#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y47 h TYR 2 N 0.00 -0.27 -0.94 2.11 0.05 -2.05 -2.66 116.97 113.21 1y47 h TYR 2 Ca 0.00 0.02 0.28 0.00 0.05 0.00 0.00 58.73 59.08 1y47 h TYR 2 Cb 0.00 0.14 -0.16 0.00 1.01 0.00 0.00 36.73 37.71 1y47 h TYR 2 CO 0.00 -0.16 0.20 -0.07 -1.05 0.00 0.00 178.16 177.08 1y47 h LEU 3 N -0.13 -0.14 -0.70 3.88 4.07 -2.00 0.27 115.31 120.56 1y47 h LEU 3 Ca 0.08 0.24 -0.08 0.00 0.08 0.00 0.00 57.88 58.20 1y47 h LEU 3 Cb 0.24 0.36 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 1y47 h LEU 3 CO -0.19 -0.28 0.11 0.03 -1.08 0.00 0.00 178.44 177.03 1y47 h ARG 4 N 0.09 1.10 0.00 1.13 -0.00 -1.91 0.20 114.38 115.00 1y47 h ARG 4 Ca 0.62 -0.29 0.00 0.00 -0.50 0.00 0.00 59.98 59.81 1y47 h ARG 4 Cb 1.35 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 31.19 1y47 h ARG 4 CO -0.78 1.01 -0.49 -1.91 0.00 0.00 0.00 179.97 177.80 1y47 n GLU 5 N -4.21 0.28 0.08 0.04 4.07 -0.27 -2.39 120.64 118.24 1y47 n GLU 5 Ca 0.04 0.12 -0.11 0.00 -0.06 0.00 0.00 57.16 57.15 1y47 n GLU 5 Cb 0.29 -1.71 -0.12 0.00 -0.06 0.00 0.00 31.44 29.84 1y47 n GLU 5 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1y47 h LEU 6 N 0.00 0.19 -0.14 4.31 -0.00 -0.22 -2.32 115.31 117.13 1y47 h LEU 6 Ca 0.00 -0.20 -0.04 0.00 -0.00 0.00 0.00 57.88 57.64 1y47 h LEU 6 Cb 0.74 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1y47 h LEU 6 CO 0.00 1.15 -0.07 0.22 -0.00 0.00 0.00 178.44 179.74 1y47 h TYR 7 N 0.04 0.34 -0.59 1.13 3.20 -0.56 -2.60 116.97 117.92 1y47 h TYR 7 Ca -0.06 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.65 1y47 h TYR 7 Cb 1.84 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 40.01 1y47 h TYR 7 CO 0.03 0.63 0.10 -0.22 -1.64 0.00 0.00 178.16 177.06 1y47 h LYS 8 N -0.05 0.94 -0.59 1.82 3.64 -1.52 -2.37 116.57 118.45 1y47 h LYS 8 Ca 0.03 -0.23 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1y47 h LYS 8 Cb 0.54 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 1y47 h LYS 8 CO 0.02 0.87 0.34 1.25 -2.27 0.00 0.00 179.45 179.66 1y47 h LEU 9 N 0.89 0.54 -1.61 5.20 6.46 -1.36 -0.37 115.31 125.06 1y47 h LEU 9 Ca 0.18 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1y47 h LEU 9 Cb 0.38 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1y47 h LEU 9 CO 0.01 0.37 0.24 -0.33 -0.62 0.00 0.00 178.44 178.10 1y47 h GLU 10 N 0.66 0.50 -0.29 1.25 4.39 -1.04 -0.94 114.58 119.11 1y47 h GLU 10 Ca 0.24 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.73 1y47 h GLU 10 Cb 0.07 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1y47 h GLU 10 CO -0.13 0.34 -0.53 1.96 -1.16 0.00 0.00 179.01 179.50 1y47 h GLN 11 N 0.51 0.86 -0.31 2.33 4.20 -0.66 -2.37 115.11 119.66 1y47 h GLN 11 Ca 0.14 -0.53 -0.17 0.00 0.06 0.00 0.00 58.65 58.15 1y47 h GLN 11 Cb -0.04 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1y47 h GLN 11 CO -0.03 1.17 -0.46 1.96 -0.67 0.00 0.00 178.83 180.79 1y47 h GLN 12 N 0.66 0.82 -0.75 1.46 1.08 -0.62 -2.13 115.11 115.62 1y47 h GLN 12 Ca 0.02 -0.47 0.06 0.00 -1.45 0.00 0.00 58.65 56.81 1y47 h GLN 12 Cb 1.13 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.54 1y47 h GLN 12 CO 0.12 1.10 0.45 0.00 -0.95 0.00 0.00 178.83 179.55 1y47 h ALA 13 N 0.82 1.01 -0.31 3.87 0.00 -1.15 0.41 119.26 123.92 1y47 h ALA 13 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1y47 h ALA 13 Cb 1.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1y47 h ALA 13 CO 0.10 0.16 -0.36 0.52 0.00 0.00 0.00 179.25 179.68 1y47 h MET 14 N 0.83 0.72 0.23 0.00 2.86 -1.31 0.17 114.93 118.42 1y47 h MET 14 Ca 0.33 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1y47 h MET 14 Cb 0.16 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1y47 h MET 14 CO -0.17 0.97 -0.11 0.87 1.06 0.00 0.00 176.91 179.53 1y47 h LYS 15 N 0.60 -0.30 0.00 1.72 1.57 -0.66 0.66 116.57 120.17 1y47 h LYS 15 Ca 0.06 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1y47 h LYS 15 Cb 0.89 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1y47 h LYS 15 CO 0.08 -0.14 0.00 -0.07 -0.57 0.00 0.00 179.45 178.74 1y47 h LEU 16 N -0.38 0.00 0.00 2.94 4.07 -0.93 -1.63 115.31 119.39 1y47 h LEU 16 Ca -0.03 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.81 1y47 h LEU 16 Cb 0.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 1y47 h LEU 16 CO 0.05 0.00 -0.78 1.88 -1.08 0.00 0.00 178.44 178.51 1y47 h TYR 17 N 0.00 0.00 0.01 1.13 0.99 -0.45 -2.75 116.97 115.90 1y47 h TYR 17 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1y47 h TYR 17 Cb 0.70 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.43 1y47 h TYR 17 CO 0.00 0.51 -0.00 0.00 -0.00 0.00 0.00 178.16 178.67 1y47 h ARG 18 N 0.00 -0.01 0.00 4.88 3.08 -0.41 -1.04 114.38 120.88 1y47 h ARG 18 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1y47 h ARG 18 Cb 1.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.48 1y47 h ARG 18 CO 0.06 0.75 -0.09 0.93 -1.07 0.00 0.00 179.97 180.54 1y47 h GLU 19 N -0.81 0.00 0.12 0.04 5.08 -1.42 -1.73 114.58 115.86 1y47 h GLU 19 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1y47 h GLU 19 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1y47 h GLU 19 CO 0.00 0.09 -1.25 0.00 -1.00 0.00 0.00 179.01 176.85 1y47 h ALA 20 N 1.91 0.13 -0.22 3.43 0.00 -1.51 -3.22 119.26 119.78 1y47 h ALA 20 Ca -0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 54.91 53.80 1y47 h ALA 20 Cb 0.18 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1y47 h ALA 20 CO 0.01 1.01 -0.64 1.03 0.00 0.00 0.00 179.25 180.66 1y47 h SER 21 N 0.07 0.94 -0.06 0.00 0.87 -0.72 -1.08 113.55 113.56 1y47 h SER 21 Ca -0.14 -0.58 0.04 0.00 -1.23 0.00 0.00 61.79 59.88 1y47 h SER 21 Cb 1.96 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 63.59 1y47 h SER 21 CO 0.19 1.36 -0.39 -0.08 -0.53 0.00 0.00 176.83 177.38 1y47 h GLU 22 N 0.57 -0.49 0.00 2.24 4.81 -1.43 -2.67 114.58 117.61 1y47 h GLU 22 Ca -0.02 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1y47 h GLU 22 Cb 1.26 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1y47 h GLU 22 CO 0.14 -0.33 0.00 0.54 -0.73 0.00 0.00 179.01 178.63 1y47 n ARG 23 N -5.44 0.00 -0.23 1.92 1.74 -1.21 -4.36 116.66 109.09 1y47 n ARG 23 Ca -0.05 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.01 1y47 n ARG 23 Cb 0.36 -0.35 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1y47 n ARG 23 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1y47 n VAL 24 N -0.19 -0.33 -2.25 1.55 0.31 -0.41 -4.82 118.33 112.19 1y47 n VAL 24 Ca 0.00 1.36 -0.02 0.00 -0.01 0.00 0.00 64.34 65.67 1y47 n VAL 24 Cb 0.00 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 1y47 n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y47 n GLY 25 N -1.23 0.51 3.54 2.92 0.00 -1.01 -5.02 105.19 104.90 1y47 n GLY 25 Ca 0.04 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 1y47 n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y47 s ASP 26 N -2.96 6.22 0.49 1.61 -1.08 -1.26 -4.95 116.67 114.73 1y47 s ASP 26 Ca 0.02 -0.25 0.30 0.00 -0.52 0.00 0.00 52.55 52.10 1y47 s ASP 26 Cb -0.01 -2.22 1.40 0.00 -1.46 0.00 0.00 42.92 40.63 1y47 s ASP 26 CO 0.02 -0.42 1.77 -0.65 0.52 0.00 0.00 175.17 176.41 1y47 h PRO 27 N 8.51 0.14 0.00 4.34 0.11 -1.96 0.59 132.00 143.72 1y47 h PRO 27 Ca -0.29 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 1y47 h PRO 27 Cb 1.13 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1y47 h PRO 27 CO 0.73 0.09 -0.12 -0.24 -0.21 0.00 0.00 178.00 178.25 1y47 h VAL 28 N 0.14 0.63 -0.35 3.15 3.04 -1.99 -0.46 116.25 120.41 1y47 h VAL 28 Ca 0.61 -0.51 -0.07 0.00 -1.01 0.00 0.00 66.70 65.71 1y47 h VAL 28 Cb 2.07 1.32 -0.02 0.00 -2.01 0.00 0.00 31.29 32.66 1y47 h VAL 28 CO -0.14 0.12 -0.07 0.25 -1.01 0.00 0.00 177.57 176.72 1y47 h LEU 29 N 0.00 0.56 -0.46 3.16 5.85 -0.21 0.88 115.31 125.09 1y47 h LEU 29 Ca -0.00 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.42 1y47 h LEU 29 Cb 0.31 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1y47 h LEU 29 CO 0.02 0.68 -0.77 0.00 -0.34 0.00 0.00 178.44 178.03 1y47 h ALA 30 N 1.38 0.73 -0.35 1.25 0.00 -1.14 -2.79 119.26 118.34 1y47 h ALA 30 Ca 0.10 -0.70 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 1y47 h ALA 30 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1y47 h ALA 30 CO 0.02 0.96 -0.17 -0.22 0.00 0.00 0.00 179.25 179.84 1y47 h LYS 31 N 0.00 0.74 0.00 0.00 3.64 -0.53 -2.10 116.57 118.32 1y47 h LYS 31 Ca -0.01 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1y47 h LYS 31 Cb 1.36 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1y47 h LYS 31 CO 0.10 0.93 -0.17 0.82 -2.27 0.00 0.00 179.45 178.86 1y47 h ILE 32 N 0.52 1.04 -0.04 2.00 2.04 -0.83 -2.71 117.51 119.53 1y47 h ILE 32 Ca 0.08 -0.59 -0.21 0.00 1.00 0.00 0.00 64.86 65.14 1y47 h ILE 32 Cb 0.71 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1y47 h ILE 32 CO 0.05 0.16 -0.85 0.25 0.00 0.00 0.00 178.15 177.76 1y47 h LEU 33 N 0.00 0.54 -1.64 1.44 6.46 -1.18 -2.38 115.31 118.54 1y47 h LEU 33 Ca -0.00 -0.39 -0.04 0.00 -0.12 0.00 0.00 57.88 57.32 1y47 h LEU 33 Cb 0.31 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1y47 h LEU 33 CO 0.02 1.17 -0.20 -0.08 -0.62 0.00 0.00 178.44 178.73 1y47 h GLU 34 N 0.26 0.00 0.34 1.25 4.81 -1.07 -2.81 114.58 117.37 1y47 h GLU 34 Ca -0.06 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1y47 h GLU 34 Cb 1.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.85 1y47 h GLU 34 CO 0.15 0.20 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.03 1y47 h ASP 35 N 0.00 -0.39 -1.22 1.04 5.19 -1.40 -3.02 116.42 116.62 1y47 h ASP 35 Ca -0.00 -0.10 0.36 0.00 -0.62 0.00 0.00 57.03 56.66 1y47 h ASP 35 Cb 0.42 0.10 -0.09 0.00 0.18 0.00 0.00 39.33 39.94 1y47 h ASP 35 CO 0.03 0.07 0.81 -0.33 -3.12 0.00 0.00 179.24 176.70 1y47 h GLU 36 N -1.04 0.18 -0.10 3.56 4.39 -1.36 0.59 114.58 120.79 1y47 h GLU 36 Ca -0.05 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1y47 h GLU 36 Cb 0.47 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1y47 h GLU 36 CO 0.08 0.12 0.05 0.93 -1.16 0.00 0.00 179.01 179.03 1y47 h GLU 37 N 0.19 0.15 0.00 2.33 5.08 -1.47 -2.13 114.58 118.72 1y47 h GLU 37 Ca 0.68 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.94 1y47 h GLU 37 Cb 2.15 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.36 1y47 h GLU 37 CO -0.26 0.19 -0.41 0.87 -1.00 0.00 0.00 179.01 178.40 1y47 h LYS 38 N 0.06 0.00 -0.69 2.33 1.57 0.22 -2.48 116.57 117.58 1y47 h LYS 38 Ca 0.04 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1y47 h LYS 38 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1y47 h LYS 38 CO -0.01 0.41 0.26 0.45 -0.57 0.00 0.00 179.45 180.00 1y47 h HIS 39 N 0.00 1.05 -0.19 -1.35 3.86 -0.76 0.23 115.15 117.99 1y47 h HIS 39 Ca -0.00 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1y47 h HIS 39 Cb 0.76 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1y47 h HIS 39 CO 0.00 0.81 0.12 0.82 0.86 0.00 0.00 177.93 180.54 1y47 h ILE 40 N 1.01 1.07 -0.05 2.45 1.08 -0.94 0.24 117.51 122.37 1y47 h ILE 40 Ca 0.23 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.54 1y47 h ILE 40 Cb 0.22 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1y47 h ILE 40 CO -0.02 0.07 0.03 -0.33 -0.69 0.00 0.00 178.15 177.21 1y47 h GLU 41 N 0.23 0.08 -0.62 2.37 5.08 -1.18 -0.84 114.58 119.70 1y47 h GLU 41 Ca 0.07 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1y47 h GLU 41 Cb 0.01 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1y47 h GLU 41 CO -0.01 0.15 0.25 -1.49 -1.00 0.00 0.00 179.01 176.91 1y47 h TRP 42 N -0.02 0.91 -0.61 4.33 6.55 -0.83 0.09 115.95 126.37 1y47 h TRP 42 Ca 0.02 -0.05 0.04 0.00 0.95 0.00 0.00 58.89 59.85 1y47 h TRP 42 Cb 0.10 -0.28 -0.04 0.00 -0.86 0.00 0.00 29.16 28.08 1y47 h TRP 42 CO -0.04 0.70 0.41 -0.07 -1.05 0.00 0.00 178.44 178.38 1y47 h LEU 43 N 0.89 0.59 -0.26 -4.49 3.38 -0.13 -2.00 115.31 113.29 1y47 h LEU 43 Ca 0.21 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1y47 h LEU 43 Cb 0.16 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1y47 h LEU 43 CO -0.02 0.40 0.00 1.21 0.09 0.00 0.00 178.44 180.12 1y47 n GLU 44 N -4.47 0.37 -0.62 1.13 4.07 0.02 -2.87 120.64 118.27 1y47 n GLU 44 Ca 0.08 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.24 1y47 n GLU 44 Cb 0.17 -1.05 0.12 0.00 -0.06 0.00 0.00 31.44 30.62 1y47 n GLU 44 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1y47 n THR 45 N -0.29 1.33 0.31 6.31 -1.04 -0.75 -5.06 114.28 115.08 1y47 n THR 45 Ca 0.00 -2.01 0.04 0.00 -2.04 0.00 0.00 64.05 60.04 1y47 n THR 45 Cb 0.02 0.13 0.03 0.00 -1.82 0.00 0.00 70.33 68.69 1y47 n THR 45 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05