#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifj h GLU 2 N 0.00 1.11 0.20 0.00 5.08 -2.08 -1.79 114.58 117.10 1ifj h GLU 2 Ca 0.00 -0.07 -0.32 0.00 -1.00 0.00 0.00 59.36 57.97 1ifj h GLU 2 Cb 0.00 -0.25 0.02 0.00 0.50 0.00 0.00 28.75 29.02 1ifj h GLU 2 CO 0.00 0.74 -1.51 0.78 -1.00 0.00 0.00 179.01 178.01 1ifj h GLY 3 N 1.14 0.49 2.00 -3.84 0.00 -2.07 -3.31 103.07 97.49 1ifj h GLY 3 Ca 0.39 -1.25 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1ifj h GLY 3 CO -0.14 1.09 0.00 1.29 0.00 0.00 0.00 176.54 178.79 1ifj h ASP 4 N 0.02 0.00 0.09 0.19 3.04 -1.99 -3.32 116.42 114.45 1ifj h ASP 4 Ca -0.29 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 53.51 1ifj h ASP 4 Cb 2.04 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 40.31 1ifj h ASP 4 CO 0.20 0.00 -0.13 0.44 -2.04 0.00 0.00 179.24 177.71 1ifj h ASP 5 N 0.00 -0.36 -0.30 4.15 3.32 -1.41 0.17 116.42 121.98 1ifj h ASP 5 Ca 0.00 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.15 1ifj h ASP 5 Cb 0.55 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1ifj h ASP 5 CO 0.00 -0.20 0.21 -0.65 -1.72 0.00 0.00 179.24 176.88 1ifj h PRO 6 N -0.27 0.17 -0.14 3.56 0.11 -1.76 -1.90 132.00 131.77 1ifj h PRO 6 Ca 0.02 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.92 1ifj h PRO 6 Cb 0.28 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.36 1ifj h PRO 6 CO -0.07 0.11 -0.69 0.00 -0.21 0.00 0.00 178.00 177.14 1ifj h ALA 7 N 1.84 0.28 -0.74 -0.75 0.00 -1.53 -1.49 119.26 116.86 1ifj h ALA 7 Ca 0.13 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1ifj h ALA 7 Cb 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1ifj h ALA 7 CO -0.02 0.59 0.30 0.87 0.00 0.00 0.00 179.25 180.99 1ifj h LYS 8 N 0.43 1.11 -0.40 0.00 1.57 0.08 -0.30 116.57 119.05 1ifj h LYS 8 Ca -0.05 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.40 1ifj h LYS 8 Cb 1.33 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1ifj h LYS 8 CO 0.14 0.90 -0.30 0.00 -0.57 0.00 0.00 179.45 179.63 1ifj h ALA 9 N 1.15 0.72 -0.76 3.86 0.00 -1.48 -0.06 119.26 122.69 1ifj h ALA 9 Ca 0.25 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ifj h ALA 9 Cb 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1ifj h ALA 9 CO -0.02 0.66 0.43 0.00 0.00 0.00 0.00 179.25 180.33 1ifj h ALA 10 N 0.92 1.33 -0.49 0.00 0.00 -0.60 -0.92 119.26 119.50 1ifj h ALA 10 Ca 0.08 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1ifj h ALA 10 Cb 0.86 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ifj h ALA 10 CO 0.08 0.56 -0.15 0.74 0.00 0.00 0.00 179.25 180.47 1ifj h PHE 11 N 1.05 1.10 -0.75 0.00 0.04 -0.60 -0.54 116.94 117.24 1ifj h PHE 11 Ca 0.27 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1ifj h PHE 11 Cb -0.00 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 37.84 1ifj h PHE 11 CO 0.01 1.05 0.48 -0.44 -0.60 0.00 0.00 178.31 178.81 1ifj h ASP 12 N 0.83 0.87 -0.13 2.17 3.32 -0.22 0.41 116.42 123.67 1ifj h ASP 12 Ca 0.12 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1ifj h ASP 12 Cb 0.72 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1ifj h ASP 12 CO 0.05 0.64 0.02 0.28 -1.72 0.00 0.00 179.24 178.52 1ifj h SER 13 N 1.02 0.20 -0.32 6.45 0.02 -0.94 -1.04 113.55 118.94 1ifj h SER 13 Ca 0.27 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1ifj h SER 13 Cb -0.10 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1ifj h SER 13 CO -0.06 0.41 0.10 -0.07 -1.14 0.00 0.00 176.83 176.07 1ifj h LEU 14 N -0.01 0.53 -0.18 5.07 3.38 -0.28 -1.29 115.31 122.53 1ifj h LEU 14 Ca 0.04 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 1ifj h LEU 14 Cb 0.29 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1ifj h LEU 14 CO 0.00 0.53 -0.88 -0.61 0.09 0.00 0.00 178.44 177.57 1ifj h GLN 15 N 0.56 0.58 -0.35 1.13 4.15 -0.51 -0.33 115.11 120.34 1ifj h GLN 15 Ca 0.13 -0.55 -0.11 0.00 0.77 0.00 0.00 58.65 58.89 1ifj h GLN 15 Cb 0.21 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1ifj h GLN 15 CO -0.00 1.17 -0.24 0.00 -1.93 0.00 0.00 178.83 177.82 1ifj h ALA 16 N 0.65 0.91 -0.86 3.38 0.00 -0.99 -0.69 119.26 121.66 1ifj h ALA 16 Ca -0.08 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.49 1ifj h ALA 16 Cb 1.51 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1ifj h ALA 16 CO 0.17 0.62 0.56 0.77 0.00 0.00 0.00 179.25 181.36 1ifj h SER 17 N 0.62 0.93 -0.37 0.00 0.02 -0.71 0.64 113.55 114.68 1ifj h SER 17 Ca 0.08 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1ifj h SER 17 Cb 0.74 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1ifj h SER 17 CO 0.06 0.64 0.01 0.00 -1.14 0.00 0.00 176.83 176.40 1ifj h ALA 18 N 1.35 1.16 -0.15 3.77 0.00 -0.23 -1.67 119.26 123.51 1ifj h ALA 18 Ca 0.34 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1ifj h ALA 18 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ifj h ALA 18 CO -0.11 0.55 -0.17 1.15 0.00 0.00 0.00 179.25 180.67 1ifj h THR 19 N 0.70 1.20 0.31 0.00 2.02 0.56 0.97 112.91 118.65 1ifj h THR 19 Ca 0.14 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1ifj h THR 19 Cb 0.42 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1ifj h THR 19 CO 0.02 0.27 -0.15 -0.33 0.37 0.00 0.00 175.52 175.70 1ifj h GLU 20 N 0.22 -0.40 -0.99 6.66 5.08 -0.51 0.19 114.58 124.84 1ifj h GLU 20 Ca 0.04 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1ifj h GLU 20 Cb 0.43 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1ifj h GLU 20 CO 0.03 -0.13 0.65 1.88 -1.00 0.00 0.00 179.01 180.45 1ifj h TYR 21 N -0.64 1.24 -0.77 4.33 0.05 -0.69 -0.85 116.97 119.64 1ifj h TYR 21 Ca -0.04 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 1ifj h TYR 21 Cb 0.46 -0.42 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 1ifj h TYR 21 CO 0.00 0.76 0.34 0.82 -1.05 0.00 0.00 178.16 179.02 1ifj h ILE 22 N 1.31 1.25 -0.61 -2.88 2.04 -0.62 -1.71 117.51 116.30 1ifj h ILE 22 Ca 0.37 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1ifj h ILE 22 Cb -0.10 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 1ifj h ILE 22 CO -0.09 0.31 0.40 1.23 0.00 0.00 0.00 178.15 179.99 1ifj h GLY 23 N 1.14 0.85 1.67 5.37 0.00 0.48 -0.11 103.07 112.48 1ifj h GLY 23 Ca 0.26 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1ifj h GLY 23 CO -0.03 0.31 -0.33 -0.97 0.00 0.00 0.00 176.54 175.53 1ifj h TYR 24 N 0.82 0.42 -0.42 5.60 0.05 -0.92 -2.26 116.97 120.27 1ifj h TYR 24 Ca 0.22 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 1ifj h TYR 24 Cb -0.09 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 1ifj h TYR 24 CO 0.00 0.66 -0.04 0.00 -1.05 0.00 0.00 178.16 177.73 1ifj h ALA 25 N 1.33 0.57 -0.64 3.88 0.00 -0.16 -1.38 119.26 122.86 1ifj h ALA 25 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ifj h ALA 25 Cb 0.74 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1ifj h ALA 25 CO 0.06 0.39 0.41 -1.49 0.00 0.00 0.00 179.25 178.62 1ifj h TRP 26 N 0.59 0.81 -0.14 0.00 6.55 -1.19 -0.65 115.95 121.92 1ifj h TRP 26 Ca 0.11 0.01 -0.11 0.00 0.95 0.00 0.00 58.89 59.86 1ifj h TRP 26 Cb 0.54 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.56 1ifj h TRP 26 CO 0.04 0.52 -0.39 0.00 -1.05 0.00 0.00 178.44 177.57 1ifj h ALA 27 N 1.22 1.08 -0.32 1.49 0.00 -1.28 0.28 119.26 121.73 1ifj h ALA 27 Ca 0.23 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1ifj h ALA 27 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ifj h ALA 27 CO -0.05 0.59 -0.13 1.98 0.00 0.00 0.00 179.25 181.64 1ifj h MET 28 N 0.26 0.65 0.00 0.00 1.85 -0.01 0.36 114.93 118.04 1ifj h MET 28 Ca 0.03 -0.27 -0.06 0.00 -0.61 0.00 0.00 59.70 58.79 1ifj h MET 28 Cb 0.81 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.80 1ifj h MET 28 CO 0.06 0.86 -0.28 0.28 -0.40 0.00 0.00 176.91 177.43 1ifj h VAL 29 N 0.42 0.69 -0.83 -5.77 2.07 -0.92 -1.92 116.25 109.99 1ifj h VAL 29 Ca 0.07 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1ifj h VAL 29 Cb 0.65 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1ifj h VAL 29 CO 0.04 0.27 0.49 0.58 0.02 0.00 0.00 177.57 178.97 1ifj h VAL 30 N 0.00 1.24 -0.25 2.57 2.07 0.11 0.11 116.25 122.10 1ifj h VAL 30 Ca -0.00 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1ifj h VAL 30 Cb 0.78 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1ifj h VAL 30 CO 0.04 0.25 -0.12 0.58 0.02 0.00 0.00 177.57 178.34 1ifj h VAL 31 N 1.16 1.30 -0.64 2.57 2.07 -0.73 -0.74 116.25 121.23 1ifj h VAL 31 Ca 0.30 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 1ifj h VAL 31 Cb -0.02 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1ifj h VAL 31 CO -0.05 0.37 0.15 0.40 0.02 0.00 0.00 177.57 178.46 1ifj h ILE 32 N 0.25 1.25 0.04 4.57 2.04 -0.45 -1.14 117.51 124.07 1ifj h ILE 32 Ca 0.06 -0.91 -0.22 0.00 1.00 0.00 0.00 64.86 64.78 1ifj h ILE 32 Cb 0.62 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1ifj h ILE 32 CO 0.04 0.35 -1.04 0.58 0.00 0.00 0.00 178.15 178.07 1ifj h VAL 33 N 0.96 1.61 -0.87 1.67 2.07 -0.84 -1.83 116.25 119.02 1ifj h VAL 33 Ca 0.20 -3.15 0.00 0.00 0.82 0.00 0.00 66.70 64.58 1ifj h VAL 33 Cb 0.34 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.86 1ifj h VAL 33 CO 0.00 0.91 0.56 1.23 0.02 0.00 0.00 177.57 180.29 1ifj h GLY 34 N 2.35 1.23 0.98 2.17 0.00 -0.48 0.67 103.07 109.98 1ifj h GLY 34 Ca -0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1ifj h GLY 34 CO 0.15 0.46 0.26 0.00 0.00 0.00 0.00 176.54 177.42 1ifj h ALA 35 N 1.43 0.66 -0.02 3.60 0.00 -1.01 -2.51 119.26 121.40 1ifj h ALA 35 Ca 0.32 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1ifj h ALA 35 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1ifj h ALA 35 CO -0.07 0.20 -0.59 1.15 0.00 0.00 0.00 179.25 179.94 1ifj h THR 36 N 0.68 1.41 -0.20 0.00 2.02 -0.11 -1.92 112.91 114.79 1ifj h THR 36 Ca 0.18 -2.01 -0.21 0.00 0.77 0.00 0.00 66.41 65.14 1ifj h THR 36 Cb 0.09 2.06 0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1ifj h THR 36 CO -0.02 0.58 -0.70 0.40 0.37 0.00 0.00 175.52 176.15 1ifj h ILE 37 N 0.06 1.28 -0.03 3.11 2.04 -0.73 -1.07 117.51 122.17 1ifj h ILE 37 Ca -0.01 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 63.96 1ifj h ILE 37 Cb 1.07 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1ifj h ILE 37 CO 0.08 0.60 -0.00 1.23 0.00 0.00 0.00 178.15 180.06 1ifj h GLY 38 N 0.58 0.07 1.33 5.37 0.00 -1.43 -0.47 103.07 108.52 1ifj h GLY 38 Ca -0.03 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1ifj h GLY 38 CO 0.15 0.05 0.01 -2.22 0.00 0.00 0.00 176.54 174.53 1ifj h ILE 39 N -0.26 1.24 0.00 2.60 2.04 -1.36 -1.29 117.51 120.49 1ifj h ILE 39 Ca 0.01 -1.00 -0.13 0.00 1.00 0.00 0.00 64.86 64.74 1ifj h ILE 39 Cb 0.36 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1ifj h ILE 39 CO 0.00 0.35 -0.61 0.11 0.00 0.00 0.00 178.15 178.00 1ifj h LYS 40 N 0.76 0.00 -0.40 2.37 1.79 -1.14 -2.51 116.57 117.43 1ifj h LYS 40 Ca 0.15 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 1ifj h LYS 40 Cb 0.45 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1ifj h LYS 40 CO 0.02 0.61 0.18 -0.07 -1.08 0.00 0.00 179.45 179.12 1ifj h LEU 41 N 0.00 0.50 -0.56 2.94 3.38 0.06 -1.63 115.31 120.01 1ifj h LEU 41 Ca -0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1ifj h LEU 41 Cb 1.15 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1ifj h LEU 41 CO 0.08 0.44 0.17 -0.26 0.09 0.00 0.00 178.44 178.96 1ifj h PHE 42 N 0.56 0.91 -0.29 1.13 -1.00 -0.98 -1.59 116.94 115.68 1ifj h PHE 42 Ca 0.14 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 1ifj h PHE 42 Cb 0.08 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 1ifj h PHE 42 CO 0.00 0.77 0.07 0.87 -1.61 0.00 0.00 178.31 178.42 1ifj h LYS 43 N 0.78 0.41 -0.54 1.51 1.79 -1.14 -2.30 116.57 117.09 1ifj h LYS 43 Ca 0.18 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 1ifj h LYS 43 Cb 0.29 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1ifj h LYS 43 CO -0.00 0.38 0.18 0.87 -1.08 0.00 0.00 179.45 179.80 1ifj h LYS 44 N 0.41 0.83 -0.98 3.15 1.79 -0.37 -2.02 116.57 119.37 1ifj h LYS 44 Ca 0.10 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1ifj h LYS 44 Cb 0.16 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.63 1ifj h LYS 44 CO -0.00 0.75 0.63 0.74 -1.08 0.00 0.00 179.45 180.49 1ifj h PHE 45 N 0.74 1.26 -0.99 -1.35 -1.00 -1.07 -1.83 116.94 112.70 1ifj h PHE 45 Ca 0.18 0.02 0.15 0.00 2.81 0.00 0.00 57.97 61.13 1ifj h PHE 45 Cb 0.26 -0.42 -0.09 0.00 3.61 0.00 0.00 35.95 39.30 1ifj h PHE 45 CO 0.01 0.81 0.62 1.15 -1.61 0.00 0.00 178.31 179.29 1ifj h THR 46 N 1.34 0.82 -0.27 -1.55 2.02 -0.82 0.06 112.91 114.51 1ifj h THR 46 Ca 0.36 -0.30 -0.18 0.00 0.77 0.00 0.00 66.41 67.06 1ifj h THR 46 Cb -0.12 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.17 1ifj h THR 46 CO -0.07 0.16 -0.55 0.28 0.37 0.00 0.00 175.52 175.71 1ifj h SER 47 N 0.86 0.91 -0.37 4.18 0.02 -0.98 -1.87 113.55 116.31 1ifj h SER 47 Ca 0.52 -0.49 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 1ifj h SER 47 Cb 0.69 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1ifj h SER 47 CO -0.30 1.27 -0.06 0.11 -1.14 0.00 0.00 176.83 176.71 1ifj h LYS 48 N 0.63 0.78 -0.44 3.45 1.79 -0.36 -2.10 116.57 120.33 1ifj h LYS 48 Ca 0.01 -0.24 -0.10 0.00 -2.18 0.00 0.00 60.65 58.15 1ifj h LYS 48 Cb 1.14 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 1ifj h LYS 48 CO 0.12 0.83 -0.14 0.00 -1.08 0.00 0.00 179.45 179.17 1ifj h ALA 49 N 1.21 0.93 0.00 3.86 0.00 -1.23 -3.52 119.26 120.51 1ifj h ALA 49 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ifj h ALA 49 Cb 0.52 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ifj h ALA 49 CO 0.03 0.62 0.00 0.43 0.00 0.00 0.00 179.25 180.33