#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 2.24 -0.21 1.09 -4.23 -1.26 -5.14 115.64 108.14 2ay0 s THR 4 Ca 0.00 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2ay0 s THR 4 Cb 0.00 -2.90 0.02 0.00 1.34 0.00 0.00 72.50 70.96 2ay0 s THR 4 CO 0.00 -0.07 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.97 2ay0 s THR 5 N -2.63 2.37 0.31 3.99 2.01 -1.26 -5.13 115.64 115.31 2ay0 s THR 5 Ca 0.36 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.43 2ay0 s THR 5 Cb 0.05 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 2ay0 s THR 5 CO 0.19 0.39 0.33 0.00 -0.69 0.00 0.00 174.62 174.84 2ay0 s MET 6 N 1.29 2.93 -0.11 4.92 0.00 -1.26 -5.10 119.30 121.98 2ay0 s MET 6 Ca 0.02 -1.13 -0.10 0.00 0.00 0.00 0.00 55.69 54.49 2ay0 s MET 6 Cb -0.15 -2.62 -0.05 0.00 0.00 0.00 0.00 34.83 32.02 2ay0 s MET 6 CO -0.09 0.16 0.21 0.20 0.00 0.00 0.00 175.02 175.50 2ay0 s GLY 7 N -4.02 2.22 -0.21 3.16 0.00 -1.26 -5.07 107.32 102.14 2ay0 s GLY 7 Ca 0.40 -0.53 -0.00 0.00 0.00 0.00 0.00 44.72 44.58 2ay0 s GLY 7 CO 0.28 -0.13 -0.13 0.14 0.00 0.00 0.00 173.10 173.26 2ay0 s VAL 8 N -0.75 2.52 -0.00 1.40 1.01 -1.26 -5.10 120.40 118.22 2ay0 s VAL 8 Ca 0.16 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 2ay0 s VAL 8 Cb -0.13 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2ay0 s VAL 8 CO 0.05 0.37 0.94 -0.04 0.00 0.00 0.00 175.10 176.43 2ay0 s MET 9 N 1.31 4.55 -0.08 2.72 1.00 -1.26 -5.04 119.30 122.51 2ay0 s MET 9 Ca 0.02 1.36 0.01 0.00 0.00 0.00 0.00 55.69 57.08 2ay0 s MET 9 Cb -0.15 -3.45 0.02 0.00 0.00 0.00 0.00 34.83 31.25 2ay0 s MET 9 CO -0.08 -0.02 -0.08 -0.51 0.00 0.00 0.00 175.02 174.33 2ay0 s LEU 10 N 0.92 1.34 0.67 -0.03 1.43 -1.26 -5.11 118.68 116.64 2ay0 s LEU 10 Ca 0.50 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 53.22 2ay0 s LEU 10 Cb -0.21 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.28 2ay0 s LEU 10 CO 0.27 -0.05 1.07 1.51 0.23 0.00 0.00 176.35 179.38 2ay0 s ASP 11 N 1.19 5.32 0.28 2.29 -4.77 -1.26 -4.79 116.67 114.92 2ay0 s ASP 11 Ca -0.05 1.77 -0.03 0.00 -3.30 0.00 0.00 52.55 50.94 2ay0 s ASP 11 Cb -0.14 -2.52 0.38 0.00 -1.09 0.00 0.00 42.92 39.55 2ay0 s ASP 11 CO -0.02 -1.48 1.88 0.44 0.70 0.00 0.00 175.17 176.69 2ay0 h ASP 12 N -0.30 0.90 -0.23 2.11 3.32 -2.00 -0.56 116.42 119.67 2ay0 h ASP 12 Ca -0.45 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 56.54 2ay0 h ASP 12 Cb 1.22 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 2ay0 h ASP 12 CO 0.56 0.77 -0.03 0.00 -1.72 0.00 0.00 179.24 178.82 2ay0 h ALA 13 N 1.37 0.18 -0.47 3.45 0.00 -1.99 -1.17 119.26 120.63 2ay0 h ALA 13 Ca 0.24 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 2ay0 h ALA 13 Cb 0.10 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2ay0 h ALA 13 CO -0.03 -0.45 -0.12 1.15 0.00 0.00 0.00 179.25 179.80 2ay0 h THR 14 N 0.04 1.27 -0.84 0.00 2.02 -1.70 -2.14 112.91 111.56 2ay0 h THR 14 Ca 0.11 -1.26 0.01 0.00 0.77 0.00 0.00 66.41 66.04 2ay0 h THR 14 Cb 0.15 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2ay0 h THR 14 CO -0.20 0.43 0.56 -0.09 0.37 0.00 0.00 175.52 176.58 2ay0 h ARG 15 N 0.76 1.10 -0.17 6.66 2.43 -1.03 -0.50 114.38 123.63 2ay0 h ARG 15 Ca 0.12 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2ay0 h ARG 15 Cb 0.68 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2ay0 h ARG 15 CO 0.05 0.73 -0.19 0.93 -1.51 0.00 0.00 179.97 179.98 2ay0 h GLU 16 N 1.13 0.29 -0.01 0.20 5.08 -1.03 -1.66 114.58 118.58 2ay0 h GLU 16 Ca 0.31 -0.08 -0.24 0.00 -1.00 0.00 0.00 59.36 58.34 2ay0 h GLU 16 Cb -0.13 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.10 2ay0 h GLU 16 CO -0.07 0.47 -0.97 -0.09 -1.00 0.00 0.00 179.01 177.36 2ay0 h ARG 17 N 0.27 0.56 0.01 2.33 2.43 -0.90 -1.68 114.38 117.40 2ay0 h ARG 17 Ca 0.05 -0.58 -0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2ay0 h ARG 17 Cb 0.49 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2ay0 h ARG 17 CO 0.03 1.20 -0.00 0.82 -1.51 0.00 0.00 179.97 180.51 2ay0 h ILE 18 N 0.32 1.02 -0.89 1.20 2.04 -1.03 -0.05 117.51 120.12 2ay0 h ILE 18 Ca -0.10 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2ay0 h ILE 18 Cb 1.61 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 2ay0 h ILE 18 CO 0.18 0.02 0.46 0.50 0.00 0.00 0.00 178.15 179.31 2ay0 h LYS 19 N -0.04 1.25 -0.13 2.37 1.63 -1.26 0.14 116.57 120.52 2ay0 h LYS 19 Ca -0.00 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 59.59 2ay0 h LYS 19 Cb 0.04 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 31.43 2ay0 h LYS 19 CO 0.00 0.93 -0.11 1.03 -3.45 0.00 0.00 179.45 177.86 2ay0 h SER 20 N 1.25 0.32 -0.64 4.20 0.87 -1.29 -1.60 113.55 116.66 2ay0 h SER 20 Ca 0.31 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 2ay0 h SER 20 Cb 0.06 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2ay0 h SER 20 CO -0.05 0.72 0.36 0.00 -0.53 0.00 0.00 176.83 177.33 2ay0 h ALA 21 N 0.62 0.82 -0.62 6.23 0.00 -0.74 -0.74 119.26 124.82 2ay0 h ALA 21 Ca 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2ay0 h ALA 21 Cb 0.62 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2ay0 h ALA 21 CO 0.03 0.32 0.25 0.00 0.00 0.00 0.00 179.25 179.85 2ay0 h ALA 22 N 1.18 0.80 -0.47 0.00 0.00 -0.74 -2.69 119.26 117.34 2ay0 h ALA 22 Ca 0.23 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2ay0 h ALA 22 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2ay0 h ALA 22 CO -0.04 0.42 0.03 1.15 0.00 0.00 0.00 179.25 180.81 2ay0 h THR 23 N 0.86 1.23 -0.79 0.00 2.02 -1.03 0.18 112.91 115.38 2ay0 h THR 23 Ca 0.21 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 2ay0 h THR 23 Cb 0.20 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 2ay0 h THR 23 CO -0.02 0.32 0.48 -0.09 0.37 0.00 0.00 175.52 176.59 2ay0 h ARG 24 N 0.71 1.07 -0.68 6.66 2.43 -0.83 -2.75 114.38 121.00 2ay0 h ARG 24 Ca 0.15 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2ay0 h ARG 24 Cb 0.39 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2ay0 h ARG 24 CO 0.01 0.75 0.00 0.44 -1.51 0.00 0.00 179.97 179.66 2ay0 n ILE 25 N -4.38 1.64 -3.65 1.20 -5.35 -1.06 -4.95 119.36 102.81 2ay0 n ILE 25 Ca 0.08 -1.13 -0.24 0.00 -0.27 0.00 0.00 62.75 61.19 2ay0 n ILE 25 Cb 0.06 0.19 0.07 0.00 -1.74 0.00 0.00 39.64 38.22 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 1.25 -4.92 -2.42 7.28 2.03 -0.86 -5.01 116.55 113.91 2ay0 n ASP 26 Ca 0.26 -0.63 -0.10 0.00 0.52 0.00 0.00 54.79 54.83 2ay0 n ASP 26 Cb 0.83 -4.71 -0.03 0.00 -0.72 0.00 0.00 41.12 36.50 2ay0 n ASP 26 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2ay0 n ARG 27 N -4.74 0.76 -4.33 -0.67 5.12 0.57 -5.02 116.66 108.35 2ay0 n ARG 27 Ca -0.06 -1.40 -0.24 0.00 -1.93 0.00 0.00 57.85 54.23 2ay0 n ARG 27 Cb 0.58 0.78 -0.08 0.00 -1.16 0.00 0.00 32.46 32.58 2ay0 n ARG 27 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2ay0 s THR 28 N -2.19 2.94 0.23 0.55 -4.23 -1.26 -3.79 115.64 107.89 2ay0 s THR 28 Ca 0.09 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.51 2ay0 s THR 28 Cb 0.00 -2.73 0.21 0.00 1.34 0.00 0.00 72.50 71.32 2ay0 s THR 28 CO 0.06 -0.30 1.70 -0.65 -0.54 0.00 0.00 174.62 174.88 2ay0 h PRO 29 N 1.91 0.27 -0.84 3.99 0.11 -1.91 -1.38 132.00 134.15 2ay0 h PRO 29 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2ay0 h PRO 29 Cb 1.25 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2ay0 h PRO 29 CO 0.63 0.18 0.54 0.45 -0.21 0.00 0.00 178.00 179.59 2ay0 h HIS 30 N 0.28 1.07 -0.17 0.65 3.86 -1.98 0.59 115.15 119.45 2ay0 h HIS 30 Ca 0.38 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.64 2ay0 h HIS 30 Cb 0.61 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 2ay0 h HIS 30 CO -0.25 0.69 -0.02 2.35 0.86 0.00 0.00 177.93 181.55 2ay0 h TRP 31 N 1.14 -0.05 -0.65 2.45 7.01 -1.80 -2.54 115.95 121.51 2ay0 h TRP 31 Ca 0.31 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.26 2ay0 h TRP 31 Cb -0.11 0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 2ay0 h TRP 31 CO -0.01 -0.05 0.18 1.25 -2.79 0.00 0.00 178.44 177.02 2ay0 h LEU 32 N 0.03 0.97 -0.52 0.65 6.46 -0.50 -0.93 115.31 121.47 2ay0 h LEU 32 Ca 0.08 -0.22 -0.05 0.00 -0.12 0.00 0.00 57.88 57.57 2ay0 h LEU 32 Cb 0.11 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 2ay0 h LEU 32 CO -0.16 0.94 0.14 0.40 -0.62 0.00 0.00 178.44 179.14 2ay0 h ILE 33 N 0.95 1.24 -0.47 4.05 2.04 -0.80 0.12 117.51 124.64 2ay0 h ILE 33 Ca 0.21 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 2ay0 h ILE 33 Cb 0.33 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2ay0 h ILE 33 CO -0.00 0.30 0.11 0.11 0.00 0.00 0.00 178.15 178.67 2ay0 h LYS 34 N 0.72 0.76 -0.48 2.37 1.79 -1.18 -1.73 116.57 118.82 2ay0 h LYS 34 Ca 0.17 -0.18 0.05 0.00 -2.18 0.00 0.00 60.65 58.50 2ay0 h LYS 34 Cb 0.32 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.82 2ay0 h LYS 34 CO -0.00 0.75 0.21 0.37 -1.08 0.00 0.00 179.45 179.70 2ay0 h GLN 35 N 0.64 0.41 -0.34 3.15 5.75 -0.91 -0.25 115.11 123.56 2ay0 h GLN 35 Ca 0.15 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.67 2ay0 h GLN 35 Cb 0.33 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 2ay0 h GLN 35 CO 0.00 0.27 0.09 0.00 -2.65 0.00 0.00 178.83 176.54 2ay0 h ALA 36 N 1.28 0.38 -0.11 3.38 0.00 -0.73 -0.59 119.26 122.86 2ay0 h ALA 36 Ca 0.22 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2ay0 h ALA 36 Cb 0.17 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2ay0 h ALA 36 CO -0.18 -0.31 0.04 0.82 0.00 0.00 0.00 179.25 179.62 2ay0 h ILE 37 N 0.22 1.15 -0.31 0.00 2.04 -0.70 -0.90 117.51 119.00 2ay0 h ILE 37 Ca 0.16 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2ay0 h ILE 37 Cb 0.16 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2ay0 h ILE 37 CO -0.19 0.14 0.08 -0.26 0.00 0.00 0.00 178.15 177.91 2ay0 h PHE 38 N 0.02 0.52 -0.68 1.37 -1.00 -0.89 -1.32 116.94 114.96 2ay0 h PHE 38 Ca 0.04 -0.06 -0.06 0.00 2.81 0.00 0.00 57.97 60.69 2ay0 h PHE 38 Cb 0.18 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 2ay0 h PHE 38 CO -0.01 0.55 0.18 0.66 -1.61 0.00 0.00 178.31 178.07 2ay0 h SER 39 N 0.34 1.02 -0.75 2.17 4.64 -1.08 -1.82 113.55 118.08 2ay0 h SER 39 Ca 0.10 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.13 2ay0 h SER 39 Cb 0.29 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 2ay0 h SER 39 CO 0.00 0.98 0.24 0.22 -0.87 0.00 0.00 176.83 177.41 2ay0 h TYR 40 N 1.02 1.20 -0.44 4.77 3.20 -1.02 -0.72 116.97 124.98 2ay0 h TYR 40 Ca 0.22 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 2ay0 h TYR 40 Cb 0.35 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2ay0 h TYR 40 CO 0.03 0.94 0.08 -0.07 -1.64 0.00 0.00 178.16 177.50 2ay0 h LEU 41 N 1.12 0.69 0.11 2.82 3.38 -0.95 -0.73 115.31 121.75 2ay0 h LEU 41 Ca 0.24 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ay0 h LEU 41 Cb 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2ay0 h LEU 41 CO -0.01 0.76 -0.12 -0.33 0.09 0.00 0.00 178.44 178.84 2ay0 h GLU 42 N 0.58 -0.24 -0.55 1.13 5.08 -1.22 -0.02 114.58 119.33 2ay0 h GLU 42 Ca 0.13 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.62 2ay0 h GLU 42 Cb 0.36 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.56 2ay0 h GLU 42 CO 0.01 -0.16 -0.20 0.37 -1.00 0.00 0.00 179.01 178.03 2ay0 h GLN 43 N -0.25 -0.06 0.40 2.33 4.15 -1.04 0.39 115.11 121.02 2ay0 h GLN 43 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2ay0 h GLN 43 Cb 0.25 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2ay0 h GLN 43 CO -0.04 -0.04 -0.19 -0.07 -1.93 0.00 0.00 178.83 176.56 2ay0 h LEU 44 N -0.06 -0.45 -0.59 -2.39 3.38 -0.92 -1.45 115.31 112.82 2ay0 h LEU 44 Ca 0.26 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.31 2ay0 h LEU 44 Cb 0.46 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 2ay0 h LEU 44 CO -0.60 -0.26 0.12 -0.33 0.09 0.00 0.00 178.44 177.46 2ay0 h GLU 45 N -0.61 0.24 -0.77 1.13 5.08 -0.73 -2.13 114.58 116.78 2ay0 h GLU 45 Ca -0.05 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2ay0 h GLU 45 Cb 0.45 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2ay0 h GLU 45 CO 0.09 0.16 0.51 -0.91 -1.00 0.00 0.00 179.01 177.86 2ay0 h ASN 46 N 0.24 0.85 -0.01 1.42 2.35 0.04 -3.51 115.58 116.96 2ay0 h ASN 46 Ca 0.31 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2ay0 h ASN 46 Cb 0.46 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2ay0 h ASN 46 CO -0.41 0.60 0.00 -1.54 -1.65 0.00 0.00 177.43 174.43