#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 0.06 -0.17 12.58 -4.23 -1.26 -5.16 115.64 117.47 2ay0 s THR 4 Ca 0.00 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 2ay0 s THR 4 Cb 0.00 -2.04 0.02 0.00 1.34 0.00 0.00 72.50 71.81 2ay0 s THR 4 CO 0.00 -0.27 -0.21 -0.89 -0.54 0.00 0.00 174.62 172.71 2ay0 s THR 5 N -4.03 2.08 0.09 3.99 2.01 -1.26 -5.12 115.64 113.40 2ay0 s THR 5 Ca 0.23 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.30 2ay0 s THR 5 Cb 0.05 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 2ay0 s THR 5 CO 0.03 0.54 0.21 -0.04 -0.69 0.00 0.00 174.62 174.67 2ay0 s MET 6 N 1.12 3.33 0.16 4.92 1.00 -1.26 -5.12 119.30 123.45 2ay0 s MET 6 Ca 0.01 -0.54 -0.21 0.00 0.00 0.00 0.00 55.69 54.95 2ay0 s MET 6 Cb -0.14 -2.95 -0.08 0.00 0.00 0.00 0.00 34.83 31.66 2ay0 s MET 6 CO -0.09 0.57 0.69 0.20 0.00 0.00 0.00 175.02 176.39 2ay0 s GLY 7 N -2.71 2.71 -0.19 -0.03 0.00 -1.26 -5.08 107.32 100.76 2ay0 s GLY 7 Ca 0.34 0.17 0.01 0.00 0.00 0.00 0.00 44.72 45.23 2ay0 s GLY 7 CO 0.27 0.58 -0.18 0.14 0.00 0.00 0.00 173.10 173.91 2ay0 s VAL 8 N -1.30 2.20 -0.12 1.40 1.01 -1.26 -5.12 120.40 117.22 2ay0 s VAL 8 Ca 0.37 -0.94 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 2ay0 s VAL 8 Cb -0.19 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 2ay0 s VAL 8 CO 0.22 0.49 0.78 -0.04 0.00 0.00 0.00 175.10 176.55 2ay0 s MET 9 N 1.30 4.36 -0.10 2.72 -1.94 -1.26 -5.05 119.30 119.33 2ay0 s MET 9 Ca 0.04 0.96 0.02 0.00 -1.71 0.00 0.00 55.69 55.00 2ay0 s MET 9 Cb -0.14 -3.52 0.02 0.00 2.01 0.00 0.00 34.83 33.20 2ay0 s MET 9 CO -0.11 -0.16 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.09 2ay0 s LEU 10 N 1.57 1.63 0.62 -0.03 1.43 -1.26 -5.13 118.68 117.50 2ay0 s LEU 10 Ca 0.38 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 2ay0 s LEU 10 Cb -0.17 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 2ay0 s LEU 10 CO 0.15 0.00 1.07 1.51 0.23 0.00 0.00 176.35 179.32 2ay0 s ASP 11 N 0.98 5.56 0.37 2.29 -4.77 -1.26 -4.83 116.67 115.01 2ay0 s ASP 11 Ca -0.08 1.83 0.07 0.00 -3.30 0.00 0.00 52.55 51.08 2ay0 s ASP 11 Cb -0.15 -2.53 0.74 0.00 -1.09 0.00 0.00 42.92 39.89 2ay0 s ASP 11 CO -0.01 -1.32 1.93 0.44 0.70 0.00 0.00 175.17 176.91 2ay0 h ASP 12 N 0.17 0.36 -0.70 2.11 3.32 -2.00 -1.94 116.42 117.74 2ay0 h ASP 12 Ca -0.46 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.53 2ay0 h ASP 12 Cb 1.22 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 2ay0 h ASP 12 CO 0.56 0.44 0.46 0.00 -1.72 0.00 0.00 179.24 178.98 2ay0 h ALA 13 N 1.61 0.88 -0.41 3.45 0.00 -1.99 -1.15 119.26 121.65 2ay0 h ALA 13 Ca 0.09 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2ay0 h ALA 13 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2ay0 h ALA 13 CO 0.01 0.31 -0.18 1.15 0.00 0.00 0.00 179.25 180.54 2ay0 h THR 14 N 0.95 1.28 -0.72 0.00 2.02 -1.75 -1.51 112.91 113.16 2ay0 h THR 14 Ca 0.26 -1.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 2ay0 h THR 14 Cb -0.11 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2ay0 h THR 14 CO -0.05 0.44 0.30 -0.09 0.37 0.00 0.00 175.52 176.49 2ay0 h ARG 15 N 0.66 1.07 -0.71 6.66 2.43 -1.18 0.88 114.38 124.19 2ay0 h ARG 15 Ca 0.09 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 2ay0 h ARG 15 Cb 0.73 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 2ay0 h ARG 15 CO 0.06 0.87 0.28 0.93 -1.51 0.00 0.00 179.97 180.60 2ay0 h GLU 16 N 1.03 1.06 -0.01 0.20 5.08 -1.11 -0.64 114.58 120.19 2ay0 h GLU 16 Ca 0.24 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2ay0 h GLU 16 Cb 0.19 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2ay0 h GLU 16 CO -0.02 0.88 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.77 2ay0 h ARG 17 N 1.01 -0.01 -0.41 2.33 2.43 -0.92 0.54 114.38 119.36 2ay0 h ARG 17 Ca 0.24 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.44 2ay0 h ARG 17 Cb 0.22 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2ay0 h ARG 17 CO -0.02 -0.00 0.20 0.82 -1.51 0.00 0.00 179.97 179.46 2ay0 h ILE 18 N -0.01 0.97 -0.80 1.20 2.04 -0.68 0.09 117.51 120.32 2ay0 h ILE 18 Ca 0.00 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2ay0 h ILE 18 Cb 0.01 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2ay0 h ILE 18 CO -0.01 0.07 0.34 0.50 0.00 0.00 0.00 178.15 179.05 2ay0 h LYS 19 N 0.40 1.18 -0.30 2.37 1.63 -0.95 -0.28 116.57 120.62 2ay0 h LYS 19 Ca 0.17 -0.20 -0.10 0.00 -0.85 0.00 0.00 60.65 59.67 2ay0 h LYS 19 Cb 0.09 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 2ay0 h LYS 19 CO -0.13 0.94 -0.22 1.03 -3.45 0.00 0.00 179.45 177.63 2ay0 h SER 20 N 1.15 0.71 -0.45 4.20 0.87 -0.56 -0.45 113.55 119.02 2ay0 h SER 20 Ca 0.27 -0.44 -0.11 0.00 -1.23 0.00 0.00 61.79 60.28 2ay0 h SER 20 Cb 0.19 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2ay0 h SER 20 CO -0.03 1.00 -0.12 0.00 -0.53 0.00 0.00 176.83 177.16 2ay0 h ALA 21 N 0.73 0.85 0.01 6.23 0.00 -0.87 -2.72 119.26 123.50 2ay0 h ALA 21 Ca 0.06 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2ay0 h ALA 21 Cb 0.77 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2ay0 h ALA 21 CO 0.06 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 179.95 2ay0 h ALA 22 N 1.03 -0.01 -1.00 0.00 0.00 -1.00 -3.33 119.26 114.95 2ay0 h ALA 22 Ca 0.13 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2ay0 h ALA 22 Cb 0.66 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2ay0 h ALA 22 CO 0.05 -0.24 0.66 1.79 0.00 0.00 0.00 179.25 181.50 2ay0 h THR 23 N -0.54 1.17 0.00 0.00 1.35 -1.08 -1.36 112.91 112.45 2ay0 h THR 23 Ca -0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2ay0 h THR 23 Cb 0.53 -0.20 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 2ay0 h THR 23 CO 0.00 0.23 0.00 0.08 -0.25 0.00 0.00 175.52 175.58 2ay0 h ARG 24 N 1.27 0.00 -0.11 4.72 0.11 -1.58 -1.39 114.38 117.39 2ay0 h ARG 24 Ca 0.40 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.45 2ay0 h ARG 24 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2ay0 h ARG 24 CO -0.12 0.00 -0.10 0.44 0.10 0.00 0.00 179.97 180.29 2ay0 n ILE 25 N -2.67 2.13 -2.75 0.08 -5.35 -0.91 -4.99 119.36 104.90 2ay0 n ILE 25 Ca -0.01 -2.41 -0.20 0.00 -0.27 0.00 0.00 62.75 59.86 2ay0 n ILE 25 Cb 0.14 -0.25 0.02 0.00 -1.74 0.00 0.00 39.64 37.80 2ay0 n ILE 25 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2ay0 n ASP 26 N -1.12 -5.66 -4.49 7.28 8.00 -0.52 -5.00 116.55 115.04 2ay0 n ASP 26 Ca 0.20 -0.18 -0.31 0.00 0.71 0.00 0.00 54.79 55.21 2ay0 n ASP 26 Cb 0.76 -4.56 -0.07 0.00 -0.02 0.00 0.00 41.12 37.23 2ay0 n ASP 26 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ay0 s ARG 27 N -5.37 2.14 0.26 -1.24 1.81 -0.56 -5.02 118.95 110.97 2ay0 s ARG 27 Ca 0.18 -2.37 0.10 0.00 -1.72 0.00 0.00 55.73 51.93 2ay0 s ARG 27 Cb -0.08 -1.14 -0.05 0.00 -0.45 0.00 0.00 34.95 33.24 2ay0 s ARG 27 CO 0.22 -0.46 -0.10 0.95 -0.68 0.00 0.00 175.30 175.23 2ay0 s THR 28 N -3.01 3.02 0.24 0.02 -4.23 -1.26 -3.47 115.64 106.94 2ay0 s THR 28 Ca 0.09 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 58.46 2ay0 s THR 28 Cb 0.01 -2.58 0.23 0.00 1.34 0.00 0.00 72.50 71.49 2ay0 s THR 28 CO 0.06 -0.34 1.67 -0.65 -0.54 0.00 0.00 174.62 174.82 2ay0 h PRO 29 N 2.20 0.20 -0.90 3.99 0.11 -1.91 -1.37 132.00 134.32 2ay0 h PRO 29 Ca -0.43 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 2ay0 h PRO 29 Cb 1.25 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2ay0 h PRO 29 CO 0.59 0.13 0.56 0.45 -0.21 0.00 0.00 178.00 179.52 2ay0 h HIS 30 N 0.21 1.16 -0.27 0.65 3.86 -1.97 -1.87 115.15 116.92 2ay0 h HIS 30 Ca 0.39 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.62 2ay0 h HIS 30 Cb 0.66 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 2ay0 h HIS 30 CO -0.31 0.76 0.15 2.35 0.86 0.00 0.00 177.93 181.75 2ay0 h TRP 31 N 1.23 0.29 -0.74 2.45 7.01 -1.82 -2.18 115.95 122.20 2ay0 h TRP 31 Ca 0.32 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.30 2ay0 h TRP 31 Cb -0.08 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 2ay0 h TRP 31 CO 0.00 0.17 0.33 1.25 -2.79 0.00 0.00 178.44 177.40 2ay0 h LEU 32 N 0.32 0.99 -0.39 0.65 7.12 -0.83 -0.75 115.31 122.42 2ay0 h LEU 32 Ca 0.11 -0.15 -0.13 0.00 0.13 0.00 0.00 57.88 57.84 2ay0 h LEU 32 Cb -0.00 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 39.87 2ay0 h LEU 32 CO -0.05 0.87 -0.25 0.40 -0.13 0.00 0.00 178.44 179.28 2ay0 h ILE 33 N 1.05 1.28 -0.51 4.05 2.04 -1.24 0.70 117.51 124.87 2ay0 h ILE 33 Ca 0.25 -1.40 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 2ay0 h ILE 33 Cb 0.16 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2ay0 h ILE 33 CO -0.03 0.47 0.14 0.11 0.00 0.00 0.00 178.15 178.84 2ay0 h LYS 34 N 0.66 0.82 -0.35 2.37 1.79 -1.17 -1.70 116.57 118.98 2ay0 h LYS 34 Ca 0.08 -0.19 0.06 0.00 -2.18 0.00 0.00 60.65 58.42 2ay0 h LYS 34 Cb 0.82 -0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.31 2ay0 h LYS 34 CO 0.07 0.77 0.00 1.96 -1.08 0.00 0.00 179.45 181.18 2ay0 h GLN 35 N 0.71 0.10 -0.17 3.15 1.08 -0.76 -1.23 115.11 117.99 2ay0 h GLN 35 Ca 0.16 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.41 2ay0 h GLN 35 Cb 0.32 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.67 2ay0 h GLN 35 CO -0.00 0.07 -0.19 0.00 -0.95 0.00 0.00 178.83 177.75 2ay0 h ALA 36 N 1.30 -0.10 -0.34 3.87 0.00 -0.73 0.86 119.26 124.12 2ay0 h ALA 36 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2ay0 h ALA 36 Cb 0.23 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2ay0 h ALA 36 CO -0.28 -0.64 0.22 0.82 0.00 0.00 0.00 179.25 179.37 2ay0 h ILE 37 N -0.23 1.10 -0.25 0.00 2.04 -1.02 -0.73 117.51 118.44 2ay0 h ILE 37 Ca 0.11 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 2ay0 h ILE 37 Cb 0.39 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2ay0 h ILE 37 CO -0.30 0.10 -0.18 -0.26 0.00 0.00 0.00 178.15 177.51 2ay0 h PHE 38 N 0.46 0.65 -0.52 1.37 -1.00 -1.06 -1.33 116.94 115.50 2ay0 h PHE 38 Ca 0.12 -0.18 0.10 0.00 2.81 0.00 0.00 57.97 60.83 2ay0 h PHE 38 Cb -0.02 -0.14 -0.08 0.00 3.61 0.00 0.00 35.95 39.31 2ay0 h PHE 38 CO -0.05 0.85 0.03 1.03 -1.61 0.00 0.00 178.31 178.57 2ay0 h SER 39 N 0.27 -0.16 0.06 2.17 0.87 -0.77 0.68 113.55 116.67 2ay0 h SER 39 Ca 0.05 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2ay0 h SER 39 Cb 0.71 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2ay0 h SER 39 CO 0.05 -0.05 -0.03 0.22 -0.53 0.00 0.00 176.83 176.49 2ay0 h TYR 40 N 0.15 -0.08 -0.40 2.24 3.20 -0.98 -2.35 116.97 118.75 2ay0 h TYR 40 Ca 0.27 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 2ay0 h TYR 40 Cb 0.40 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2ay0 h TYR 40 CO -0.30 0.04 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.20 2ay0 h LEU 41 N -0.18 0.60 0.23 2.82 3.38 -0.98 -2.75 115.31 118.43 2ay0 h LEU 41 Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2ay0 h LEU 41 Cb 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2ay0 h LEU 41 CO 0.01 0.67 -0.22 -0.33 0.09 0.00 0.00 178.44 178.66 2ay0 h GLU 42 N 0.60 -0.46 -0.68 1.13 5.08 -0.75 -2.87 114.58 116.63 2ay0 h GLU 42 Ca 0.12 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.70 2ay0 h GLU 42 Cb 0.38 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2ay0 h GLU 42 CO 0.01 -0.31 0.48 1.96 -1.00 0.00 0.00 179.01 180.15 2ay0 h GLN 43 N -0.48 0.07 0.00 2.33 4.20 -1.14 -3.51 115.11 116.57 2ay0 h GLN 43 Ca -0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2ay0 h GLN 43 Cb 0.45 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2ay0 h GLN 43 CO -0.05 0.05 0.00 1.28 -0.67 0.00 0.00 178.83 179.44