#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y66 h GLU 6 N 0.00 0.76 -0.21 -1.46 4.39 -2.05 -2.29 114.58 113.73 1y66 h GLU 6 Ca 0.00 -0.48 -0.16 0.00 0.34 0.00 0.00 59.36 59.06 1y66 h GLU 6 Cb 0.00 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1y66 h GLU 6 CO 0.00 1.11 -0.51 1.49 -1.16 0.00 0.00 179.01 179.93 1y66 h GLU 7 N 0.59 0.58 -0.35 2.33 4.57 -2.06 -0.36 114.58 119.88 1y66 h GLU 7 Ca 0.01 -0.35 -0.05 0.00 -1.18 0.00 0.00 59.36 57.79 1y66 h GLU 7 Cb 1.12 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1y66 h GLU 7 CO 0.11 0.96 0.02 0.28 -1.18 0.00 0.00 179.01 179.20 1y66 h VAL 8 N 0.46 1.25 -0.84 0.32 2.07 -2.00 -2.15 116.25 115.35 1y66 h VAL 8 Ca 0.02 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.63 1y66 h VAL 8 Cb 1.05 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1y66 h VAL 8 CO 0.10 0.31 0.56 -0.33 0.02 0.00 0.00 177.57 178.22 1y66 h GLU 9 N 0.43 1.07 -0.24 1.57 3.07 -1.11 -0.51 114.58 118.86 1y66 h GLU 9 Ca 0.10 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.78 1y66 h GLU 9 Cb 0.42 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1y66 h GLU 9 CO 0.01 0.71 -0.36 0.00 -1.40 0.00 0.00 179.01 177.97 1y66 h ARG 10 N 1.10 0.52 -0.18 2.33 3.08 -0.95 -1.26 114.38 119.01 1y66 h ARG 10 Ca 0.32 -0.24 -0.14 0.00 0.07 0.00 0.00 59.98 59.99 1y66 h ARG 10 Cb -0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1y66 h ARG 10 CO -0.08 0.81 -0.48 -0.22 -1.07 0.00 0.00 179.97 178.93 1y66 h LYS 11 N 0.44 0.48 -0.36 0.04 1.63 -0.61 -2.08 116.57 116.11 1y66 h LYS 11 Ca 0.05 -0.27 -0.08 0.00 -0.85 0.00 0.00 60.65 59.50 1y66 h LYS 11 Cb 0.83 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.46 1y66 h LYS 11 CO 0.07 0.85 -0.12 -0.07 -3.45 0.00 0.00 179.45 176.73 1y66 h LEU 12 N 0.38 0.61 -0.65 5.20 -0.00 -0.99 -1.59 115.31 118.27 1y66 h LEU 12 Ca 0.02 -0.17 0.05 0.00 -0.00 0.00 0.00 57.88 57.78 1y66 h LEU 12 Cb 0.98 -0.16 -0.05 0.00 -0.00 0.00 0.00 40.66 41.42 1y66 h LEU 12 CO 0.09 0.76 0.37 0.11 -0.00 0.00 0.00 178.44 179.77 1y66 h LYS 13 N 0.57 0.68 -0.22 1.13 1.79 -0.59 -0.61 116.57 119.33 1y66 h LYS 13 Ca 0.10 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 58.40 1y66 h LYS 13 Cb 0.54 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1y66 h LYS 13 CO 0.03 0.45 -0.39 1.49 -1.08 0.00 0.00 179.45 179.95 1y66 h GLU 14 N 0.70 0.51 -0.47 3.15 4.57 -0.96 -0.51 114.58 121.58 1y66 h GLU 14 Ca 0.28 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1y66 h GLU 14 Cb 0.13 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1y66 h GLU 14 CO -0.16 0.82 0.23 0.74 -1.18 0.00 0.00 179.01 179.47 1y66 h PHE 15 N 0.43 0.66 -0.73 0.92 -1.00 -0.85 0.10 116.94 116.47 1y66 h PHE 15 Ca 0.04 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 1y66 h PHE 15 Cb 0.87 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 40.19 1y66 h PHE 15 CO 0.03 0.52 0.26 0.28 -1.61 0.00 0.00 178.31 177.79 1y66 h VAL 16 N 0.61 1.26 -0.51 -0.55 2.07 -0.94 -0.69 116.25 117.49 1y66 h VAL 16 Ca 0.16 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1y66 h VAL 16 Cb 0.10 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1y66 h VAL 16 CO -0.02 0.34 0.22 -0.09 0.02 0.00 0.00 177.57 178.04 1y66 h ARG 17 N 1.06 0.76 -0.52 1.57 2.43 -0.81 -1.13 114.38 117.73 1y66 h ARG 17 Ca 0.24 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1y66 h ARG 17 Cb 0.26 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1y66 h ARG 17 CO -0.01 0.65 0.00 0.00 -1.51 0.00 0.00 179.97 179.10 1y66 h ARG 18 N 0.69 0.88 -0.52 0.20 2.47 -0.51 -0.10 114.38 117.49 1y66 h ARG 18 Ca 0.17 -0.25 -0.06 0.00 -1.26 0.00 0.00 59.98 58.58 1y66 h ARG 18 Cb 0.17 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1y66 h ARG 18 CO -0.02 0.88 0.09 1.25 0.56 0.00 0.00 179.97 182.73 1y66 h HIS 19 N 0.82 0.91 -0.62 3.04 2.76 -0.81 -0.13 115.15 121.12 1y66 h HIS 19 Ca 0.16 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1y66 h HIS 19 Cb 0.48 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 1y66 h HIS 19 CO 0.03 0.82 0.34 0.37 -1.30 0.00 0.00 177.93 178.18 1y66 h GLN 20 N 0.74 0.87 -0.33 5.26 4.15 -0.72 -1.24 115.11 123.84 1y66 h GLN 20 Ca 0.16 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1y66 h GLN 20 Cb 0.39 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1y66 h GLN 20 CO 0.01 0.67 0.09 1.49 -1.93 0.00 0.00 178.83 179.16 1y66 h GLU 21 N 0.85 0.53 -0.73 1.69 4.81 -0.65 0.12 114.58 121.19 1y66 h GLU 21 Ca 0.22 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1y66 h GLU 21 Cb 0.05 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 1y66 h GLU 21 CO -0.03 0.57 0.41 0.82 -0.73 0.00 0.00 179.01 180.05 1y66 h ILE 22 N 0.38 0.94 -0.23 2.32 2.04 -0.81 0.54 117.51 122.70 1y66 h ILE 22 Ca 0.11 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1y66 h ILE 22 Cb 0.28 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1y66 h ILE 22 CO -0.00 0.13 0.01 0.74 0.00 0.00 0.00 178.15 179.03 1y66 h THR 23 N 0.73 1.25 -0.46 -0.27 2.02 -0.95 -0.73 112.91 114.50 1y66 h THR 23 Ca 0.34 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1y66 h THR 23 Cb 0.26 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1y66 h THR 23 CO -0.21 0.27 0.14 -0.61 0.37 0.00 0.00 175.52 175.47 1y66 h GLN 24 N 0.17 0.73 -0.22 6.66 5.75 -0.72 -0.51 115.11 126.97 1y66 h GLN 24 Ca 0.07 -0.16 -0.11 0.00 -0.15 0.00 0.00 58.65 58.30 1y66 h GLN 24 Cb 0.39 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1y66 h GLN 24 CO 0.01 0.70 -0.33 0.93 -2.65 0.00 0.00 178.83 177.49 1y66 h GLU 25 N 0.61 0.46 -0.31 1.69 4.39 -0.84 -1.07 114.58 119.51 1y66 h GLU 25 Ca 0.15 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1y66 h GLU 25 Cb 0.28 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1y66 h GLU 25 CO -0.00 0.74 -0.07 1.15 -1.16 0.00 0.00 179.01 179.66 1y66 h THR 26 N 0.40 1.28 -0.91 1.13 2.02 -0.86 -0.89 112.91 115.08 1y66 h THR 26 Ca 0.05 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.13 1y66 h THR 26 Cb 0.77 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 68.49 1y66 h THR 26 CO 0.06 0.36 0.60 -0.07 0.37 0.00 0.00 175.52 176.84 1y66 h LEU 27 N 0.38 1.02 -0.38 2.58 3.38 -0.83 0.48 115.31 121.94 1y66 h LEU 27 Ca 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1y66 h LEU 27 Cb 0.56 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1y66 h LEU 27 CO 0.03 0.73 0.08 0.45 0.09 0.00 0.00 178.44 179.82 1y66 h HIS 28 N 1.20 0.66 -0.55 1.13 3.86 -0.85 -1.03 115.15 119.57 1y66 h HIS 28 Ca 0.34 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 59.41 1y66 h HIS 28 Cb -0.10 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 1y66 h HIS 28 CO -0.01 0.64 0.12 1.49 0.86 0.00 0.00 177.93 181.04 1y66 h GLU 29 N 0.48 0.89 -0.22 2.45 4.81 -0.89 -1.28 114.58 120.82 1y66 h GLU 29 Ca 0.12 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1y66 h GLU 29 Cb 0.33 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1y66 h GLU 29 CO 0.00 0.84 0.14 -0.92 -0.73 0.00 0.00 179.01 178.34 1y66 h TYR 30 N 0.79 0.28 -0.82 0.92 3.20 -0.73 -1.24 116.97 119.36 1y66 h TYR 30 Ca 0.17 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1y66 h TYR 30 Cb 0.36 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 1y66 h TYR 30 CO 0.03 0.20 0.52 0.00 -1.64 0.00 0.00 178.16 177.27 1y66 h ALA 31 N 1.05 1.09 -0.43 1.82 0.00 -1.02 -0.07 119.26 121.70 1y66 h ALA 31 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1y66 h ALA 31 Cb -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1y66 h ALA 31 CO -0.02 0.33 0.15 0.37 0.00 0.00 0.00 179.25 180.08 1y66 h GLN 32 N 1.00 0.66 -0.24 0.00 4.15 -0.78 0.88 115.11 120.78 1y66 h GLN 32 Ca 0.34 -0.13 -0.12 0.00 0.77 0.00 0.00 58.65 59.51 1y66 h GLN 32 Cb 0.04 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.63 1y66 h GLN 32 CO -0.13 0.63 -0.30 0.87 -1.93 0.00 0.00 178.83 177.97 1y66 h LYS 33 N 0.56 0.63 -0.38 1.69 1.57 -0.80 -1.32 116.57 118.52 1y66 h LYS 33 Ca 0.14 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1y66 h LYS 33 Cb 0.23 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1y66 h LYS 33 CO -0.01 0.96 0.07 -0.07 -0.57 0.00 0.00 179.45 179.84 1y66 h LEU 34 N 0.34 0.52 -0.44 2.94 3.38 -0.96 -2.39 115.31 118.68 1y66 h LEU 34 Ca 0.03 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1y66 h LEU 34 Cb 0.87 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1y66 h LEU 34 CO 0.07 0.53 0.29 1.23 0.09 0.00 0.00 178.44 180.66 1y66 h GLY 35 N 0.79 0.62 1.14 0.83 0.00 -0.30 0.03 103.07 106.18 1y66 h GLY 35 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1y66 h GLY 35 CO -0.00 0.22 0.39 1.41 0.00 0.00 0.00 176.54 178.57 1y66 h LEU 36 N 0.59 1.01 -0.45 3.11 3.38 -0.86 0.14 115.31 122.24 1y66 h LEU 36 Ca 0.16 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1y66 h LEU 36 Cb -0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1y66 h LEU 36 CO -0.04 0.84 -0.05 -1.13 0.09 0.00 0.00 178.44 178.14 1y66 h ASN 37 N 1.11 0.82 -0.47 -0.43 -0.00 -0.94 -0.99 115.58 114.68 1y66 h ASN 37 Ca 0.27 -0.34 -0.11 0.00 -0.00 0.00 0.00 56.30 56.13 1y66 h ASN 37 Cb 0.08 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 38.17 1y66 h ASN 37 CO -0.04 0.96 -0.14 -0.61 -0.00 0.00 0.00 177.43 177.60 1y66 h GLN 38 N 0.66 0.92 -0.45 6.67 4.15 -0.56 -2.80 115.11 123.70 1y66 h GLN 38 Ca 0.12 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1y66 h GLN 38 Cb 0.57 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 1y66 h GLN 38 CO 0.03 1.02 0.28 1.96 -1.93 0.00 0.00 178.83 180.20 1y66 h GLN 39 N 0.76 0.59 -0.57 1.69 4.20 -0.49 -1.10 115.11 120.19 1y66 h GLN 39 Ca 0.11 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1y66 h GLN 39 Cb 0.70 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1y66 h GLN 39 CO 0.05 0.40 0.03 0.00 -0.67 0.00 0.00 178.83 178.64 1y66 h ALA 40 N 1.71 0.76 -0.00 3.87 0.00 -0.92 0.43 119.26 125.10 1y66 h ALA 40 Ca 0.16 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1y66 h ALA 40 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1y66 h ALA 40 CO -0.03 0.57 -0.86 0.97 0.00 0.00 0.00 179.25 179.90 1y66 h ILE 41 N 0.87 1.49 -0.69 0.00 6.09 -1.31 -1.66 117.51 122.31 1y66 h ILE 41 Ca 0.16 -2.59 -0.07 0.00 -1.37 0.00 0.00 64.86 60.99 1y66 h ILE 41 Cb 0.51 2.44 -0.03 0.00 0.47 0.00 0.00 36.82 40.21 1y66 h ILE 41 CO 0.02 0.75 0.15 -0.33 -3.07 0.00 0.00 178.15 175.68 1y66 h GLU 42 N 0.11 1.11 -0.66 2.19 5.08 -0.95 -2.39 114.58 119.07 1y66 h GLU 42 Ca -0.04 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 1y66 h GLU 42 Cb 1.48 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 1y66 h GLU 42 CO 0.13 0.99 0.12 1.96 -1.00 0.00 0.00 179.01 181.21 1y66 h GLN 43 N 1.05 1.08 -0.52 2.33 4.20 -0.69 -1.30 115.11 121.26 1y66 h GLN 43 Ca 0.21 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1y66 h GLN 43 Cb 0.39 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1y66 h GLN 43 CO 0.01 0.98 0.28 0.35 -0.67 0.00 0.00 178.83 179.78 1y66 h PHE 44 N 1.00 0.51 -0.02 2.96 3.57 -1.00 -2.05 116.94 121.91 1y66 h PHE 44 Ca 0.20 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.60 1y66 h PHE 44 Cb 0.42 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1y66 h PHE 44 CO 0.03 0.26 -0.56 0.74 -2.23 0.00 0.00 178.31 176.56 1y66 h PHE 45 N 0.54 0.09 0.00 0.41 0.04 -1.09 -2.24 116.94 114.69 1y66 h PHE 45 Ca 0.22 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1y66 h PHE 45 Cb 0.10 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1y66 h PHE 45 CO -0.09 0.61 0.00 0.00 -0.60 0.00 0.00 178.31 178.23 1y66 h ARG 46 N 0.06 0.00 0.00 1.51 3.08 -0.53 -1.73 114.38 116.76 1y66 h ARG 46 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1y66 h ARG 46 Cb 1.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 1y66 h ARG 46 CO 0.08 0.00 -0.04 0.93 -1.07 0.00 0.00 179.97 179.87 1y66 h GLU 47 N 0.00 0.00 0.00 0.04 5.08 -1.07 -2.07 114.58 116.56 1y66 h GLU 47 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1y66 h GLU 47 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1y66 h GLU 47 CO 0.00 0.04 0.00 1.19 -1.00 0.00 0.00 179.01 179.24 1y66 n PHE 48 N -3.65 0.76 -2.44 4.33 3.01 -0.65 -4.82 117.46 114.00 1y66 n PHE 48 Ca -0.03 0.28 -0.41 0.00 1.01 0.00 0.00 57.45 58.30 1y66 n PHE 48 Cb 0.14 -0.95 -0.04 0.00 -0.01 0.00 0.00 39.48 38.62 1y66 n PHE 48 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1y66 s GLU 49 N -3.23 4.53 0.00 -1.08 2.02 -0.78 -5.19 118.70 114.96 1y66 s GLU 49 Ca 0.06 1.80 0.00 0.00 0.02 0.00 0.00 54.97 56.85 1y66 s GLU 49 Cb 0.10 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1y66 s GLU 49 CO 0.44 -0.03 0.35 0.00 0.02 0.00 0.00 175.26 176.04