#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 0.59 -0.26 -0.14 4.05 -2.05 -1.93 114.93 115.19 1ij2 h MET 2 Ca 0.00 -0.19 -0.12 0.00 -0.28 0.00 0.00 59.70 59.11 1ij2 h MET 2 Cb 0.00 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1ij2 h MET 2 CO 0.00 0.71 -0.34 0.87 0.23 0.00 0.00 176.91 178.38 1ij2 h LYS 3 N 0.54 0.57 -0.46 0.39 1.79 -2.05 -1.61 116.57 115.74 1ij2 h LYS 3 Ca 0.10 -0.26 -0.08 0.00 -2.18 0.00 0.00 60.65 58.23 1ij2 h LYS 3 Cb 0.55 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.17 1ij2 h LYS 3 CO 0.03 0.83 -0.01 1.96 -1.08 0.00 0.00 179.45 181.19 1ij2 h GLN 4 N 0.48 0.81 -0.81 3.15 1.08 -1.90 -0.26 115.11 117.66 1ij2 h GLN 4 Ca 0.05 -0.27 -0.04 0.00 -1.45 0.00 0.00 58.65 56.94 1ij2 h GLN 4 Cb 0.82 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.14 1ij2 h GLN 4 CO 0.07 0.88 0.34 -0.07 -0.95 0.00 0.00 178.83 179.09 1ij2 h LEU 5 N 0.66 1.11 -0.56 1.46 3.38 -1.26 -1.01 115.31 119.10 1ij2 h LEU 5 Ca 0.13 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1ij2 h LEU 5 Cb 0.52 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ij2 h LEU 5 CO 0.03 0.97 0.17 -0.08 0.09 0.00 0.00 178.44 179.61 1ij2 h GLU 6 N 1.18 0.87 -0.53 1.13 4.81 -1.02 -0.05 114.58 120.97 1ij2 h GLU 6 Ca 0.27 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1ij2 h GLU 6 Cb 0.20 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1ij2 h GLU 6 CO -0.03 0.80 0.33 -0.44 -0.73 0.00 0.00 179.01 178.94 1ij2 h ASP 7 N 0.78 0.54 -0.62 1.04 3.32 -0.28 -0.65 116.42 120.55 1ij2 h ASP 7 Ca 0.18 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 1ij2 h ASP 7 Cb 0.30 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1ij2 h ASP 7 CO -0.00 0.38 0.05 0.11 -1.72 0.00 0.00 179.24 178.06 1ij2 h LYS 8 N 0.65 1.07 -0.32 3.56 1.79 -0.87 -1.94 116.57 120.51 1ij2 h LYS 8 Ca 0.21 -0.31 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 1ij2 h LYS 8 Cb 0.00 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1ij2 h LYS 8 CO -0.09 1.01 -0.11 0.28 -1.08 0.00 0.00 179.45 179.46 1ij2 h VAL 9 N 0.99 1.23 -0.45 0.50 2.07 -0.60 0.17 116.25 120.16 1ij2 h VAL 9 Ca 0.19 -1.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 1ij2 h VAL 9 Cb 0.49 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1ij2 h VAL 9 CO 0.02 0.34 -0.03 -0.33 0.02 0.00 0.00 177.57 177.58 1ij2 h GLU 10 N 0.50 0.77 -0.30 1.57 5.08 -0.65 0.10 114.58 121.64 1ij2 h GLU 10 Ca 0.09 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1ij2 h GLU 10 Cb 0.49 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1ij2 h GLU 10 CO 0.03 0.80 -0.24 1.49 -1.00 0.00 0.00 179.01 180.08 1ij2 h GLU 11 N 0.71 0.70 -0.11 2.33 4.81 -0.84 -2.72 114.58 119.45 1ij2 h GLU 11 Ca 0.13 -0.35 -0.11 0.00 -0.13 0.00 0.00 59.36 58.91 1ij2 h GLU 11 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1ij2 h GLU 11 CO 0.02 0.96 -0.42 -0.07 -0.73 0.00 0.00 179.01 178.77 1ij2 h LEU 12 N 0.45 0.25 -0.87 1.64 3.38 -0.68 -1.77 115.31 117.70 1ij2 h LEU 12 Ca 0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1ij2 h LEU 12 Cb 0.80 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1ij2 h LEU 12 CO 0.06 0.65 0.41 0.25 0.09 0.00 0.00 178.44 179.90 1ij2 h LEU 13 N 0.20 1.11 -0.20 1.67 7.12 -0.74 0.13 115.31 124.60 1ij2 h LEU 13 Ca 0.02 -0.13 -0.17 0.00 0.13 0.00 0.00 57.88 57.72 1ij2 h LEU 13 Cb 0.82 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1ij2 h LEU 13 CO 0.06 0.93 -0.54 0.28 -0.13 0.00 0.00 178.44 179.05 1ij2 h SER 14 N 1.21 0.82 -0.59 1.25 0.02 -1.25 -2.09 113.55 112.91 1ij2 h SER 14 Ca 0.29 -0.58 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1ij2 h SER 14 Cb 0.12 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1ij2 h SER 14 CO -0.04 1.25 0.29 0.11 -1.14 0.00 0.00 176.83 177.30 1ij2 h LYS 15 N 0.43 0.84 -0.66 3.45 1.57 -1.02 -1.24 116.57 119.94 1ij2 h LYS 15 Ca -0.01 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1ij2 h LYS 15 Cb 1.15 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1ij2 h LYS 15 CO 0.12 0.68 0.27 1.15 -0.57 0.00 0.00 179.45 181.09 1ij2 h THR 16 N 0.80 1.23 -0.19 -0.16 2.02 -0.72 -0.02 112.91 115.87 1ij2 h THR 16 Ca 0.20 -0.72 -0.17 0.00 0.77 0.00 0.00 66.41 66.50 1ij2 h THR 16 Cb 0.11 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1ij2 h THR 16 CO -0.03 0.29 -0.58 0.22 0.37 0.00 0.00 175.52 175.79 1ij2 h TYR 17 N 0.95 0.78 -0.17 3.16 3.20 -1.03 -2.14 116.97 121.72 1ij2 h TYR 17 Ca 0.22 -0.29 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 1ij2 h TYR 17 Cb 0.18 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1ij2 h TYR 17 CO 0.01 1.05 0.09 1.25 -1.64 0.00 0.00 178.16 178.92 1ij2 h HIS 18 N 0.46 0.24 -0.61 -3.82 2.76 -0.88 -1.38 115.15 111.92 1ij2 h HIS 18 Ca 0.00 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1ij2 h HIS 18 Cb 1.15 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 30.00 1ij2 h HIS 18 CO 0.05 0.24 0.29 -0.07 -1.30 0.00 0.00 177.93 177.14 1ij2 h LEU 19 N 0.17 0.78 -0.51 0.26 3.38 -0.98 -1.23 115.31 117.19 1ij2 h LEU 19 Ca 0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ij2 h LEU 19 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1ij2 h LEU 19 CO -0.01 0.67 0.26 -0.08 0.09 0.00 0.00 178.44 179.37 1ij2 h GLU 20 N 0.87 0.72 -0.73 1.13 4.81 -1.06 0.11 114.58 120.43 1ij2 h GLU 20 Ca 0.21 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1ij2 h GLU 20 Cb 0.10 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1ij2 h GLU 20 CO -0.03 0.58 0.42 -0.91 -0.73 0.00 0.00 179.01 178.34 1ij2 h ASN 21 N 0.67 0.89 -0.48 1.04 2.35 -0.58 -1.05 115.58 118.43 1ij2 h ASN 21 Ca 0.18 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1ij2 h ASN 21 Cb 0.08 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1ij2 h ASN 21 CO -0.03 0.72 -0.02 -0.33 -1.65 0.00 0.00 177.43 176.12 1ij2 h GLU 22 N 1.00 0.85 -0.61 0.81 4.39 -0.89 -1.87 114.58 118.27 1ij2 h GLU 22 Ca 0.26 -0.28 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 1ij2 h GLU 22 Cb 0.01 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1ij2 h GLU 22 CO -0.04 0.91 0.05 0.28 -1.16 0.00 0.00 179.01 179.04 1ij2 h VAL 23 N 0.70 1.26 -0.83 3.13 2.07 -0.61 -1.70 116.25 120.28 1ij2 h VAL 23 Ca 0.13 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1ij2 h VAL 23 Cb 0.54 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1ij2 h VAL 23 CO 0.03 0.39 0.46 0.00 0.02 0.00 0.00 177.57 178.47 1ij2 h ALA 24 N 1.00 1.07 -0.32 1.67 0.00 -1.12 0.11 119.26 121.67 1ij2 h ALA 24 Ca 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ij2 h ALA 24 Cb 0.49 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ij2 h ALA 24 CO 0.02 0.58 0.14 0.00 0.00 0.00 0.00 179.25 179.99 1ij2 h ARG 25 N 1.16 0.48 -0.91 0.00 3.08 -1.05 -2.26 114.38 114.88 1ij2 h ARG 25 Ca 0.29 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1ij2 h ARG 25 Cb 0.03 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1ij2 h ARG 25 CO -0.05 0.47 0.51 -0.07 -1.07 0.00 0.00 179.97 179.77 1ij2 h LEU 26 N 0.38 1.13 -1.07 3.04 3.38 -0.81 -1.16 115.31 120.20 1ij2 h LEU 26 Ca 0.11 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ij2 h LEU 26 Cb 0.17 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1ij2 h LEU 26 CO -0.01 0.90 0.63 0.11 0.09 0.00 0.00 178.44 180.16 1ij2 h LYS 27 N 1.27 1.25 0.00 1.13 1.57 -0.52 -0.49 116.57 120.78 1ij2 h LYS 27 Ca 0.32 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1ij2 h LYS 27 Cb 0.01 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 1ij2 h LYS 27 CO -0.05 0.83 -0.25 0.87 -0.57 0.00 0.00 179.45 180.27 1ij2 h LYS 28 N 1.29 0.00 0.02 3.15 6.56 -0.89 0.15 116.57 126.85 1ij2 h LYS 28 Ca 0.35 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.68 1ij2 h LYS 28 Cb -0.15 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.48 1ij2 h LYS 28 CO -0.08 0.25 -1.35 -0.07 -2.06 0.00 0.00 179.45 176.14 1ij2 h LEU 29 N 0.00 0.06 0.00 2.94 4.07 -0.57 -3.39 115.31 118.42 1ij2 h LEU 29 Ca -0.00 -0.08 -0.14 0.00 0.08 0.00 0.00 57.88 57.73 1ij2 h LEU 29 Cb 1.02 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1ij2 h LEU 29 CO 0.03 1.07 -0.87 0.58 -1.08 0.00 0.00 178.44 178.17 1ij2 h VAL 30 N 0.01 0.81 0.00 1.22 2.07 -1.13 -3.51 116.25 115.71 1ij2 h VAL 30 Ca -0.15 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1ij2 h VAL 30 Cb 1.90 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1ij2 h VAL 30 CO 0.11 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.59