#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 0.00 -0.96 1.24 0.05 -2.05 -3.26 116.97 111.98 1y47 h TYR 2 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1y47 h TYR 2 Cb 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.69 1y47 h TYR 2 CO 0.00 0.00 0.63 -0.07 -1.05 0.00 0.00 178.16 177.67 1y47 h LEU 3 N 0.00 1.11 -0.27 3.88 3.38 -2.00 -0.98 115.31 120.42 1y47 h LEU 3 Ca 0.00 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1y47 h LEU 3 Cb 0.93 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1y47 h LEU 3 CO 0.00 0.81 0.07 0.03 0.09 0.00 0.00 178.44 179.44 1y47 h ARG 4 N 1.30 0.18 -0.05 1.13 -0.00 -2.01 -0.73 114.38 114.19 1y47 h ARG 4 Ca 0.35 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.98 59.73 1y47 h ARG 4 Cb -0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 29.78 1y47 h ARG 4 CO -0.07 0.12 -0.36 0.93 0.00 0.00 0.00 179.97 180.58 1y47 h GLU 5 N 0.18 0.11 -0.37 0.04 4.39 -1.58 -2.62 114.58 114.73 1y47 h GLU 5 Ca 0.12 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 1y47 h GLU 5 Cb 0.11 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1y47 h GLU 5 CO -0.14 0.46 0.04 -0.07 -1.16 0.00 0.00 179.01 178.13 1y47 h LEU 6 N 0.09 0.60 -0.87 1.33 4.07 -0.39 -0.81 115.31 119.33 1y47 h LEU 6 Ca 0.01 -0.28 -0.07 0.00 0.08 0.00 0.00 57.88 57.62 1y47 h LEU 6 Cb 0.69 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 1y47 h LEU 6 CO 0.05 0.73 0.03 1.88 -1.08 0.00 0.00 178.44 180.05 1y47 h TYR 7 N 0.46 0.92 0.42 1.13 -1.99 -1.05 -1.11 116.97 115.76 1y47 h TYR 7 Ca 0.11 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1y47 h TYR 7 Cb 0.40 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.88 1y47 h TYR 7 CO 0.03 0.83 -0.22 -0.22 -0.00 0.00 0.00 178.16 178.58 1y47 h LYS 8 N 0.81 -0.57 -0.25 4.88 3.64 -1.18 0.16 116.57 124.06 1y47 h LYS 8 Ca 0.16 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1y47 h LYS 8 Cb 0.45 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 1y47 h LYS 8 CO 0.02 -0.38 0.07 1.25 -2.27 0.00 0.00 179.45 178.14 1y47 h LEU 9 N -0.59 0.06 -2.06 5.20 6.46 -1.00 0.17 115.31 123.56 1y47 h LEU 9 Ca -0.05 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1y47 h LEU 9 Cb 0.46 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1y47 h LEU 9 CO 0.08 0.07 0.08 -0.33 -0.62 0.00 0.00 178.44 177.72 1y47 h GLU 10 N 0.17 0.00 -0.31 1.25 4.39 -1.05 0.18 114.58 119.21 1y47 h GLU 10 Ca 0.11 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.63 1y47 h GLU 10 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1y47 h GLU 10 CO -0.13 0.00 -0.50 0.37 -1.16 0.00 0.00 179.01 177.59 1y47 h GLN 11 N 0.00 0.88 0.00 2.33 4.15 0.20 -1.76 115.11 120.92 1y47 h GLN 11 Ca 0.05 -0.53 -0.16 0.00 0.77 0.00 0.00 58.65 58.78 1y47 h GLN 11 Cb 0.22 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1y47 h GLN 11 CO -0.00 1.17 -0.75 0.37 -1.93 0.00 0.00 178.83 177.69 1y47 h GLN 12 N 0.69 0.00 -0.11 1.69 4.15 0.50 -2.61 115.11 119.42 1y47 h GLN 12 Ca 0.03 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1y47 h GLN 12 Cb 1.10 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 1y47 h GLN 12 CO 0.11 0.75 0.07 0.00 -1.93 0.00 0.00 178.83 177.83 1y47 h ALA 13 N 1.25 0.14 -0.15 3.38 0.00 -0.44 0.62 119.26 124.06 1y47 h ALA 13 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1y47 h ALA 13 Cb 1.34 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1y47 h ALA 13 CO 0.10 -0.36 -0.16 0.52 0.00 0.00 0.00 179.25 179.35 1y47 h MET 14 N 0.12 -0.18 0.00 0.00 2.86 -1.28 -0.92 114.93 115.53 1y47 h MET 14 Ca 0.04 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1y47 h MET 14 Cb 0.02 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1y47 h MET 14 CO -0.01 -0.12 0.00 1.17 1.06 0.00 0.00 176.91 179.01 1y47 n LYS 15 N -5.30 0.00 -0.30 1.72 3.00 -0.71 0.91 118.16 117.47 1y47 n LYS 15 Ca -0.03 0.60 0.16 0.00 -0.00 0.00 0.00 58.31 59.05 1y47 n LYS 15 Cb 0.22 -1.36 0.41 0.00 0.00 0.00 0.00 35.03 34.30 1y47 n LYS 15 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1y47 h LEU 16 N 0.00 0.61 -0.01 3.14 4.07 0.22 -2.06 115.31 121.28 1y47 h LEU 16 Ca 0.00 0.07 -0.11 0.00 0.08 0.00 0.00 57.88 57.92 1y47 h LEU 16 Cb 0.00 -0.04 0.01 0.00 1.08 0.00 0.00 40.66 41.71 1y47 h LEU 16 CO 0.00 0.23 -0.41 1.88 -1.08 0.00 0.00 178.44 179.06 1y47 h TYR 17 N 0.60 0.44 -0.06 1.13 -1.99 -1.02 -1.68 116.97 114.38 1y47 h TYR 17 Ca 0.53 -0.23 0.02 0.00 2.00 0.00 0.00 58.73 61.05 1y47 h TYR 17 Cb 1.03 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 39.71 1y47 h TYR 17 CO -0.00 1.03 0.38 -0.09 -0.00 0.00 0.00 178.16 179.47 1y47 h ARG 18 N -0.28 0.00 0.00 4.88 2.43 0.13 -1.86 114.38 119.67 1y47 h ARG 18 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1y47 h ARG 18 Cb 1.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1y47 h ARG 18 CO 0.08 0.00 -0.24 -0.85 -1.51 0.00 0.00 179.97 177.45 1y47 n GLU 19 N -2.99 5.39 0.00 0.20 0.28 -1.11 -4.04 120.64 118.38 1y47 n GLU 19 Ca -0.01 -0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.11 1y47 n GLU 19 Cb 0.44 -0.65 0.53 0.00 1.43 0.00 0.00 31.44 33.18 1y47 n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1y47 n ALA 20 N -1.13 2.12 -0.01 -1.84 0.00 -0.63 -1.86 120.51 117.16 1y47 n ALA 20 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1y47 n ALA 20 Cb 0.03 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 17.95 1y47 n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1y47 h SER 21 N 0.00 0.00 -0.57 0.00 0.87 -1.57 -2.88 113.55 109.40 1y47 h SER 21 Ca 0.00 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1y47 h SER 21 Cb 0.40 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1y47 h SER 21 CO 0.00 1.00 0.20 -0.33 -0.53 0.00 0.00 176.83 177.17 1y47 h GLU 22 N 0.00 0.92 0.00 2.24 5.08 -1.51 -2.57 114.58 118.74 1y47 h GLU 22 Ca -0.26 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1y47 h GLU 22 Cb 1.99 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1y47 h GLU 22 CO 0.08 0.79 0.00 0.54 -1.00 0.00 0.00 179.01 179.42 1y47 n ARG 23 N -4.29 0.00 -0.32 2.33 5.12 -1.17 -4.60 116.66 113.74 1y47 n ARG 23 Ca 0.05 0.00 0.23 0.00 -1.93 0.00 0.00 57.85 56.20 1y47 n ARG 23 Cb 0.20 -0.12 0.52 0.00 -1.16 0.00 0.00 32.46 31.91 1y47 n ARG 23 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1y47 h VAL 24 N 0.00 0.52 -1.91 1.55 2.07 -1.71 -3.45 116.25 113.33 1y47 h VAL 24 Ca 0.00 -0.13 -0.30 0.00 0.82 0.00 0.00 66.70 67.09 1y47 h VAL 24 Cb 0.00 0.12 -0.09 0.00 -1.52 0.00 0.00 31.29 29.80 1y47 h VAL 24 CO 0.00 0.07 -0.30 0.61 0.02 0.00 0.00 177.57 177.96 1y47 n GLY 25 N -1.49 0.90 3.73 2.17 0.00 -0.97 -4.93 105.19 104.59 1y47 n GLY 25 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.20 6.94 0.28 1.61 -1.08 -1.26 -4.90 116.67 116.07 1y47 s ASP 26 Ca 0.00 2.28 0.14 0.00 -0.52 0.00 0.00 52.55 54.44 1y47 s ASP 26 Cb 0.00 -2.60 0.75 0.00 -1.46 0.00 0.00 42.92 39.62 1y47 s ASP 26 CO 0.00 -0.52 1.35 -0.81 0.52 0.00 0.00 175.17 175.70 1y47 n PRO 27 N 3.23 0.09 -0.04 4.34 -0.04 -1.26 -2.06 135.00 139.27 1y47 n PRO 27 Ca 0.08 0.56 -0.14 0.00 -0.04 0.00 0.00 63.50 63.96 1y47 n PRO 27 Cb 0.44 -2.00 -0.12 0.00 -0.04 0.00 0.00 33.50 31.78 1y47 n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1y47 h VAL 28 N 0.00 1.61 -0.98 0.52 2.07 -2.00 -3.23 116.25 114.24 1y47 h VAL 28 Ca 0.00 -1.82 0.33 0.00 0.82 0.00 0.00 66.70 66.03 1y47 h VAL 28 Cb 0.40 2.83 -0.16 0.00 -1.52 0.00 0.00 31.29 32.84 1y47 h VAL 28 CO 0.00 0.47 0.44 -0.07 0.02 0.00 0.00 177.57 178.43 1y47 h LEU 29 N -0.74 0.26 -0.71 2.57 4.07 -1.81 0.96 115.31 119.91 1y47 h LEU 29 Ca -0.00 0.22 -0.14 0.00 0.08 0.00 0.00 57.88 58.04 1y47 h LEU 29 Cb 0.79 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1y47 h LEU 29 CO 0.00 -0.24 -0.61 0.00 -1.08 0.00 0.00 178.44 176.51 1y47 h ALA 30 N 1.89 0.92 -0.63 1.53 0.00 -1.69 -0.91 119.26 120.37 1y47 h ALA 30 Ca 0.72 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1y47 h ALA 30 Cb 1.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1y47 h ALA 30 CO -0.69 0.74 0.05 0.87 0.00 0.00 0.00 179.25 180.22 1y47 h LYS 31 N 0.09 1.09 -0.14 0.00 1.79 0.88 -1.63 116.57 118.65 1y47 h LYS 31 Ca -0.01 -0.32 -0.04 0.00 -2.18 0.00 0.00 60.65 58.11 1y47 h LYS 31 Cb 1.10 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1y47 h LYS 31 CO 0.09 1.03 -0.06 0.82 -1.08 0.00 0.00 179.45 180.25 1y47 h ILE 32 N 1.00 1.31 -0.80 1.86 2.04 -0.99 -2.76 117.51 119.17 1y47 h ILE 32 Ca 0.19 -1.08 0.19 0.00 1.00 0.00 0.00 64.86 65.16 1y47 h ILE 32 Cb 0.51 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 1y47 h ILE 32 CO 0.02 0.31 0.54 0.25 0.00 0.00 0.00 178.15 179.28 1y47 h LEU 33 N -0.04 0.28 -0.56 1.44 7.12 -0.95 0.57 115.31 123.16 1y47 h LEU 33 Ca 0.03 0.02 -0.13 0.00 0.13 0.00 0.00 57.88 57.94 1y47 h LEU 33 Cb 0.52 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 1y47 h LEU 33 CO 0.02 0.13 -0.22 -0.33 -0.13 0.00 0.00 178.44 177.91 1y47 h GLU 34 N 0.28 0.92 -0.45 1.25 5.08 -1.03 -2.92 114.58 117.72 1y47 h GLU 34 Ca 0.40 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1y47 h GLU 34 Cb 1.13 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1y47 h GLU 34 CO -0.10 1.04 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.47 1y47 h ASP 35 N 0.80 0.73 -0.51 1.42 3.45 0.35 -2.04 116.42 120.62 1y47 h ASP 35 Ca 0.11 -0.19 -0.08 0.00 0.43 0.00 0.00 57.03 57.30 1y47 h ASP 35 Cb 0.78 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.33 1y47 h ASP 35 CO 0.06 0.83 -0.00 -0.33 -1.57 0.00 0.00 179.24 178.23 1y47 h GLU 36 N 0.70 0.90 -0.12 3.56 4.39 -1.23 0.27 114.58 123.05 1y47 h GLU 36 Ca 0.13 -0.29 0.04 0.00 0.34 0.00 0.00 59.36 59.58 1y47 h GLU 36 Cb 0.49 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 1y47 h GLU 36 CO 0.02 0.93 -0.13 0.93 -1.16 0.00 0.00 179.01 179.60 1y47 h GLU 37 N 0.76 -0.16 -0.89 2.33 5.08 -1.31 -0.12 114.58 120.28 1y47 h GLU 37 Ca 0.14 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.63 1y47 h GLU 37 Cb 0.53 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 1y47 h GLU 37 CO 0.03 -0.10 0.57 -0.22 -1.00 0.00 0.00 179.01 178.28 1y47 h LYS 38 N -0.16 0.77 -0.47 2.33 3.64 -0.76 -1.45 116.57 120.47 1y47 h LYS 38 Ca 0.09 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1y47 h LYS 38 Cb 0.29 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1y47 h LYS 38 CO -0.21 0.51 -0.20 0.45 -2.27 0.00 0.00 179.45 177.73 1y47 h HIS 39 N 0.79 1.08 -0.56 1.91 3.86 0.59 -1.68 115.15 121.16 1y47 h HIS 39 Ca 0.43 -0.25 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1y47 h HIS 39 Cb 0.55 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 1y47 h HIS 39 CO -0.00 1.06 0.36 0.82 0.86 0.00 0.00 177.93 181.03 1y47 h ILE 40 N 0.83 1.13 -0.68 2.45 1.08 -0.05 -0.03 117.51 122.23 1y47 h ILE 40 Ca 0.11 -0.25 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1y47 h ILE 40 Cb 0.76 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 1y47 h ILE 40 CO 0.06 0.14 0.45 -0.08 -0.69 0.00 0.00 178.15 178.02 1y47 h GLU 41 N 0.74 0.88 0.00 2.37 4.81 -1.19 -2.81 114.58 119.37 1y47 h GLU 41 Ca 0.21 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 1y47 h GLU 41 Cb -0.07 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 1y47 h GLU 41 CO -0.05 0.58 -0.65 -1.49 -0.73 0.00 0.00 179.01 176.67 1y47 h TRP 42 N 0.91 0.00 0.00 0.92 6.55 -0.91 -3.05 115.95 120.37 1y47 h TRP 42 Ca 0.26 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.09 1y47 h TRP 42 Cb -0.08 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.22 1y47 h TRP 42 CO -0.03 0.65 -0.05 -0.07 -1.05 0.00 0.00 178.44 177.89 1y47 h LEU 43 N 0.00 0.00 0.00 -4.49 3.38 -0.75 -0.70 115.31 112.75 1y47 h LEU 43 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1y47 h LEU 43 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1y47 h LEU 43 CO 0.08 0.05 0.00 -0.62 0.09 0.00 0.00 178.44 178.04 1y47 n GLU 44 N -4.10 0.37 0.00 1.13 1.02 -1.15 -2.11 120.64 115.80 1y47 n GLU 44 Ca -0.03 0.08 0.09 0.00 -0.02 0.00 0.00 57.16 57.28 1y47 n GLU 44 Cb 0.13 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.13 1y47 n GLU 44 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1y47 n THR 45 N -1.22 0.00 1.38 2.62 -1.04 -0.27 -5.14 114.28 110.61 1y47 n THR 45 Ca 0.11 -0.48 0.14 0.00 -2.04 0.00 0.00 64.05 61.77 1y47 n THR 45 Cb 0.14 1.38 0.42 0.00 -1.82 0.00 0.00 70.33 70.45 1y47 n THR 45 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05