -0.48 -2.65 115.31 118.62 1ij2 h LEU 26 Ca 0.31 -0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.20 1ij2 h LEU 26 Cb 0.23 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1ij2 h LEU 26 CO -0.20 0.22 0.53 0.11 0.09 0.00 0.00 178.44 179.19 1ij2 h LYS 27 N -0.20 0.57 -0.68 1.13 1.57 -0.52 0.46 116.57 118.90 1ij2 h LYS 27 Ca 0.00 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1ij2 h LYS 27 Cb 0.21 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1ij2 h LYS 27 CO -0.00 0.38 0.15 -0.22 -0.57 0.00 0.00 179.45 179.19 1ij2 h LYS 28 N 0.59 1.10 -0.10 3.15 3.64 -1.27 0.53 116.57 124.21 1ij2 h LYS 28 Ca 0.39 -0.27 -0.21 0.00 -1.27 0.00 0.00 60.65 59.29 1ij2 h LYS 28 Cb 0.70 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1ij2 h LYS 28 CO -0.15 0.99 -0.78 -0.07 -2.27 0.00 0.00 179.45 177.16 1ij2 h LEU 29 N 1.03 0.69 0.00 5.20 4.07 -0.63 -3.37 115.31 122.29 1ij2 h LEU 29 Ca 0.21 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1ij2 h LEU 29 Cb 0.39 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1ij2 h LEU 29 CO 0.01 1.23 0.00 0.52 -1.08 0.00 0.00 178.44 179.12 1ij2 n VAL 30 N -3.87 0.00 0.00 1.22 0.31 -0.14 -5.10 118.33 110.76 1ij2 n VAL 30 Ca -0.06 0.61 0.00 0.00 -0.01 0.00 0.00 64.34 64.88 1ij2 n VAL 30 Cb 0.74 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1ij2 n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ij2 n GLY 31 N 1.65 2.79 0.00 2.92 0.00 0.17 -5.09 105.19 107.63 1ij2 n GLY 31 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1ij2 n GLY 31 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48