#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifi h GLU 2 N 0.00 0.79 -0.11 0.00 5.08 -2.08 -2.11 114.58 116.15 1ifi h GLU 2 Ca 0.00 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1ifi h GLU 2 Cb 0.00 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1ifi h GLU 2 CO 0.00 0.52 -0.23 0.78 -1.00 0.00 0.00 179.01 179.09 1ifi h GLY 3 N 0.82 0.39 2.00 -3.84 0.00 -2.07 -3.23 103.07 97.13 1ifi h GLY 3 Ca 0.29 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1ifi h GLY 3 CO -0.13 0.41 -0.05 1.29 0.00 0.00 0.00 176.54 178.06 1ifi h ASP 4 N -0.08 0.00 -0.17 0.19 3.04 -1.99 -3.33 116.42 114.09 1ifi h ASP 4 Ca 0.00 0.00 0.04 0.00 -3.24 0.00 0.00 57.03 53.83 1ifi h ASP 4 Cb 0.82 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.06 1ifi h ASP 4 CO 0.05 0.05 -0.09 0.44 -2.04 0.00 0.00 179.24 177.65 1ifi h ASP 5 N 0.00 -0.30 -0.41 4.15 3.32 -1.40 -0.05 116.42 121.74 1ifi h ASP 5 Ca -0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1ifi h ASP 5 Cb 0.54 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1ifi h ASP 5 CO 0.01 -0.12 0.26 -0.65 -1.72 0.00 0.00 179.24 177.02 1ifi h PRO 6 N -0.08 0.55 -0.45 3.56 0.11 -1.77 -1.51 132.00 132.42 1ifi h PRO 6 Ca 0.10 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.07 1ifi h PRO 6 Cb 0.22 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1ifi h PRO 6 CO -0.22 0.37 -0.11 0.00 -0.21 0.00 0.00 178.00 177.84 1ifi h ALA 7 N 1.73 0.61 -0.59 -0.75 0.00 -1.61 -1.43 119.26 117.22 1ifi h ALA 7 Ca 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ifi h ALA 7 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1ifi h ALA 7 CO -0.03 0.50 0.33 0.87 0.00 0.00 0.00 179.25 180.92 1ifi h LYS 8 N 0.69 0.83 -0.56 0.00 1.57 -0.01 -1.26 116.57 117.83 1ifi h LYS 8 Ca 0.11 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1ifi h LYS 8 Cb 0.65 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1ifi h LYS 8 CO 0.04 0.63 -0.07 0.00 -0.57 0.00 0.00 179.45 179.48 1ifi h ALA 9 N 1.15 0.82 -0.95 3.86 0.00 -1.35 -1.51 119.26 121.28 1ifi h ALA 9 Ca 0.21 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ifi h ALA 9 Cb 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1ifi h ALA 9 CO -0.03 0.66 0.58 0.00 0.00 0.00 0.00 179.25 180.46 1ifi h ALA 10 N 0.99 1.22 -0.49 0.00 0.00 -0.92 -1.21 119.26 118.85 1ifi h ALA 10 Ca 0.15 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1ifi h ALA 10 Cb 0.63 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ifi h ALA 10 CO 0.04 0.67 -0.03 0.74 0.00 0.00 0.00 179.25 180.67 1ifi h PHE 11 N 1.31 0.90 -0.81 0.00 0.04 -0.94 -1.26 116.94 116.18 1ifi h PHE 11 Ca 0.34 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 1ifi h PHE 11 Cb -0.06 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 37.81 1ifi h PHE 11 CO 0.00 0.84 0.46 -0.44 -0.60 0.00 0.00 178.31 178.57 1ifi h ASP 12 N 0.77 1.00 -0.40 2.17 3.32 -0.21 -0.94 116.42 122.14 1ifi h ASP 12 Ca 0.14 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1ifi h ASP 12 Cb 0.51 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1ifi h ASP 12 CO 0.03 0.80 0.10 0.28 -1.72 0.00 0.00 179.24 178.73 1ifi h SER 13 N 1.12 0.60 -0.52 6.45 0.02 -0.96 -1.77 113.55 118.48 1ifi h SER 13 Ca 0.29 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1ifi h SER 13 Cb 0.01 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1ifi h SER 13 CO -0.05 0.67 0.10 -0.07 -1.14 0.00 0.00 176.83 176.34 1ifi h LEU 14 N 0.50 0.86 -0.49 5.07 3.38 -0.99 -1.69 115.31 121.95 1ifi h LEU 14 Ca 0.13 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1ifi h LEU 14 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ifi h LEU 14 CO 0.00 0.87 -0.03 -0.61 0.09 0.00 0.00 178.44 178.76 1ifi h GLN 15 N 0.87 0.89 -0.77 1.13 4.15 -0.93 -1.21 115.11 119.24 1ifi h GLN 15 Ca 0.18 -0.30 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 1ifi h GLN 15 Cb 0.37 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1ifi h GLN 15 CO 0.01 0.94 0.30 0.00 -1.93 0.00 0.00 178.83 178.15 1ifi h ALA 16 N 0.92 1.00 -0.80 3.38 0.00 -1.03 -1.37 119.26 121.35 1ifi h ALA 16 Ca 0.14 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ifi h ALA 16 Cb 0.56 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1ifi h ALA 16 CO 0.03 0.63 0.52 0.77 0.00 0.00 0.00 179.25 181.20 1ifi h SER 17 N 1.11 0.90 -0.60 0.00 0.02 -1.02 0.61 113.55 114.57 1ifi h SER 17 Ca 0.26 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1ifi h SER 17 Cb 0.22 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1ifi h SER 17 CO -0.02 0.64 0.37 0.00 -1.14 0.00 0.00 176.83 176.68 1ifi h ALA 18 N 1.30 1.51 -0.37 3.77 0.00 -0.68 -0.88 119.26 123.91 1ifi h ALA 18 Ca 0.30 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1ifi h ALA 18 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1ifi h ALA 18 CO -0.08 0.43 -0.07 1.15 0.00 0.00 0.00 179.25 180.69 1ifi h THR 19 N 0.83 1.23 -0.07 0.00 2.02 0.20 -1.75 112.91 115.38 1ifi h THR 19 Ca 0.22 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1ifi h THR 19 Cb -0.04 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1ifi h THR 19 CO -0.04 0.34 0.01 -0.33 0.37 0.00 0.00 175.52 175.86 1ifi h GLU 20 N 0.58 0.12 -0.91 6.66 5.08 -0.41 -1.68 114.58 124.02 1ifi h GLU 20 Ca 0.11 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1ifi h GLU 20 Cb 0.47 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1ifi h GLU 20 CO 0.02 0.36 0.58 1.88 -1.00 0.00 0.00 179.01 180.86 1ifi h TYR 21 N -0.13 1.08 -0.86 4.33 0.05 -1.25 -0.91 116.97 119.27 1ifi h TYR 21 Ca 0.02 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1ifi h TYR 21 Cb 0.30 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 37.65 1ifi h TYR 21 CO 0.02 0.58 0.45 0.82 -1.05 0.00 0.00 178.16 178.98 1ifi h ILE 22 N 1.09 1.26 -0.86 -2.88 2.04 -1.18 -1.52 117.51 115.45 1ifi h ILE 22 Ca 0.38 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1ifi h ILE 22 Cb 0.11 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 1ifi h ILE 22 CO -0.15 0.30 0.56 1.23 0.00 0.00 0.00 178.15 180.09 1ifi h GLY 23 N 1.22 1.21 1.44 5.37 0.00 -0.21 -1.37 103.07 110.74 1ifi h GLY 23 Ca 0.30 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1ifi h GLY 23 CO -0.04 0.45 0.12 -0.97 0.00 0.00 0.00 176.54 176.10 1ifi h TYR 24 N 1.17 0.72 -0.47 5.60 0.05 -0.85 -1.80 116.97 121.38 1ifi h TYR 24 Ca 0.31 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 59.00 1ifi h TYR 24 Cb -0.13 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.38 1ifi h TYR 24 CO -0.01 0.61 0.15 0.00 -1.05 0.00 0.00 178.16 177.86 1ifi h ALA 25 N 1.45 0.61 -0.62 3.88 0.00 -0.27 -1.04 119.26 123.27 1ifi h ALA 25 Ca 0.16 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ifi h ALA 25 Cb 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1ifi h ALA 25 CO -0.00 0.26 0.37 -1.49 0.00 0.00 0.00 179.25 178.39 1ifi h TRP 26 N 0.62 0.69 -0.51 0.00 6.55 -0.93 -1.86 115.95 120.50 1ifi h TRP 26 Ca 0.15 0.02 -0.12 0.00 0.95 0.00 0.00 58.89 59.90 1ifi h TRP 26 Cb 0.26 -0.22 -0.02 0.00 -0.86 0.00 0.00 29.16 28.32 1ifi h TRP 26 CO 0.01 0.38 -0.14 0.00 -1.05 0.00 0.00 178.44 177.65 1ifi h ALA 27 N 1.28 0.79 -0.31 1.49 0.00 -1.04 -1.14 119.26 120.33 1ifi h ALA 27 Ca 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ifi h ALA 27 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ifi h ALA 27 CO -0.12 0.66 0.17 1.98 0.00 0.00 0.00 179.25 181.94 1ifi h MET 28 N 0.87 0.44 0.00 0.00 1.85 -0.68 0.14 114.93 117.56 1ifi h MET 28 Ca 0.13 -0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 59.12 1ifi h MET 28 Cb 0.69 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.63 1ifi h MET 28 CO 0.05 0.39 -0.23 0.28 -0.40 0.00 0.00 176.91 177.00 1ifi h VAL 29 N 0.38 0.84 -0.92 -5.77 2.07 -1.30 -1.77 116.25 109.78 1ifi h VAL 29 Ca 0.11 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1ifi h VAL 29 Cb 0.08 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1ifi h VAL 29 CO -0.02 0.22 0.56 0.58 0.02 0.00 0.00 177.57 178.94 1ifi h VAL 30 N 0.00 1.25 -0.25 2.57 2.07 0.57 -0.26 116.25 122.21 1ifi h VAL 30 Ca -0.00 -0.54 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 1ifi h VAL 30 Cb 0.51 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1ifi h VAL 30 CO 0.03 0.26 -0.25 0.58 0.02 0.00 0.00 177.57 178.22 1ifi h VAL 31 N 1.27 1.31 -0.47 2.57 2.07 -0.53 -1.16 116.25 121.32 1ifi h VAL 31 Ca 0.33 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1ifi h VAL 31 Cb -0.06 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1ifi h VAL 31 CO -0.06 0.44 0.14 0.40 0.02 0.00 0.00 177.57 178.51 1ifi h ILE 32 N 0.31 1.23 -0.12 4.57 2.04 -1.05 -1.46 117.51 123.03 1ifi h ILE 32 Ca 0.04 -0.77 -0.14 0.00 1.00 0.00 0.00 64.86 64.99 1ifi h ILE 32 Cb 0.80 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1ifi h ILE 32 CO 0.06 0.28 -0.53 0.58 0.00 0.00 0.00 178.15 178.54 1ifi h VAL 33 N 0.63 1.35 -0.91 1.67 2.07 -1.11 -1.46 116.25 118.49 1ifi h VAL 33 Ca 0.15 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 1ifi h VAL 33 Cb 0.29 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1ifi h VAL 33 CO -0.00 0.54 0.55 1.23 0.02 0.00 0.00 177.57 179.91 1ifi h GLY 34 N 1.29 1.33 0.99 2.17 0.00 -0.70 -0.56 103.07 107.58 1ifi h GLY 34 Ca 0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1ifi h GLY 34 CO 0.09 0.54 0.29 0.00 0.00 0.00 0.00 176.54 177.46 1ifi h ALA 35 N 1.30 0.69 -0.26 3.60 0.00 -1.00 -1.93 119.26 121.66 1ifi h ALA 35 Ca 0.33 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1ifi h ALA 35 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ifi h ALA 35 CO -0.06 0.21 -0.32 1.15 0.00 0.00 0.00 179.25 180.23 1ifi h THR 36 N 0.72 1.28 -0.38 0.00 2.02 -0.50 -1.76 112.91 114.30 1ifi h THR 36 Ca 0.19 -1.42 -0.07 0.00 0.77 0.00 0.00 66.41 65.87 1ifi h THR 36 Cb 0.05 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1ifi h THR 36 CO -0.03 0.45 -0.05 0.40 0.37 0.00 0.00 175.52 176.66 1ifi h ILE 37 N 0.47 1.27 -0.13 3.11 2.04 -0.82 -1.88 117.51 121.57 1ifi h ILE 37 Ca 0.06 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 1ifi h ILE 37 Cb 0.79 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1ifi h ILE 37 CO 0.06 0.36 -0.04 1.23 0.00 0.00 0.00 178.15 179.77 1ifi h GLY 38 N 0.52 0.28 1.00 5.37 0.00 -1.23 -1.73 103.07 107.28 1ifi h GLY 38 Ca 0.10 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1ifi h GLY 38 CO 0.03 0.22 0.14 -2.22 0.00 0.00 0.00 176.54 174.71 1ifi h ILE 39 N -0.06 1.24 -0.26 2.60 2.04 -1.37 -1.06 117.51 120.64 1ifi h ILE 39 Ca 0.03 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1ifi h ILE 39 Cb 0.48 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1ifi h ILE 39 CO 0.02 0.32 0.10 0.11 0.00 0.00 0.00 178.15 178.69 1ifi h LYS 40 N 0.78 0.36 -0.83 2.37 1.79 -1.37 -0.90 116.57 118.77 1ifi h LYS 40 Ca 0.17 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 1ifi h LYS 40 Cb 0.33 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.87 1ifi h LYS 40 CO 0.00 0.31 0.39 -0.07 -1.08 0.00 0.00 179.45 179.00 1ifi h LEU 41 N 0.36 1.09 -0.61 2.94 3.38 -0.27 -1.72 115.31 120.49 1ifi h LEU 41 Ca 0.09 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ifi h LEU 41 Cb 0.09 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1ifi h LEU 41 CO -0.01 0.93 0.38 -0.26 0.09 0.00 0.00 178.44 179.57 1ifi h PHE 42 N 1.18 0.72 -0.79 1.13 -1.00 -0.24 -1.48 116.94 116.45 1ifi h PHE 42 Ca 0.28 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.09 1ifi h PHE 42 Cb 0.13 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.41 1ifi h PHE 42 CO 0.01 0.42 0.50 0.87 -1.61 0.00 0.00 178.31 178.51 1ifi h LYS 43 N 0.76 1.06 -0.66 1.51 1.79 -1.20 -1.71 116.57 118.12 1ifi h LYS 43 Ca 0.24 -0.08 0.03 0.00 -2.18 0.00 0.00 60.65 58.66 1ifi h LYS 43 Cb -0.01 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 30.37 1ifi h LYS 43 CO -0.09 0.72 0.41 0.87 -1.08 0.00 0.00 179.45 180.28 1ifi h LYS 44 N 1.09 0.78 -0.85 3.15 1.79 -0.37 -1.29 116.57 120.86 1ifi h LYS 44 Ca 0.29 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.70 1ifi h LYS 44 Cb -0.09 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.35 1ifi h LYS 44 CO -0.06 0.52 0.47 0.74 -1.08 0.00 0.00 179.45 180.04 1ifi h PHE 45 N 0.80 1.16 -0.97 -1.35 -1.00 -0.58 -1.76 116.94 113.25 1ifi h PHE 45 Ca 0.27 -0.02 0.06 0.00 2.81 0.00 0.00 57.97 61.09 1ifi h PHE 45 Cb 0.02 -0.37 -0.06 0.00 3.61 0.00 0.00 35.95 39.14 1ifi h PHE 45 CO -0.05 0.80 0.63 1.15 -1.61 0.00 0.00 178.31 179.23 1ifi h THR 46 N 1.19 1.08 -0.55 -1.55 2.02 -0.41 -0.81 112.91 113.88 1ifi h THR 46 Ca 0.30 -0.38 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 1ifi h THR 46 Cb 0.02 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.27 1ifi h THR 46 CO -0.05 0.20 -0.04 0.28 0.37 0.00 0.00 175.52 176.29 1ifi h SER 47 N 1.12 0.98 -0.73 4.18 0.02 -0.71 -1.37 113.55 117.05 1ifi h SER 47 Ca 0.42 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1ifi h SER 47 Cb 0.18 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1ifi h SER 47 CO -0.16 1.07 0.25 0.11 -1.14 0.00 0.00 176.83 176.96 1ifi h LYS 48 N 0.87 1.13 -0.59 3.45 1.79 -0.35 -2.39 116.57 120.48 1ifi h LYS 48 Ca 0.15 -0.23 -0.10 0.00 -2.18 0.00 0.00 60.65 58.29 1ifi h LYS 48 Cb 0.59 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1ifi h LYS 48 CO 0.04 0.95 -0.02 0.00 -1.08 0.00 0.00 179.45 179.34 1ifi h ALA 49 N 1.18 0.85 0.00 3.86 0.00 -1.12 -3.52 119.26 120.51 1ifi h ALA 49 Ca 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ifi h ALA 49 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ifi h ALA 49 CO -0.01 0.66 0.00 0.43 0.00 0.00 0.00 179.25 180.33