#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lt1 h TYR 2 N 0.00 0.78 -0.21 2.11 -0.00 -2.06 -0.07 116.97 117.52 1lt1 h TYR 2 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 58.73 58.69 1lt1 h TYR 2 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 36.73 36.48 1lt1 h TYR 2 CO 0.00 0.31 -0.17 -0.07 -0.00 0.00 0.00 178.16 178.23 1lt1 h LEU 3 N 0.73 0.36 -0.60 0.10 3.38 -2.02 -1.87 115.31 115.38 1lt1 h LEU 3 Ca 0.38 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 58.11 1lt1 h LEU 3 Cb 0.36 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1lt1 h LEU 3 CO -0.25 0.55 -0.42 0.03 0.09 0.00 0.00 178.44 178.44 1lt1 h ARG 4 N 0.34 0.63 -0.93 1.13 3.08 -1.71 -1.91 114.38 115.01 1lt1 h ARG 4 Ca 0.06 -0.33 0.10 0.00 0.07 0.00 0.00 59.98 59.88 1lt1 h ARG 4 Cb 0.51 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.49 1lt1 h ARG 4 CO 0.03 0.94 0.57 0.93 -1.07 0.00 0.00 179.97 181.37 1lt1 h GLU 5 N 0.52 0.92 -0.15 0.04 4.39 -0.62 0.14 114.58 119.83 1lt1 h GLU 5 Ca 0.04 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1lt1 h GLU 5 Cb 0.94 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1lt1 h GLU 5 CO 0.09 0.61 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.42 1lt1 h LEU 6 N 0.95 0.29 -1.03 1.33 3.38 -1.05 0.19 115.31 119.38 1lt1 h LEU 6 Ca 0.45 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1lt1 h LEU 6 Cb 0.39 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1lt1 h LEU 6 CO -0.24 0.61 0.29 0.25 0.09 0.00 0.00 178.44 179.45 1lt1 h LEU 7 N -0.03 0.90 -0.17 1.67 5.85 -1.03 -0.19 115.31 122.30 1lt1 h LEU 7 Ca 0.04 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1lt1 h LEU 7 Cb 0.49 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1lt1 h LEU 7 CO 0.02 0.79 0.05 0.50 -0.34 0.00 0.00 178.44 179.46 1lt1 h LYS 8 N 0.98 0.27 -0.93 1.25 3.64 -0.36 -1.22 116.57 120.21 1lt1 h LYS 8 Ca 0.23 -0.06 0.20 0.00 -1.27 0.00 0.00 60.65 59.76 1lt1 h LYS 8 Cb 0.15 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 31.82 1lt1 h LYS 8 CO -0.02 0.39 0.49 1.25 -2.27 0.00 0.00 179.45 179.28 1lt1 h LEU 9 N 0.11 0.54 -0.50 5.20 5.85 -0.09 -1.66 115.31 124.75 1lt1 h LEU 9 Ca 0.06 0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.73 1lt1 h LEU 9 Cb 0.23 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1lt1 h LEU 9 CO -0.00 0.13 -0.72 -0.33 -0.34 0.00 0.00 178.44 177.18 1lt1 h GLU 10 N 0.57 0.21 -0.33 1.25 4.39 -0.58 -1.28 114.58 118.80 1lt1 h GLU 10 Ca 0.56 -0.18 -0.11 0.00 0.34 0.00 0.00 59.36 59.97 1lt1 h GLU 10 Cb 0.96 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1lt1 h GLU 10 CO -0.45 0.84 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.95 1lt1 h LEU 11 N 0.14 0.76 -0.93 1.33 3.38 -0.88 0.23 115.31 119.34 1lt1 h LEU 11 Ca -0.02 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 1lt1 h LEU 11 Cb 1.27 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1lt1 h LEU 11 CO 0.11 1.03 0.15 -0.61 0.09 0.00 0.00 178.44 179.21 1lt1 h GLN 12 N 0.50 0.93 -0.40 1.13 5.75 -1.18 -2.09 115.11 119.75 1lt1 h GLN 12 Ca 0.07 -0.20 -0.09 0.00 -0.15 0.00 0.00 58.65 58.28 1lt1 h GLN 12 Cb 0.77 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 1lt1 h GLN 12 CO 0.06 0.83 -0.10 0.78 -2.65 0.00 0.00 178.83 177.75 1lt1 h GLY 13 N 1.02 0.83 1.17 2.39 0.00 -0.85 -2.12 103.07 105.51 1lt1 h GLY 13 Ca 0.19 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1lt1 h GLY 13 CO -0.00 0.63 0.36 1.19 0.00 0.00 0.00 176.54 178.72 1lt1 h ILE 14 N 0.58 1.24 -0.21 2.60 2.10 -0.80 0.35 117.51 123.36 1lt1 h ILE 14 Ca 0.10 -0.66 0.03 0.00 1.08 0.00 0.00 64.86 65.40 1lt1 h ILE 14 Cb 0.62 0.27 -0.03 0.00 -1.09 0.00 0.00 36.82 36.60 1lt1 h ILE 14 CO 0.04 0.28 0.04 0.50 -1.08 0.00 0.00 178.15 177.93 1lt1 h LYS 15 N 1.07 0.12 -0.53 2.19 3.64 -1.18 -0.52 116.57 121.36 1lt1 h LYS 15 Ca 0.26 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.55 1lt1 h LYS 15 Cb 0.11 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1lt1 h LYS 15 CO -0.03 0.08 -0.02 1.96 -2.27 0.00 0.00 179.45 179.17 1lt1 h GLN 16 N 0.13 0.91 -0.68 1.90 4.20 -0.69 -1.19 115.11 119.68 1lt1 h GLN 16 Ca 0.10 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1lt1 h GLN 16 Cb 0.09 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1lt1 h GLN 16 CO -0.12 0.91 0.21 1.88 -0.67 0.00 0.00 178.83 181.04 1lt1 h TYR 17 N 0.83 1.08 -0.77 2.96 -1.99 -0.12 0.22 116.97 119.18 1lt1 h TYR 17 Ca 0.15 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 1lt1 h TYR 17 Cb 0.52 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 38.90 1lt1 h TYR 17 CO 0.03 0.86 0.33 0.00 -0.00 0.00 0.00 178.16 179.38 1lt1 h ARG 18 N 1.01 1.14 -0.33 4.88 3.08 -0.76 -0.56 114.38 122.83 1lt1 h ARG 18 Ca 0.22 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1lt1 h ARG 18 Cb 0.29 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1lt1 h ARG 18 CO -0.01 0.91 0.06 0.93 -1.07 0.00 0.00 179.97 180.79 1lt1 h GLU 19 N 1.11 0.55 -0.71 0.04 5.08 -1.01 -2.32 114.58 117.32 1lt1 h GLU 19 Ca 0.26 -0.14 0.09 0.00 -1.00 0.00 0.00 59.36 58.56 1lt1 h GLU 19 Cb 0.18 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1lt1 h GLU 19 CO -0.03 0.63 0.47 0.00 -1.00 0.00 0.00 179.01 179.08 1lt1 h ALA 20 N 0.90 1.82 0.00 3.43 0.00 -0.01 0.20 119.26 125.60 1lt1 h ALA 20 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1lt1 h ALA 20 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1lt1 h ALA 20 CO 0.01 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1lt1 n LEU 21 N -4.49 0.00 0.10 0.00 4.77 -0.27 -1.65 117.00 115.47 1lt1 n LEU 21 Ca 0.11 0.44 -0.20 0.00 -0.03 0.00 0.00 56.01 56.33 1lt1 n LEU 21 Cb 0.31 -0.44 -0.15 0.00 -2.33 0.00 0.00 43.42 40.81 1lt1 n LEU 21 CO 0.33 -0.05 -0.28 -0.33 -1.33 0.00 0.00 177.39 175.73 1lt1 h GLU 22 N 0.00 0.37 -0.06 3.23 5.08 -0.58 -3.38 114.58 119.24 1lt1 h GLU 22 Ca 0.00 -0.63 -0.16 0.00 -1.00 0.00 0.00 59.36 57.57 1lt1 h GLU 22 Cb 0.39 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1lt1 h GLU 22 CO 0.00 1.28 -0.66 1.88 -1.00 0.00 0.00 179.01 180.50 1lt1 h TYR 23 N 0.10 0.34 -2.92 4.33 0.99 -0.77 -3.46 116.97 115.59 1lt1 h TYR 23 Ca -0.24 -0.14 -0.14 0.00 2.00 0.00 0.00 58.73 60.21 1lt1 h TYR 23 Cb 2.07 -0.06 -0.25 0.00 1.00 0.00 0.00 36.73 39.50 1lt1 h TYR 23 CO 0.09 0.84 -0.32 0.54 -0.00 0.00 0.00 178.16 179.31 1lt1 s VAL 24 N -3.66 -0.00 -0.30 -2.88 0.11 -0.66 -5.11 120.40 107.91 1lt1 s VAL 24 Ca -0.04 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.78 1lt1 s VAL 24 Cb 0.11 -0.47 -0.00 0.00 -1.53 0.00 0.00 36.38 34.49 1lt1 s VAL 24 CO 0.81 0.00 0.75 -0.54 -3.33 0.00 0.00 175.10 172.79 1lt1 s LYS 25 N 0.19 3.96 -0.42 1.54 1.02 -1.26 -4.43 119.74 120.34 1lt1 s LYS 25 Ca -0.00 0.53 0.07 0.00 0.02 0.00 0.00 55.97 56.59 1lt1 s LYS 25 Cb -0.02 -3.72 0.18 0.00 -0.52 0.00 0.00 37.83 33.75 1lt1 s LYS 25 CO 0.00 -0.64 0.67 -1.17 -0.92 0.00 0.00 175.35 173.29 1lt1 s LEU 26 N 2.86 -1.46 0.53 3.17 2.96 -1.26 -5.05 118.68 120.43 1lt1 s LEU 26 Ca 0.31 -0.87 0.28 0.00 -0.22 0.00 0.00 54.13 53.63 1lt1 s LEU 26 Cb -0.14 1.87 1.43 0.00 0.50 0.00 0.00 46.19 49.85 1lt1 s LEU 26 CO 0.12 -0.15 1.95 -0.65 -1.32 0.00 0.00 176.35 176.30 1lt1 h PRO 27 N 6.65 0.00 -0.17 0.98 0.11 -2.02 -0.19 132.00 137.36 1lt1 h PRO 27 Ca 0.05 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 1lt1 h PRO 27 Cb 1.17 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1lt1 h PRO 27 CO 0.08 0.00 -0.02 -0.24 -0.21 0.00 0.00 178.00 177.61 1lt1 h VAL 28 N 0.00 1.13 -0.38 3.15 3.04 -2.00 -0.74 116.25 120.45 1lt1 h VAL 28 Ca 0.33 -0.51 0.01 0.00 -1.01 0.00 0.00 66.70 65.52 1lt1 h VAL 28 Cb 1.33 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 31.62 1lt1 h VAL 28 CO -0.00 0.17 0.25 -0.07 -1.01 0.00 0.00 177.57 176.91 1lt1 h LEU 29 N 0.25 0.44 -1.43 3.16 3.38 -1.46 -0.44 115.31 119.21 1lt1 h LEU 29 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1lt1 h LEU 29 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1lt1 h LEU 29 CO 0.01 0.31 -0.24 0.00 0.09 0.00 0.00 178.44 178.61 1lt1 h ALA 30 N 1.76 1.19 -0.12 1.53 0.00 -1.24 -0.62 119.26 121.76 1lt1 h ALA 30 Ca 0.14 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1lt1 h ALA 30 Cb -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1lt1 h ALA 30 CO -0.03 0.30 -0.71 0.87 0.00 0.00 0.00 179.25 179.68 1lt1 h LYS 31 N 0.00 0.54 -0.44 0.00 1.57 -0.95 -2.40 116.57 114.88 1lt1 h LYS 31 Ca -0.00 -0.42 -0.08 0.00 -1.87 0.00 0.00 60.65 58.28 1lt1 h LYS 31 Cb 0.59 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1lt1 h LYS 31 CO 0.03 1.04 -0.03 0.82 -0.57 0.00 0.00 179.45 180.75 1lt1 h ILE 32 N 0.38 1.27 -1.01 1.86 2.04 -0.95 -2.82 117.51 118.28 1lt1 h ILE 32 Ca -0.03 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 64.80 1lt1 h ILE 32 Cb 1.29 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 1lt1 h ILE 32 CO 0.13 0.37 0.65 0.25 0.00 0.00 0.00 178.15 179.56 1lt1 h LEU 33 N 0.64 1.06 -0.01 1.44 6.46 -0.98 -0.18 115.31 123.74 1lt1 h LEU 33 Ca 0.12 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1lt1 h LEU 33 Cb 0.53 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1lt1 h LEU 33 CO 0.03 0.70 0.01 -0.08 -0.62 0.00 0.00 178.44 178.47 1lt1 h GLU 34 N 1.21 0.01 -0.67 1.25 4.81 -1.30 -0.36 114.58 119.53 1lt1 h GLU 34 Ca 0.42 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.78 1lt1 h GLU 34 Cb 0.11 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.39 1lt1 h GLU 34 CO -0.16 0.06 0.18 -0.44 -0.73 0.00 0.00 179.01 177.92 1lt1 h ASP 35 N -0.04 0.07 -0.67 1.04 3.32 -1.07 -2.79 116.42 116.28 1lt1 h ASP 35 Ca 0.00 0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1lt1 h ASP 35 Cb 0.05 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1lt1 h ASP 35 CO -0.00 0.02 0.22 -0.33 -1.72 0.00 0.00 179.24 177.43 1lt1 h GLU 36 N 0.30 1.05 -0.36 3.56 4.39 -0.26 -0.64 114.58 122.63 1lt1 h GLU 36 Ca 0.36 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.86 1lt1 h GLU 36 Cb 0.56 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1lt1 h GLU 36 CO -0.43 0.90 0.21 0.93 -1.16 0.00 0.00 179.01 179.46 1lt1 h GLU 37 N 1.02 0.41 -0.48 2.33 5.08 -0.84 -0.66 114.58 121.43 1lt1 h GLU 37 Ca 0.22 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1lt1 h GLU 37 Cb 0.28 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1lt1 h GLU 37 CO -0.01 0.27 0.23 -0.22 -1.00 0.00 0.00 179.01 178.28 1lt1 h LYS 38 N 0.42 0.44 -0.86 2.33 3.64 -1.22 -2.24 116.57 119.08 1lt1 h LYS 38 Ca 0.14 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1lt1 h LYS 38 Cb 0.01 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.66 1lt1 h LYS 38 CO -0.07 0.29 0.52 0.45 -2.27 0.00 0.00 179.45 178.37 1lt1 h HIS 39 N 0.45 0.95 -0.20 1.91 3.86 -0.45 0.13 115.15 121.81 1lt1 h HIS 39 Ca 0.21 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1lt1 h HIS 39 Cb 0.14 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1lt1 h HIS 39 CO -0.11 0.44 -0.01 0.82 0.86 0.00 0.00 177.93 179.92 1lt1 h ILE 40 N 0.91 1.27 -0.01 2.45 2.04 -0.83 -1.02 117.51 122.30 1lt1 h ILE 40 Ca 0.40 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1lt1 h ILE 40 Cb 0.28 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 1lt1 h ILE 40 CO -0.21 0.28 -0.34 -0.08 0.00 0.00 0.00 178.15 177.80 1lt1 h GLU 41 N 0.10 -0.46 -0.94 2.37 4.81 -0.87 0.32 114.58 119.90 1lt1 h GLU 41 Ca 0.05 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.41 1lt1 h GLU 41 Cb 0.42 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.83 1lt1 h GLU 41 CO 0.01 -0.31 0.58 -1.49 -0.73 0.00 0.00 179.01 177.08 1lt1 h TRP 42 N -0.48 1.06 -0.18 0.92 6.55 -0.56 0.05 115.95 123.31 1lt1 h TRP 42 Ca 0.06 0.03 -0.13 0.00 0.95 0.00 0.00 58.89 59.80 1lt1 h TRP 42 Cb 0.57 -0.34 -0.01 0.00 -0.86 0.00 0.00 29.16 28.53 1lt1 h TRP 42 CO -0.36 0.47 -0.44 -0.07 -1.05 0.00 0.00 178.44 176.98 1lt1 h LEU 43 N 0.98 0.48 -0.34 -4.49 3.38 -0.73 -1.92 115.31 112.66 1lt1 h LEU 43 Ca 0.44 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1lt1 h LEU 43 Cb 0.35 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1lt1 h LEU 43 CO -0.23 0.86 0.14 -0.33 0.09 0.00 0.00 178.44 178.97 1lt1 h GLU 44 N 0.36 0.50 -0.16 1.13 5.08 0.41 -0.21 114.58 121.69 1lt1 h GLU 44 Ca 0.03 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1lt1 h GLU 44 Cb 0.93 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 1lt1 h GLU 44 CO 0.08 0.49 -0.24 1.15 -1.00 0.00 0.00 179.01 179.49 1lt1 h THR 45 N 0.40 0.41 -0.71 1.13 2.02 -0.90 -1.62 112.91 113.64 1lt1 h THR 45 Ca 0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.33 1lt1 h THR 45 Cb 0.17 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1lt1 h THR 45 CO -0.01 0.00 0.47 0.40 0.37 0.00 0.00 175.52 176.75 1lt1 h ILE 46 N -0.29 1.10 -1.92 3.11 2.04 -1.06 -3.41 117.51 117.08 1lt1 h ILE 46 Ca 0.11 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1lt1 h ILE 46 Cb 0.46 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1lt1 h ILE 46 CO -0.33 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.16 1lt1 n LEU 47 N -4.46 0.00 0.00 1.44 4.77 -0.12 -5.11 117.00 113.53 1lt1 n LEU 47 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1lt1 n LEU 47 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1lt1 n LEU 47 CO 0.35 -0.34 0.13 0.61 -1.33 0.00 0.00 177.39 176.81