#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ay0 s THR 4 N 0.00 0.09 -0.13 12.58 -4.23 -1.26 -5.17 115.64 117.52 2ay0 s THR 4 Ca 0.00 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 2ay0 s THR 4 Cb 0.00 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 72.08 2ay0 s THR 4 CO 0.00 -0.39 -0.21 -0.89 -0.54 0.00 0.00 174.62 172.58 2ay0 s THR 5 N -3.95 2.19 0.07 3.99 2.01 -1.26 -5.12 115.64 113.57 2ay0 s THR 5 Ca 0.15 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.26 2ay0 s THR 5 Cb 0.04 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 2ay0 s THR 5 CO -0.02 0.55 -0.07 -0.32 -0.69 0.00 0.00 174.62 174.07 2ay0 s MET 6 N 0.64 2.35 0.29 4.92 0.00 -1.26 -5.13 119.30 121.11 2ay0 s MET 6 Ca -0.11 -0.89 -0.20 0.00 0.00 0.00 0.00 55.69 54.49 2ay0 s MET 6 Cb -0.16 -2.42 -0.09 0.00 0.00 0.00 0.00 34.83 32.16 2ay0 s MET 6 CO 0.02 0.54 0.79 0.20 0.00 0.00 0.00 175.02 176.58 2ay0 s GLY 7 N -2.01 2.56 -0.11 2.11 0.00 -1.26 -5.08 107.32 103.53 2ay0 s GLY 7 Ca 0.21 0.23 0.00 0.00 0.00 0.00 0.00 44.72 45.16 2ay0 s GLY 7 CO 0.13 0.56 -0.09 0.54 0.00 0.00 0.00 173.10 174.24 2ay0 s VAL 8 N -1.72 1.12 -0.17 1.40 0.11 -1.26 -5.12 120.40 114.76 2ay0 s VAL 8 Ca 0.49 -0.37 -0.24 0.00 -2.93 0.00 0.00 61.98 58.93 2ay0 s VAL 8 Cb -0.15 -1.10 -0.02 0.00 -1.53 0.00 0.00 36.38 33.59 2ay0 s VAL 8 CO 0.20 0.38 0.79 -0.04 -3.33 0.00 0.00 175.10 173.10 2ay0 s MET 9 N 1.48 4.28 -0.07 1.54 1.00 -1.26 -5.05 119.30 121.23 2ay0 s MET 9 Ca 0.01 0.94 0.02 0.00 0.00 0.00 0.00 55.69 56.67 2ay0 s MET 9 Cb -0.13 -3.57 0.01 0.00 0.00 0.00 0.00 34.83 31.14 2ay0 s MET 9 CO -0.06 -0.30 -0.13 -0.51 0.00 0.00 0.00 175.02 174.01 2ay0 s LEU 10 N 2.08 1.67 0.82 -0.03 1.43 -1.26 -5.13 118.68 118.26 2ay0 s LEU 10 Ca 0.37 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 2ay0 s LEU 10 Cb -0.16 -0.86 0.08 0.00 0.03 0.00 0.00 46.19 45.28 2ay0 s LEU 10 CO 0.12 0.04 1.10 1.51 0.23 0.00 0.00 176.35 179.35 2ay0 s ASP 11 N 0.64 4.28 0.23 2.29 1.47 -1.26 -4.84 116.67 119.48 2ay0 s ASP 11 Ca -0.15 1.28 -0.06 0.00 1.18 0.00 0.00 52.55 54.79 2ay0 s ASP 11 Cb -0.16 -1.99 0.21 0.00 -0.34 0.00 0.00 42.92 40.64 2ay0 s ASP 11 CO 0.04 -2.10 1.81 0.44 0.68 0.00 0.00 175.17 176.04 2ay0 h ASP 12 N -1.18 1.07 -0.46 2.11 3.32 -2.01 -0.92 116.42 118.36 2ay0 h ASP 12 Ca -0.48 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 56.44 2ay0 h ASP 12 Cb 1.28 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 2ay0 h ASP 12 CO 0.59 0.93 0.27 0.00 -1.72 0.00 0.00 179.24 179.32 2ay0 h ALA 13 N 1.22 0.58 -0.37 3.45 0.00 -1.99 0.28 119.26 122.43 2ay0 h ALA 13 Ca 0.27 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2ay0 h ALA 13 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ay0 h ALA 13 CO -0.03 -0.03 -0.07 1.15 0.00 0.00 0.00 179.25 180.27 2ay0 h THR 14 N 0.55 1.27 -0.89 0.00 2.02 -1.86 -1.84 112.91 112.17 2ay0 h THR 14 Ca 0.18 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 2ay0 h THR 14 Cb 0.01 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 2ay0 h THR 14 CO -0.08 0.38 0.48 -0.09 0.37 0.00 0.00 175.52 176.58 2ay0 h ARG 15 N 0.51 1.24 -0.32 6.66 2.43 -0.79 -0.48 114.38 123.63 2ay0 h ARG 15 Ca 0.10 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2ay0 h ARG 15 Cb 0.57 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2ay0 h ARG 15 CO 0.03 0.90 0.08 0.93 -1.51 0.00 0.00 179.97 180.40 2ay0 h GLU 16 N 1.24 0.51 -0.41 0.20 5.08 -0.85 0.24 114.58 120.58 2ay0 h GLU 16 Ca 0.31 -0.12 0.08 0.00 -1.00 0.00 0.00 59.36 58.63 2ay0 h GLU 16 Cb 0.03 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 2ay0 h GLU 16 CO -0.05 0.58 -0.07 0.00 -1.00 0.00 0.00 179.01 178.47 2ay0 h ARG 17 N 0.36 0.03 0.35 2.33 3.08 -0.98 0.99 114.38 120.54 2ay0 h ARG 17 Ca 0.10 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2ay0 h ARG 17 Cb 0.30 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2ay0 h ARG 17 CO 0.00 0.02 -0.17 0.82 -1.07 0.00 0.00 179.97 179.57 2ay0 h ILE 18 N 0.03 0.66 -0.69 2.04 2.04 -0.91 0.08 117.51 120.77 2ay0 h ILE 18 Ca 0.20 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.08 2ay0 h ILE 18 Cb 0.30 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2ay0 h ILE 18 CO -0.40 0.00 0.43 0.11 0.00 0.00 0.00 178.15 178.29 2ay0 h LYS 19 N -0.47 0.81 -0.14 2.37 1.57 -0.69 -1.19 116.57 118.83 2ay0 h LYS 19 Ca -0.05 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2ay0 h LYS 19 Cb 0.36 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2ay0 h LYS 19 CO 0.08 0.53 0.02 0.77 -0.57 0.00 0.00 179.45 180.28 2ay0 h SER 20 N 0.83 0.22 -0.58 0.86 0.02 -0.70 -1.46 113.55 112.74 2ay0 h SER 20 Ca 0.28 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2ay0 h SER 20 Cb 0.03 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2ay0 h SER 20 CO -0.11 0.43 0.36 0.00 -1.14 0.00 0.00 176.83 176.37 2ay0 h ALA 21 N 0.80 0.74 -0.44 3.77 0.00 -0.79 -1.58 119.26 121.76 2ay0 h ALA 21 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2ay0 h ALA 21 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2ay0 h ALA 21 CO 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 179.25 179.21 2ay0 h ALA 22 N 1.24 0.62 -0.81 0.00 0.00 -1.21 -3.12 119.26 115.99 2ay0 h ALA 22 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ay0 h ALA 22 Cb -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2ay0 h ALA 22 CO -0.08 0.54 0.50 1.15 0.00 0.00 0.00 179.25 181.37 2ay0 h THR 23 N 0.72 1.22 -0.90 0.00 2.02 -0.96 -0.30 112.91 114.71 2ay0 h THR 23 Ca 0.11 -0.45 0.23 0.00 0.77 0.00 0.00 66.41 67.07 2ay0 h THR 23 Cb 0.70 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 2ay0 h THR 23 CO 0.05 0.22 0.62 0.03 0.37 0.00 0.00 175.52 176.82 2ay0 h ARG 24 N 1.10 0.21 -0.22 6.66 3.08 -1.23 -2.24 114.38 121.74 2ay0 h ARG 24 Ca 0.29 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 2ay0 h ARG 24 Cb -0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2ay0 h ARG 24 CO -0.06 0.14 -0.02 0.44 -1.07 0.00 0.00 179.97 179.40 2ay0 n ILE 25 N -4.41 2.26 -3.82 2.04 -5.35 -0.85 -4.98 119.36 104.24 2ay0 n ILE 25 Ca 0.19 -2.12 -0.26 0.00 -0.27 0.00 0.00 62.75 60.29 2ay0 n ILE 25 Cb 0.83 -0.27 0.03 0.00 -1.74 0.00 0.00 39.64 38.49 2ay0 n ILE 25 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2ay0 n ASP 26 N -0.81 -2.95 -4.13 7.28 2.03 -0.84 -5.00 116.55 112.13 2ay0 n ASP 26 Ca 0.22 -0.81 -0.25 0.00 0.52 0.00 0.00 54.79 54.48 2ay0 n ASP 26 Cb 0.87 -3.92 -0.08 0.00 -0.72 0.00 0.00 41.12 37.26 2ay0 n ASP 26 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2ay0 s ARG 27 N -6.33 1.87 0.24 -0.67 1.81 -0.18 -5.02 118.95 110.67 2ay0 s ARG 27 Ca 0.33 -2.13 0.07 0.00 -1.72 0.00 0.00 55.73 52.29 2ay0 s ARG 27 Cb -0.17 -0.58 -0.04 0.00 -0.45 0.00 0.00 34.95 33.71 2ay0 s ARG 27 CO 0.82 -0.45 0.16 0.95 -0.68 0.00 0.00 175.30 176.11 2ay0 s THR 28 N -3.25 4.35 0.24 0.02 -4.23 -1.26 -3.72 115.64 107.79 2ay0 s THR 28 Ca 0.26 -1.40 -0.07 0.00 -1.18 0.00 0.00 61.69 59.29 2ay0 s THR 28 Cb 0.03 -3.32 0.28 0.00 1.34 0.00 0.00 72.50 70.83 2ay0 s THR 28 CO 0.15 -0.31 1.63 -0.65 -0.54 0.00 0.00 174.62 174.90 2ay0 h PRO 29 N 1.69 0.08 -0.79 3.99 0.11 -1.91 -0.87 132.00 134.31 2ay0 h PRO 29 Ca -0.48 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.67 2ay0 h PRO 29 Cb 1.23 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 2ay0 h PRO 29 CO 0.61 0.06 0.49 0.45 -0.21 0.00 0.00 178.00 179.40 2ay0 h HIS 30 N 0.09 0.91 0.00 0.65 3.86 -1.98 -0.51 115.15 118.18 2ay0 h HIS 30 Ca 0.41 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.65 2ay0 h HIS 30 Cb 0.71 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2ay0 h HIS 30 CO -0.45 0.49 -0.04 2.35 0.86 0.00 0.00 177.93 181.15 2ay0 h TRP 31 N 0.93 -0.10 -0.41 2.45 7.01 -1.73 -2.21 115.95 121.88 2ay0 h TRP 31 Ca 0.33 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.37 2ay0 h TRP 31 Cb 0.09 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 2ay0 h TRP 31 CO -0.04 -0.07 0.20 1.25 -2.79 0.00 0.00 178.44 177.00 2ay0 h LEU 32 N -0.07 0.29 -0.57 0.65 7.12 -0.60 -0.59 115.31 121.54 2ay0 h LEU 32 Ca 0.02 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 2ay0 h LEU 32 Cb 0.09 -0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.17 2ay0 h LEU 32 CO -0.04 0.21 0.30 0.40 -0.13 0.00 0.00 178.44 179.18 2ay0 h ILE 33 N 0.41 1.20 -0.62 4.05 2.04 -1.04 0.10 117.51 123.66 2ay0 h ILE 33 Ca 0.18 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 2ay0 h ILE 33 Cb 0.09 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 2ay0 h ILE 33 CO -0.13 0.22 0.17 0.11 0.00 0.00 0.00 178.15 178.52 2ay0 h LYS 34 N 0.77 0.97 -0.65 2.37 1.79 -1.02 -1.72 116.57 119.08 2ay0 h LYS 34 Ca 0.20 -0.22 0.05 0.00 -2.18 0.00 0.00 60.65 58.50 2ay0 h LYS 34 Cb 0.08 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.54 2ay0 h LYS 34 CO -0.03 0.87 0.36 0.37 -1.08 0.00 0.00 179.45 179.95 2ay0 h GLN 35 N 0.89 0.66 -0.54 3.15 5.75 -0.64 -1.15 115.11 123.22 2ay0 h GLN 35 Ca 0.20 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 2ay0 h GLN 35 Cb 0.32 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.70 2ay0 h GLN 35 CO -0.00 0.44 0.31 0.00 -2.65 0.00 0.00 178.83 176.93 2ay0 h ALA 36 N 1.33 0.69 -0.18 3.38 0.00 -0.51 -0.87 119.26 123.11 2ay0 h ALA 36 Ca 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2ay0 h ALA 36 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2ay0 h ALA 36 CO -0.17 0.19 0.08 0.82 0.00 0.00 0.00 179.25 180.17 2ay0 h ILE 37 N 0.73 1.15 -0.36 0.00 2.04 -0.91 -1.13 117.51 119.03 2ay0 h ILE 37 Ca 0.19 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 2ay0 h ILE 37 Cb 0.01 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2ay0 h ILE 37 CO -0.03 0.14 -0.13 -0.26 0.00 0.00 0.00 178.15 177.87 2ay0 h PHE 38 N 0.15 0.82 -0.67 1.37 0.04 -1.10 -0.98 116.94 116.57 2ay0 h PHE 38 Ca 0.06 -0.19 0.11 0.00 2.80 0.00 0.00 57.97 60.75 2ay0 h PHE 38 Cb 0.15 -0.20 -0.08 0.00 2.20 0.00 0.00 35.95 38.03 2ay0 h PHE 38 CO -0.02 0.89 0.27 1.03 -0.60 0.00 0.00 178.31 179.88 2ay0 h SER 39 N 0.51 0.28 -0.38 2.17 0.87 -1.14 -1.51 113.55 114.35 2ay0 h SER 39 Ca 0.09 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 2ay0 h SER 39 Cb 0.65 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2ay0 h SER 39 CO 0.04 0.15 0.06 0.22 -0.53 0.00 0.00 176.83 176.77 2ay0 h TYR 40 N 0.45 0.67 -0.83 2.24 3.20 -0.85 -2.07 116.97 119.78 2ay0 h TYR 40 Ca 0.34 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 2ay0 h TYR 40 Cb 0.44 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 2ay0 h TYR 40 CO -0.16 0.67 0.39 -0.07 -1.64 0.00 0.00 178.16 177.35 2ay0 h LEU 41 N 0.47 1.10 -0.70 2.82 3.38 -0.88 -2.14 115.31 119.36 2ay0 h LEU 41 Ca 0.11 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2ay0 h LEU 41 Cb 0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2ay0 h LEU 41 CO 0.01 0.93 -0.05 -0.33 0.09 0.00 0.00 178.44 179.09 2ay0 h GLU 42 N 1.19 0.95 -0.44 1.13 5.08 -1.16 -3.03 114.58 118.30 2ay0 h GLU 42 Ca 0.28 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2ay0 h GLU 42 Cb 0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2ay0 h GLU 42 CO -0.03 0.97 -0.15 1.96 -1.00 0.00 0.00 179.01 180.75 2ay0 h GLN 43 N 0.87 0.83 -5.03 2.33 7.50 -1.08 -3.34 115.11 117.18 2ay0 h GLN 43 Ca 0.15 -0.30 -0.43 0.00 0.50 0.00 0.00 58.65 58.57 2ay0 h GLN 43 Cb 0.57 -0.05 0.02 0.00 0.05 0.00 0.00 27.48 28.07 2ay0 h GLN 43 CO 0.03 0.93 1.38 1.28 -1.50 0.00 0.00 178.83 180.95 2ay0 n LEU 44 N -4.14 2.94 0.00 1.46 4.77 -0.83 -5.11 117.00 116.08 2ay0 n LEU 44 Ca 0.01 -2.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 2ay0 n LEU 44 Cb 0.40 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 2ay0 n LEU 44 CO 0.44 -1.60 0.00 -1.84 -1.33 0.00 0.00 177.39 173.06