#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y66 s TRP 4 N 0.00 3.36 -0.33 1.08 -0.11 -1.26 -5.08 118.94 116.60 1y66 s TRP 4 Ca 0.00 0.25 -0.05 0.00 1.22 0.00 0.00 56.10 57.52 1y66 s TRP 4 Cb 0.00 -2.10 0.05 0.00 -1.50 0.00 0.00 33.47 29.92 1y66 s TRP 4 CO 0.00 0.29 0.09 0.45 -4.62 0.00 0.00 176.95 173.15 1y66 s SER 5 N 0.20 5.22 0.36 5.86 0.15 -1.26 -4.97 113.70 119.25 1y66 s SER 5 Ca 0.07 -1.21 0.04 0.00 0.70 0.00 0.00 55.95 55.54 1y66 s SER 5 Cb -0.12 -1.83 0.67 0.00 -1.71 0.00 0.00 66.02 63.03 1y66 s SER 5 CO -0.01 -0.32 1.98 -0.33 1.20 0.00 0.00 173.24 175.76 1y66 h GLU 6 N 8.16 0.69 -0.24 5.44 4.39 -1.99 -1.77 114.58 129.27 1y66 h GLU 6 Ca -0.22 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 1y66 h GLU 6 Cb 1.08 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1y66 h GLU 6 CO 0.59 0.52 0.11 1.49 -1.16 0.00 0.00 179.01 180.56 1y66 h GLU 7 N 0.69 0.34 -0.39 2.33 4.81 -1.99 0.41 114.58 120.80 1y66 h GLU 7 Ca 0.18 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1y66 h GLU 7 Cb 0.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1y66 h GLU 7 CO -0.03 0.36 0.23 0.28 -0.73 0.00 0.00 179.01 179.12 1y66 h VAL 8 N 0.25 1.13 -0.38 0.32 2.07 -1.92 -0.42 116.25 117.29 1y66 h VAL 8 Ca 0.08 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.34 1y66 h VAL 8 Cb 0.14 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1y66 h VAL 8 CO -0.01 0.14 0.04 -0.08 0.02 0.00 0.00 177.57 177.67 1y66 h GLU 9 N 0.50 0.14 -0.21 1.57 4.81 -1.15 -1.26 114.58 118.99 1y66 h GLU 9 Ca 0.14 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.18 1y66 h GLU 9 Cb 0.02 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1y66 h GLU 9 CO -0.02 0.09 -0.58 0.00 -0.73 0.00 0.00 179.01 177.77 1y66 h ARG 10 N 0.15 0.66 -0.63 1.92 3.08 -0.71 -1.26 114.38 117.59 1y66 h ARG 10 Ca 0.19 -0.44 -0.07 0.00 0.07 0.00 0.00 59.98 59.73 1y66 h ARG 10 Cb 0.25 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1y66 h ARG 10 CO -0.28 1.05 0.10 0.87 -1.07 0.00 0.00 179.97 180.65 1y66 h LYS 11 N 0.50 1.04 -0.50 0.04 1.79 -0.88 -0.53 116.57 118.03 1y66 h LYS 11 Ca 0.00 -0.28 -0.09 0.00 -2.18 0.00 0.00 60.65 58.10 1y66 h LYS 11 Cb 1.15 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.67 1y66 h LYS 11 CO 0.12 0.96 -0.05 -0.07 -1.08 0.00 0.00 179.45 179.33 1y66 h LEU 12 N 0.95 0.91 -1.02 2.94 3.38 -1.01 -0.15 115.31 121.30 1y66 h LEU 12 Ca 0.19 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1y66 h LEU 12 Cb 0.43 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1y66 h LEU 12 CO 0.01 1.03 -0.09 0.11 0.09 0.00 0.00 178.44 179.59 1y66 h LYS 13 N 0.77 0.60 -0.21 1.13 1.57 -1.07 -2.30 116.57 117.07 1y66 h LYS 13 Ca 0.13 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1y66 h LYS 13 Cb 0.59 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1y66 h LYS 13 CO 0.04 0.69 -0.47 1.49 -0.57 0.00 0.00 179.45 180.62 1y66 h GLU 14 N 0.56 0.55 -0.35 3.15 4.57 -0.79 0.82 114.58 123.09 1y66 h GLU 14 Ca 0.11 -0.31 0.04 0.00 -1.18 0.00 0.00 59.36 58.01 1y66 h GLU 14 Cb 0.48 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 1y66 h GLU 14 CO 0.03 0.91 0.13 0.35 -1.18 0.00 0.00 179.01 179.25 1y66 h PHE 15 N 0.44 0.24 -0.25 0.92 3.57 -0.66 0.15 116.94 121.35 1y66 h PHE 15 Ca 0.02 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1y66 h PHE 15 Cb 0.99 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1y66 h PHE 15 CO 0.04 0.11 -0.20 0.28 -2.23 0.00 0.00 178.31 176.31 1y66 h VAL 16 N 0.29 1.31 -0.53 1.41 2.07 -1.18 -1.29 116.25 118.33 1y66 h VAL 16 Ca 0.16 -1.34 0.07 0.00 0.82 0.00 0.00 66.70 66.40 1y66 h VAL 16 Cb 0.12 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 1y66 h VAL 16 CO -0.15 0.42 0.22 -0.09 0.02 0.00 0.00 177.57 177.99 1y66 h ARG 17 N 0.28 0.41 -0.32 1.57 2.43 -0.62 -1.94 114.38 116.20 1y66 h ARG 17 Ca 0.05 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 1y66 h ARG 17 Cb 0.74 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1y66 h ARG 17 CO 0.05 0.27 -0.29 0.00 -1.51 0.00 0.00 179.97 178.49 1y66 h ARG 18 N 0.42 0.67 -0.82 0.20 2.47 -0.62 -0.59 114.38 116.12 1y66 h ARG 18 Ca 0.25 -0.29 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1y66 h ARG 18 Cb 0.24 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 1y66 h ARG 18 CO -0.23 0.88 0.48 1.25 0.56 0.00 0.00 179.97 182.92 1y66 h HIS 19 N 0.57 1.09 -0.56 3.04 2.76 -0.94 0.82 115.15 121.92 1y66 h HIS 19 Ca 0.07 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 1y66 h HIS 19 Cb 0.79 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 1y66 h HIS 19 CO 0.04 0.73 0.04 0.37 -1.30 0.00 0.00 177.93 177.81 1y66 h GLN 20 N 1.12 0.96 -0.22 5.26 5.75 -0.63 -1.22 115.11 126.15 1y66 h GLN 20 Ca 0.29 -0.29 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1y66 h GLN 20 Cb -0.03 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1y66 h GLN 20 CO -0.05 0.95 0.02 1.49 -2.65 0.00 0.00 178.83 178.58 1y66 h GLU 21 N 0.85 0.37 -0.71 1.69 4.81 -0.80 0.74 114.58 121.52 1y66 h GLU 21 Ca 0.16 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1y66 h GLU 21 Cb 0.49 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 1y66 h GLU 21 CO 0.02 0.54 0.40 0.82 -0.73 0.00 0.00 179.01 180.07 1y66 h ILE 22 N 0.15 0.97 -0.12 2.32 2.04 -0.75 0.27 117.51 122.40 1y66 h ILE 22 Ca 0.06 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1y66 h ILE 22 Cb 0.36 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1y66 h ILE 22 CO 0.01 0.13 0.06 0.74 0.00 0.00 0.00 178.15 179.09 1y66 h THR 23 N 0.73 1.10 -0.47 -0.27 2.02 -0.72 0.83 112.91 116.14 1y66 h THR 23 Ca 0.32 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 1y66 h THR 23 Cb 0.21 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1y66 h THR 23 CO -0.19 0.09 0.18 1.56 0.37 0.00 0.00 175.52 177.53 1y66 h GLN 24 N 0.08 0.71 -0.56 6.66 4.20 -0.57 0.06 115.11 125.69 1y66 h GLN 24 Ca 0.04 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 1y66 h GLN 24 Cb 0.09 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1y66 h GLN 24 CO -0.01 0.65 -0.07 0.93 -0.67 0.00 0.00 178.83 179.67 1y66 h GLU 25 N 0.61 1.03 -0.60 1.46 5.08 -0.82 -1.46 114.58 119.88 1y66 h GLU 25 Ca 0.15 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1y66 h GLU 25 Cb 0.21 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1y66 h GLU 25 CO -0.01 1.05 0.14 1.15 -1.00 0.00 0.00 179.01 180.34 1y66 h THR 26 N 0.91 1.25 -0.32 1.13 2.02 -0.57 -0.66 112.91 116.66 1y66 h THR 26 Ca 0.15 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.35 1y66 h THR 26 Cb 0.63 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1y66 h THR 26 CO 0.04 0.34 -0.09 -0.07 0.37 0.00 0.00 175.52 176.11 1y66 h LEU 27 N 0.87 0.51 -0.19 2.58 3.38 -0.75 0.47 115.31 122.18 1y66 h LEU 27 Ca 0.19 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1y66 h LEU 27 Cb 0.35 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1y66 h LEU 27 CO 0.00 0.65 -0.26 -0.74 0.09 0.00 0.00 178.44 178.18 1y66 h HIS 28 N 0.50 0.64 -0.68 1.13 2.76 -0.99 -1.72 115.15 116.79 1y66 h HIS 28 Ca 0.10 -0.21 -0.08 0.00 -2.20 0.00 0.00 60.37 57.98 1y66 h HIS 28 Cb 0.46 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.27 1y66 h HIS 28 CO 0.02 0.91 0.12 1.49 -1.30 0.00 0.00 177.93 179.17 1y66 h GLU 29 N 0.19 1.11 -0.66 5.26 4.81 -0.92 -1.53 114.58 122.83 1y66 h GLU 29 Ca 0.02 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1y66 h GLU 29 Cb 0.83 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1y66 h GLU 29 CO 0.06 1.01 0.35 -0.92 -0.73 0.00 0.00 179.01 178.78 1y66 h TYR 30 N 1.04 0.92 -0.49 0.92 3.20 -0.79 -0.56 116.97 121.22 1y66 h TYR 30 Ca 0.21 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1y66 h TYR 30 Cb 0.42 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1y66 h TYR 30 CO 0.03 0.67 0.18 0.00 -1.64 0.00 0.00 178.16 177.40 1y66 h ALA 31 N 1.17 0.64 0.11 1.82 0.00 -1.11 -0.23 119.26 121.66 1y66 h ALA 31 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1y66 h ALA 31 Cb 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1y66 h ALA 31 CO -0.04 0.27 -0.08 1.96 0.00 0.00 0.00 179.25 181.37 1y66 h GLN 32 N 0.66 -0.18 -0.34 0.00 4.20 -0.82 0.84 115.11 119.46 1y66 h GLN 32 Ca 0.16 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 1y66 h GLN 32 Cb 0.23 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1y66 h GLN 32 CO -0.01 -0.12 0.13 0.87 -0.67 0.00 0.00 178.83 179.03 1y66 h LYS 33 N -0.19 0.52 -0.86 1.46 1.57 -0.93 -1.05 116.57 117.09 1y66 h LYS 33 Ca -0.01 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1y66 h LYS 33 Cb 0.17 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1y66 h LYS 33 CO -0.00 0.53 0.56 -0.07 -0.57 0.00 0.00 179.45 179.90 1y66 h LEU 34 N 0.40 0.99 -0.65 2.94 3.38 -0.98 -2.59 115.31 118.80 1y66 h LEU 34 Ca 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1y66 h LEU 34 Cb 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1y66 h LEU 34 CO -0.01 0.72 0.34 1.23 0.09 0.00 0.00 178.44 180.82 1y66 h GLY 35 N 1.17 0.99 1.27 0.83 0.00 -0.33 -0.39 103.07 106.61 1y66 h GLY 35 Ca 0.31 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1y66 h GLY 35 CO -0.07 0.45 0.31 1.41 0.00 0.00 0.00 176.54 178.64 1y66 h LEU 36 N 0.89 0.85 -0.27 3.11 3.38 -0.99 -0.36 115.31 121.93 1y66 h LEU 36 Ca 0.23 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 1y66 h LEU 36 Cb 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1y66 h LEU 36 CO -0.03 0.73 -0.46 -1.13 0.09 0.00 0.00 178.44 177.64 1y66 h ASN 37 N 0.94 0.87 -0.39 -0.43 -0.00 -1.08 -2.74 115.58 112.75 1y66 h ASN 37 Ca 0.23 -0.53 -0.09 0.00 -0.00 0.00 0.00 56.30 55.92 1y66 h ASN 37 Cb 0.11 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.17 1y66 h ASN 37 CO -0.03 1.23 -0.09 -0.61 -0.00 0.00 0.00 177.43 177.93 1y66 h GLN 38 N 0.53 0.75 0.00 6.67 5.75 -0.85 -2.59 115.11 125.38 1y66 h GLN 38 Ca 0.02 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.19 1y66 h GLN 38 Cb 1.06 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 1y66 h GLN 38 CO 0.10 0.89 -0.19 -0.56 -2.65 0.00 0.00 178.83 176.42 1y66 h GLN 39 N 0.57 0.00 -0.18 1.69 3.07 -1.10 -1.74 115.11 117.41 1y66 h GLN 39 Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.72 1y66 h GLN 39 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.17 1y66 h GLN 39 CO 0.04 0.19 -0.36 0.00 0.09 0.00 0.00 178.83 178.79 1y66 h ALA 40 N 1.81 0.29 -0.02 0.06 0.00 -1.29 -0.66 119.26 119.45 1y66 h ALA 40 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1y66 h ALA 40 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1y66 h ALA 40 CO 0.03 0.36 -0.42 0.97 0.00 0.00 0.00 179.25 180.18 1y66 h ILE 41 N 0.23 1.31 -0.09 0.00 6.09 -1.11 -1.55 117.51 122.39 1y66 h ILE 41 Ca 0.01 -1.48 -0.19 0.00 -1.37 0.00 0.00 64.86 61.83 1y66 h ILE 41 Cb 0.96 1.77 0.01 0.00 0.47 0.00 0.00 36.82 40.03 1y66 h ILE 41 CO 0.08 0.43 -0.70 -0.33 -3.07 0.00 0.00 178.15 174.55 1y66 h GLU 42 N 0.04 0.63 0.00 2.19 5.08 -1.34 -3.19 114.58 117.99 1y66 h GLU 42 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1y66 h GLU 42 Cb 0.77 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1y66 h GLU 42 CO 0.06 1.18 0.00 1.04 -1.00 0.00 0.00 179.01 180.29 1y66 n GLN 43 N -4.07 0.20 0.01 2.33 6.02 -0.26 -2.21 117.38 119.40 1y66 n GLN 43 Ca -0.09 0.05 -0.04 0.00 -0.01 0.00 0.00 57.00 56.91 1y66 n GLN 43 Cb 0.71 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.64 1y66 n GLN 43 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1y66 h PHE 44 N 0.00 0.58 -3.01 1.08 3.57 -1.27 -3.39 116.94 114.50 1y66 h PHE 44 Ca 0.00 -0.13 -0.66 0.00 3.53 0.00 0.00 57.97 60.71 1y66 h PHE 44 Cb 0.34 -0.14 -0.16 0.00 2.79 0.00 0.00 35.95 38.78 1y66 h PHE 44 CO 0.00 0.75 0.31 -0.06 -2.23 0.00 0.00 178.31 177.08 1y66 s PHE 45 N -4.44 2.88 0.00 0.41 0.40 -0.94 -5.13 117.98 111.17 1y66 s PHE 45 Ca -0.07 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 1y66 s PHE 45 Cb 0.13 -3.96 0.00 0.00 0.51 0.00 0.00 43.02 39.70 1y66 s PHE 45 CO 0.80 -1.33 0.35 0.54 0.70 0.00 0.00 175.22 176.29