#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifp h GLN 2 N 0.00 0.51 -0.82 0.03 1.08 -2.05 -2.25 115.11 111.61 1ifp h GLN 2 Ca 0.00 -0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.28 1ifp h GLN 2 Cb 0.00 -0.12 -0.13 0.00 -0.05 0.00 0.00 27.48 27.19 1ifp h GLN 2 CO 0.00 0.34 -0.45 0.77 -0.95 0.00 0.00 178.83 178.54 1ifp h SER 3 N 0.53 -1.62 0.23 1.46 0.02 -2.03 0.13 113.55 112.27 1ifp h SER 3 Ca 0.25 0.29 0.01 0.00 -0.84 0.00 0.00 61.79 61.50 1ifp h SER 3 Cb 0.31 0.77 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 1ifp h SER 3 CO -0.07 -0.30 -0.40 0.58 -1.14 0.00 0.00 176.83 175.51 1ifp h VAL 4 N -0.10 0.19 0.23 2.27 2.07 -1.82 -2.70 116.25 116.40 1ifp h VAL 4 Ca 0.23 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 1ifp h VAL 4 Cb 0.54 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1ifp h VAL 4 CO -0.85 0.00 -0.13 0.40 0.02 0.00 0.00 177.57 177.02 1ifp h ILE 5 N -0.70 0.00 -0.55 4.57 1.08 -0.80 0.24 117.51 121.35 1ifp h ILE 5 Ca 0.00 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.63 1ifp h ILE 5 Cb 0.68 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 1ifp h ILE 5 CO -0.16 0.00 0.42 0.74 -0.69 0.00 0.00 178.15 178.46 1ifp h THR 6 N -0.33 0.64 0.00 -0.27 2.02 -1.40 0.15 112.91 113.73 1ifp h THR 6 Ca -0.03 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 1ifp h THR 6 Cb 0.26 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1ifp h THR 6 CO 0.04 0.00 -0.80 0.44 0.37 0.00 0.00 175.52 175.58 1ifp h ASP 7 N 0.00 0.00 0.83 4.18 3.32 -1.23 -1.72 116.42 121.80 1ifp h ASP 7 Ca 0.26 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.11 1ifp h ASP 7 Cb 1.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 1ifp h ASP 7 CO -0.00 0.31 -0.95 0.58 -1.72 0.00 0.00 179.24 177.46 1ifp h VAL 8 N 0.00 1.62 -0.14 -1.35 2.07 0.22 -3.30 116.25 115.37 1ifp h VAL 8 Ca -0.05 -3.06 -0.04 0.00 0.82 0.00 0.00 66.70 64.38 1ifp h VAL 8 Cb 1.27 2.69 -0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1ifp h VAL 8 CO 0.03 0.88 -0.05 0.74 0.02 0.00 0.00 177.57 179.18 1ifp h THR 9 N 0.03 1.31 -0.85 2.57 2.02 -1.13 -1.65 112.91 115.20 1ifp h THR 9 Ca -0.03 -1.06 0.25 0.00 0.77 0.00 0.00 66.41 66.34 1ifp h THR 9 Cb 1.64 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.74 1ifp h THR 9 CO 0.13 0.31 0.74 1.23 0.37 0.00 0.00 175.52 178.30 1ifp h GLY 10 N -0.05 0.00 0.06 2.16 0.00 -1.39 -0.46 103.07 103.39 1ifp h GLY 10 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.11 1ifp h GLY 10 CO 0.02 0.00 -1.37 -1.06 0.00 0.00 0.00 176.54 174.13 1ifp n GLN 11 N -3.88 0.58 -0.26 4.80 1.13 -1.16 -3.62 117.38 114.98 1ifp n GLN 11 Ca 0.18 0.54 0.28 0.00 -1.94 0.00 0.00 57.00 56.06 1ifp n GLN 11 Cb 1.03 -1.74 0.66 0.00 0.11 0.00 0.00 30.24 30.31 1ifp n GLN 11 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1ifp h LEU 12 N -0.90 0.14 0.00 1.08 3.38 -0.12 0.19 115.31 119.08 1ifp h LEU 12 Ca -0.37 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1ifp h LEU 12 Cb 1.38 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1ifp h LEU 12 CO -0.19 0.04 -0.14 0.74 0.09 0.00 0.00 178.44 178.97 1ifp h THR 13 N 0.13 1.01 -1.04 0.22 2.02 -1.55 -3.24 112.91 110.47 1ifp h THR 13 Ca 0.51 -1.81 0.27 0.00 0.77 0.00 0.00 66.41 66.15 1ifp h THR 13 Cb 1.78 1.96 -0.10 0.00 -1.74 0.00 0.00 68.15 70.05 1ifp h THR 13 CO -0.09 0.34 0.66 0.00 0.37 0.00 0.00 175.52 176.81 1ifp h ALA 14 N -0.44 2.18 0.00 6.16 0.00 -1.13 0.28 119.26 126.31 1ifp h ALA 14 Ca -0.03 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1ifp h ALA 14 Cb 0.67 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1ifp h ALA 14 CO -0.02 -0.60 -0.64 0.28 0.00 0.00 0.00 179.25 178.27 1ifp h VAL 15 N 0.42 1.28 0.11 0.00 2.07 -0.86 -3.32 116.25 115.95 1ifp h VAL 15 Ca 0.61 -2.35 0.02 0.00 0.82 0.00 0.00 66.70 65.80 1ifp h VAL 15 Cb 1.49 2.33 -0.05 0.00 -1.52 0.00 0.00 31.29 33.54 1ifp h VAL 15 CO -0.33 0.63 -0.45 1.56 0.02 0.00 0.00 177.57 179.01 1ifp h GLN 16 N 0.00 -0.64 -0.91 1.57 4.20 -0.46 -0.65 115.11 118.22 1ifp h GLN 16 Ca -0.01 0.04 0.24 0.00 0.06 0.00 0.00 58.65 58.99 1ifp h GLN 16 Cb 1.28 0.15 -0.14 0.00 0.30 0.00 0.00 27.48 29.07 1ifp h GLN 16 CO 0.08 -0.43 0.35 0.00 -0.67 0.00 0.00 178.83 178.17 1ifp h ALA 17 N -0.24 1.45 -0.12 3.87 0.00 -1.65 0.51 119.26 123.08 1ifp h ALA 17 Ca 0.02 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ifp h ALA 17 Cb 0.70 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1ifp h ALA 17 CO -0.26 -0.43 0.06 -0.44 0.00 0.00 0.00 179.25 178.17 1ifp h ASP 18 N 0.30 0.15 0.52 0.00 3.32 -1.25 0.14 116.42 119.60 1ifp h ASP 18 Ca 0.58 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.52 1ifp h ASP 18 Cb 1.18 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1ifp h ASP 18 CO -0.60 0.21 -0.45 0.40 -1.72 0.00 0.00 179.24 177.09 1ifp h ILE 19 N 0.08 0.11 -0.88 0.35 2.04 0.77 -1.65 117.51 118.33 1ifp h ILE 19 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.96 1ifp h ILE 19 Cb 0.09 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.23 1ifp h ILE 19 CO -0.01 0.00 0.57 0.74 0.00 0.00 0.00 178.15 179.46 1ifp h THR 20 N -0.96 1.06 -0.43 -0.27 2.02 -0.79 0.22 112.91 113.77 1ifp h THR 20 Ca -0.06 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 1ifp h THR 20 Cb 0.82 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1ifp h THR 20 CO -0.02 0.18 0.04 0.74 0.37 0.00 0.00 175.52 176.83 1ifp h THR 21 N 0.99 1.22 -0.10 3.16 2.02 -0.54 -2.08 112.91 117.58 1ifp h THR 21 Ca 0.38 -0.85 -0.18 0.00 0.77 0.00 0.00 66.41 66.52 1ifp h THR 21 Cb 0.20 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1ifp h THR 21 CO -0.14 0.30 -0.70 0.40 0.37 0.00 0.00 175.52 175.76 1ifp h ILE 22 N 0.65 1.36 -0.15 3.11 1.08 -0.05 -3.16 117.51 120.36 1ifp h ILE 22 Ca 0.14 -2.05 -0.00 0.00 -0.39 0.00 0.00 64.86 62.55 1ifp h ILE 22 Cb 0.35 2.03 -0.01 0.00 -3.07 0.00 0.00 36.82 36.13 1ifp h ILE 22 CO 0.01 0.62 0.08 1.23 -0.69 0.00 0.00 178.15 179.40 1ifp h GLY 23 N 1.18 0.22 0.16 5.37 0.00 -0.65 -2.55 103.07 106.80 1ifp h GLY 23 Ca -0.02 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.28 1ifp h GLY 23 CO 0.12 0.10 -0.17 -1.33 0.00 0.00 0.00 176.54 175.26 1ifp h GLY 24 N 0.14 0.08 0.08 4.60 0.00 -1.45 -0.85 103.07 105.66 1ifp h GLY 24 Ca 0.05 0.22 0.15 0.00 0.00 0.00 0.00 47.33 47.75 1ifp h GLY 24 CO -0.01 -0.18 0.30 0.00 0.00 0.00 0.00 176.54 176.65 1ifp h ALA 25 N 1.12 1.10 -0.25 3.60 0.00 -1.47 -1.04 119.26 122.31 1ifp h ALA 25 Ca 0.17 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1ifp h ALA 25 Cb 0.38 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ifp h ALA 25 CO -0.41 -0.24 -0.01 0.82 0.00 0.00 0.00 179.25 179.41 1ifp h ILE 26 N 0.42 1.26 -0.82 0.00 2.04 -0.85 -3.18 117.51 116.39 1ifp h ILE 26 Ca 0.43 -0.95 0.15 0.00 1.00 0.00 0.00 64.86 65.50 1ifp h ILE 26 Cb 0.69 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 1ifp h ILE 26 CO -0.43 0.30 0.54 0.40 0.00 0.00 0.00 178.15 178.96 1ifp h ILE 27 N 0.23 0.80 -0.09 -0.67 2.04 0.13 0.11 117.51 120.05 1ifp h ILE 27 Ca 0.07 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1ifp h ILE 27 Cb 0.44 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1ifp h ILE 27 CO 0.02 0.09 0.18 0.58 0.00 0.00 0.00 178.15 179.02 1ifp h VAL 28 N 0.51 0.24 -0.06 1.67 2.07 -1.46 0.42 116.25 119.65 1ifp h VAL 28 Ca 0.41 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.71 1ifp h VAL 28 Cb 0.83 0.84 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1ifp h VAL 28 CO -0.15 0.00 -0.86 -0.07 0.02 0.00 0.00 177.57 176.50 1ifp h LEU 29 N 0.00 0.67 0.05 2.57 -0.00 -0.93 -2.09 115.31 115.58 1ifp h LEU 29 Ca 0.04 -0.49 -0.00 0.00 -0.00 0.00 0.00 57.88 57.43 1ifp h LEU 29 Cb 0.41 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1ifp h LEU 29 CO -0.00 1.27 -0.03 0.00 -0.00 0.00 0.00 178.44 179.69 1ifp h ALA 30 N 0.70 -0.07 -1.03 1.53 0.00 -0.25 0.17 119.26 120.32 1ifp h ALA 30 Ca -0.07 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 54.95 1ifp h ALA 30 Cb 1.48 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 1ifp h ALA 30 CO 0.16 -0.38 0.69 0.00 0.00 0.00 0.00 179.25 179.72 1ifp h ALA 31 N 0.53 2.48 0.00 0.00 0.00 -1.15 0.33 119.26 121.44 1ifp h ALA 31 Ca -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ifp h ALA 31 Cb 0.36 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ifp h ALA 31 CO 0.01 -0.83 -0.86 0.28 0.00 0.00 0.00 179.25 177.85 1ifp h VAL 32 N 0.27 0.15 -0.24 0.00 2.07 -0.93 -3.08 116.25 114.48 1ifp h VAL 32 Ca 0.55 -1.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.70 1ifp h VAL 32 Cb 1.62 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 1ifp h VAL 32 CO -0.18 0.08 -0.31 0.58 0.02 0.00 0.00 177.57 177.76 1ifp h VAL 33 N 0.00 1.28 0.00 2.57 2.07 0.27 -1.35 116.25 121.09 1ifp h VAL 33 Ca -0.03 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1ifp h VAL 33 Cb 1.13 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1ifp h VAL 33 CO 0.01 0.44 0.00 0.18 0.02 0.00 0.00 177.57 178.22 1ifp n LEU 34 N -4.08 0.09 0.01 2.57 4.77 -0.84 -1.41 117.00 118.10 1ifp n LEU 34 Ca -0.01 0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 56.47 1ifp n LEU 34 Cb 0.45 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1ifp n LEU 34 CO 0.43 -0.08 0.05 1.23 -1.33 0.00 0.00 177.39 177.69 1ifp h GLY 35 N 4.36 -0.12 1.53 -0.72 0.00 -1.18 -3.23 103.07 103.72 1ifp h GLY 35 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.42 1ifp h GLY 35 CO 0.00 -0.04 0.21 -2.22 0.00 0.00 0.00 176.54 174.49 1ifp h ILE 36 N -0.84 0.96 0.00 2.60 2.04 -1.30 -3.21 117.51 117.76 1ifp h ILE 36 Ca -0.01 -0.08 -0.29 0.00 1.00 0.00 0.00 64.86 65.48 1ifp h ILE 36 Cb 0.09 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1ifp h ILE 36 CO 0.02 0.04 -1.80 0.54 0.00 0.00 0.00 178.15 176.95 1ifp n ARG 37 N -4.48 0.64 0.11 2.37 1.74 -0.50 -4.10 116.66 112.44 1ifp n ARG 37 Ca 0.03 0.23 0.02 0.00 -0.77 0.00 0.00 57.85 57.36 1ifp n ARG 37 Cb 0.22 -1.75 0.36 0.00 -1.02 0.00 0.00 32.46 30.27 1ifp n ARG 37 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1ifp h TRP 38 N 0.00 0.26 -0.37 -1.55 -0.00 -1.56 -3.10 115.95 109.62 1ifp h TRP 38 Ca -0.32 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 58.51 1ifp h TRP 38 Cb 2.01 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.16 31.08 1ifp h TRP 38 CO 0.00 0.42 0.13 0.82 -0.00 0.00 0.00 178.44 179.81 1ifp h ILE 39 N 0.23 1.20 -0.15 1.49 2.04 -1.73 -3.21 117.51 117.37 1ifp h ILE 39 Ca 0.04 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.30 1ifp h ILE 39 Cb 0.46 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1ifp h ILE 39 CO 0.03 0.23 -0.09 0.11 0.00 0.00 0.00 178.15 178.42 1ifp h LYS 40 N 0.46 -0.08 -0.74 2.37 1.57 -1.69 -2.41 116.57 116.05 1ifp h LYS 40 Ca 0.12 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.06 1ifp h LYS 40 Cb 0.22 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 32.41 1ifp h LYS 40 CO -0.01 -0.06 -0.14 0.00 -0.57 0.00 0.00 179.45 178.67 1ifp h ALA 41 N 1.04 0.55 -1.06 3.86 0.00 -1.62 -2.21 119.26 119.82 1ifp h ALA 41 Ca 0.09 0.28 0.31 0.00 0.00 0.00 0.00 54.91 55.58 1ifp h ALA 41 Cb 0.22 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1ifp h ALA 41 CO -0.21 -0.42 0.80 1.96 0.00 0.00 0.00 179.25 181.38 1ifp h GLN 42 N 0.02 0.00 0.19 0.00 1.08 -1.43 -1.69 115.11 113.27 1ifp h GLN 42 Ca 0.37 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.56 1ifp h GLN 42 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1ifp h GLN 42 CO -0.74 0.00 -0.09 0.74 -0.95 0.00 0.00 178.83 177.79 1ifp h PHE 43 N 0.00 -0.23 0.00 2.96 -1.00 -1.53 -3.53 116.94 113.61 1ifp h PHE 43 Ca 0.50 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.28 1ifp h PHE 43 Cb 2.09 0.08 0.00 0.00 3.61 0.00 0.00 35.95 41.73 1ifp h PHE 43 CO 0.00 0.17 0.00 1.19 -1.61 0.00 0.00 178.31 178.06