#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 0.44 -0.26 1.24 -0.00 -2.05 -0.07 116.97 116.27 1lt1 h TYR 2 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 58.73 58.62 1lt1 h TYR 2 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 36.60 1lt1 h TYR 2 CO 0.00 0.53 -0.02 -0.07 -0.00 0.00 0.00 178.16 178.61 1lt1 h LEU 3 N 0.39 0.47 -0.43 0.10 3.38 -2.01 -2.30 115.31 114.91 1lt1 h LEU 3 Ca 0.07 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.78 1lt1 h LEU 3 Cb 0.45 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1lt1 h LEU 3 CO 0.03 0.68 0.10 0.03 0.09 0.00 0.00 178.44 179.37 1lt1 h ARG 4 N 0.24 0.23 -0.52 1.13 3.08 -1.89 0.10 114.38 116.76 1lt1 h ARG 4 Ca 0.07 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.15 1lt1 h ARG 4 Cb 0.45 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 1lt1 h ARG 4 CO 0.02 0.15 0.27 1.49 -1.07 0.00 0.00 179.97 180.83 1lt1 h GLU 5 N 0.24 0.50 -0.47 0.04 4.81 -0.95 0.12 114.58 118.87 1lt1 h GLU 5 Ca 0.21 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1lt1 h GLU 5 Cb 0.25 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1lt1 h GLU 5 CO -0.26 0.33 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.12 1lt1 h LEU 6 N 0.52 0.93 -0.96 1.64 3.38 -1.02 -1.74 115.31 118.06 1lt1 h LEU 6 Ca 0.23 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1lt1 h LEU 6 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1lt1 h LEU 6 CO -0.16 1.08 0.08 0.25 0.09 0.00 0.00 178.44 179.78 1lt1 h LEU 7 N 0.81 0.79 -0.49 1.67 5.85 -0.38 -1.02 115.31 122.54 1lt1 h LEU 7 Ca 0.12 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1lt1 h LEU 7 Cb 0.71 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1lt1 h LEU 7 CO 0.05 0.81 0.32 0.50 -0.34 0.00 0.00 178.44 179.78 1lt1 h LYS 8 N 0.80 0.62 -0.07 1.25 3.64 -0.47 -1.59 116.57 120.75 1lt1 h LYS 8 Ca 0.17 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1lt1 h LYS 8 Cb 0.36 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1lt1 h LYS 8 CO 0.01 0.41 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.17 1lt1 h LEU 9 N 0.64 0.13 -0.56 5.20 3.38 -0.77 -2.31 115.31 121.03 1lt1 h LEU 9 Ca 0.19 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 1lt1 h LEU 9 Cb -0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1lt1 h LEU 9 CO -0.06 0.49 -0.31 -0.33 0.09 0.00 0.00 178.44 178.33 1lt1 h GLU 10 N 0.12 0.82 -0.39 1.13 4.39 -0.72 -1.32 114.58 118.61 1lt1 h GLU 10 Ca 0.01 -0.38 -0.16 0.00 0.34 0.00 0.00 59.36 59.17 1lt1 h GLU 10 Cb 0.70 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1lt1 h GLU 10 CO 0.05 1.02 -0.37 -0.07 -1.16 0.00 0.00 179.01 178.48 1lt1 h LEU 11 N 0.70 0.99 -0.53 1.33 3.38 -1.11 0.73 115.31 120.79 1lt1 h LEU 11 Ca 0.08 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.60 1lt1 h LEU 11 Cb 0.85 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1lt1 h LEU 11 CO 0.07 1.25 0.33 1.56 0.09 0.00 0.00 178.44 181.74 1lt1 h GLN 12 N 0.75 0.63 -0.37 1.13 4.20 -1.32 -2.90 115.11 117.24 1lt1 h GLN 12 Ca 0.06 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1lt1 h GLN 12 Cb 0.96 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1lt1 h GLN 12 CO 0.09 0.42 -0.09 0.78 -0.67 0.00 0.00 178.83 179.36 1lt1 h GLY 13 N 0.65 0.77 1.16 3.46 0.00 -1.02 -2.59 103.07 105.50 1lt1 h GLY 13 Ca 0.21 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1lt1 h GLY 13 CO -0.08 0.58 0.36 1.19 0.00 0.00 0.00 176.54 178.59 1lt1 h ILE 14 N 0.51 1.24 -0.43 2.60 2.10 -0.81 0.03 117.51 122.75 1lt1 h ILE 14 Ca 0.09 -0.68 0.02 0.00 1.08 0.00 0.00 64.86 65.37 1lt1 h ILE 14 Cb 0.60 0.27 -0.03 0.00 -1.09 0.00 0.00 36.82 36.57 1lt1 h ILE 14 CO 0.04 0.29 0.26 0.50 -1.08 0.00 0.00 178.15 178.15 1lt1 h LYS 15 N 1.08 0.50 -0.57 2.19 3.64 -1.36 -1.02 116.57 121.04 1lt1 h LYS 15 Ca 0.26 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1lt1 h LYS 15 Cb 0.11 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1lt1 h LYS 15 CO -0.03 0.33 0.20 1.96 -2.27 0.00 0.00 179.45 179.64 1lt1 h GLN 16 N 0.52 0.85 -0.46 1.90 4.20 -1.09 -0.71 115.11 120.31 1lt1 h GLN 16 Ca 0.17 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1lt1 h GLN 16 Cb 0.01 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1lt1 h GLN 16 CO -0.08 0.72 0.15 1.88 -0.67 0.00 0.00 178.83 180.83 1lt1 h TYR 17 N 0.83 0.74 -0.79 2.96 -1.99 -0.64 0.10 116.97 118.17 1lt1 h TYR 17 Ca 0.19 -0.07 0.06 0.00 2.00 0.00 0.00 58.73 60.91 1lt1 h TYR 17 Cb 0.21 -0.21 -0.05 0.00 2.00 0.00 0.00 36.73 38.68 1lt1 h TYR 17 CO 0.01 0.65 0.52 0.00 -0.00 0.00 0.00 178.16 179.34 1lt1 h ARG 18 N 0.61 0.85 0.08 4.88 3.08 -0.99 -0.44 114.38 122.43 1lt1 h ARG 18 Ca 0.15 -0.05 -0.27 0.00 0.07 0.00 0.00 59.98 59.88 1lt1 h ARG 18 Cb 0.25 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.13 1lt1 h ARG 18 CO -0.01 0.56 -1.13 1.49 -1.07 0.00 0.00 179.97 179.81 1lt1 h GLU 19 N 0.87 0.48 -0.81 0.04 4.81 -0.88 -3.15 114.58 115.94 1lt1 h GLU 19 Ca 0.34 -0.62 0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1lt1 h GLU 19 Cb 0.21 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 1lt1 h GLU 19 CO -0.12 1.25 0.49 0.00 -0.73 0.00 0.00 179.01 179.91 1lt1 h ALA 20 N 0.51 1.10 0.00 2.92 0.00 -0.12 -0.68 119.26 122.99 1lt1 h ALA 20 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1lt1 h ALA 20 Cb 1.80 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1lt1 h ALA 20 CO 0.20 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.96 1lt1 n LEU 21 N -4.66 0.00 0.07 0.00 4.77 -0.24 -1.26 117.00 115.69 1lt1 n LEU 21 Ca 0.11 0.35 -0.21 0.00 -0.03 0.00 0.00 56.01 56.23 1lt1 n LEU 21 Cb 0.17 -0.35 -0.15 0.00 -2.33 0.00 0.00 43.42 40.76 1lt1 n LEU 21 CO 0.31 -0.15 -0.44 -0.33 -1.33 0.00 0.00 177.39 175.45 1lt1 h GLU 22 N 0.00 0.35 -0.07 3.23 5.08 -1.10 -3.39 114.58 118.68 1lt1 h GLU 22 Ca 0.00 -0.60 -0.17 0.00 -1.00 0.00 0.00 59.36 57.59 1lt1 h GLU 22 Cb 0.20 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1lt1 h GLU 22 CO 0.00 1.25 -0.69 1.88 -1.00 0.00 0.00 179.01 180.45 1lt1 h TYR 23 N 0.10 0.43 -3.15 4.33 -1.99 -0.76 -3.45 116.97 112.48 1lt1 h TYR 23 Ca -0.30 -0.18 -0.17 0.00 2.00 0.00 0.00 58.73 60.07 1lt1 h TYR 23 Cb 2.08 -0.07 -0.26 0.00 2.00 0.00 0.00 36.73 40.48 1lt1 h TYR 23 CO 0.09 0.91 -0.45 0.54 -0.00 0.00 0.00 178.16 179.25 1lt1 s VAL 24 N -3.65 -0.00 -0.27 -2.88 0.11 -0.39 -5.11 120.40 108.22 1lt1 s VAL 24 Ca -0.05 0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.75 1lt1 s VAL 24 Cb 0.11 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 1lt1 s VAL 24 CO 0.82 0.01 0.93 -0.54 -3.33 0.00 0.00 175.10 172.99 1lt1 s LYS 25 N 0.24 4.14 -0.39 1.54 1.02 -1.26 -4.42 119.74 120.60 1lt1 s LYS 25 Ca -0.01 1.02 0.02 0.00 0.02 0.00 0.00 55.97 57.02 1lt1 s LYS 25 Cb -0.03 -3.68 0.18 0.00 -0.52 0.00 0.00 37.83 33.79 1lt1 s LYS 25 CO -0.01 -0.66 0.78 -1.17 -0.92 0.00 0.00 175.35 173.38 1lt1 s LEU 26 N 3.13 -1.12 0.44 3.17 0.20 -1.26 -5.06 118.68 118.17 1lt1 s LEU 26 Ca 0.39 -0.65 0.18 0.00 0.69 0.00 0.00 54.13 54.74 1lt1 s LEU 26 Cb -0.14 1.44 1.10 0.00 -0.43 0.00 0.00 46.19 48.16 1lt1 s LEU 26 CO 0.10 -0.12 1.90 -0.65 -0.29 0.00 0.00 176.35 177.29 1lt1 h PRO 27 N 6.28 0.36 -0.72 0.98 0.11 -2.02 -0.56 132.00 136.43 1lt1 h PRO 27 Ca 0.02 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.15 1lt1 h PRO 27 Cb 1.19 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1lt1 h PRO 27 CO 0.03 0.24 0.48 -0.24 -0.21 0.00 0.00 178.00 178.30 1lt1 h VAL 28 N 0.37 1.10 -1.01 3.15 3.04 -2.00 -1.45 116.25 119.45 1lt1 h VAL 28 Ca 0.39 -0.30 0.06 0.00 -1.01 0.00 0.00 66.70 65.85 1lt1 h VAL 28 Cb 0.99 0.16 -0.07 0.00 -2.01 0.00 0.00 31.29 30.36 1lt1 h VAL 28 CO -0.12 0.16 0.65 -0.07 -1.01 0.00 0.00 177.57 177.18 1lt1 h LEU 29 N 0.87 1.05 -1.36 3.16 3.38 -1.53 -1.20 115.31 119.68 1lt1 h LEU 29 Ca 0.29 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 1lt1 h LEU 29 Cb 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1lt1 h LEU 29 CO -0.08 0.67 -0.02 0.00 0.09 0.00 0.00 178.44 179.10 1lt1 h ALA 30 N 1.45 1.48 -0.51 1.53 0.00 -1.34 -0.26 119.26 121.61 1lt1 h ALA 30 Ca 0.43 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1lt1 h ALA 30 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1lt1 h ALA 30 CO -0.17 0.37 -0.12 0.87 0.00 0.00 0.00 179.25 180.20 1lt1 h LYS 31 N 0.39 0.97 -0.44 0.00 1.57 -0.97 -1.71 116.57 116.38 1lt1 h LYS 31 Ca 0.09 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1lt1 h LYS 31 Cb 0.29 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1lt1 h LYS 31 CO 0.01 1.02 0.16 0.82 -0.57 0.00 0.00 179.45 180.89 1lt1 h ILE 32 N 0.86 1.21 -0.71 1.86 2.04 -0.80 -2.58 117.51 119.39 1lt1 h ILE 32 Ca 0.13 -0.67 0.06 0.00 1.00 0.00 0.00 64.86 65.38 1lt1 h ILE 32 Cb 0.67 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 1lt1 h ILE 32 CO 0.05 0.24 0.41 0.25 0.00 0.00 0.00 178.15 179.10 1lt1 h LEU 33 N 0.57 0.62 -0.36 1.44 6.46 -0.75 0.20 115.31 123.49 1lt1 h LEU 33 Ca 0.14 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1lt1 h LEU 33 Cb 0.22 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1lt1 h LEU 33 CO -0.01 0.40 0.24 -0.08 -0.62 0.00 0.00 178.44 178.37 1lt1 h GLU 34 N 0.76 0.48 -0.59 1.25 4.81 -1.08 -1.40 114.58 118.81 1lt1 h GLU 34 Ca 0.31 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.62 1lt1 h GLU 34 Cb 0.17 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 1lt1 h GLU 34 CO -0.17 0.32 0.12 -0.44 -0.73 0.00 0.00 179.01 178.10 1lt1 h ASP 35 N 0.49 -0.01 -0.60 1.04 3.32 -0.91 -2.83 116.42 116.92 1lt1 h ASP 35 Ca 0.13 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 1lt1 h ASP 35 Cb -0.05 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1lt1 h ASP 35 CO -0.03 0.01 0.16 -0.33 -1.72 0.00 0.00 179.24 177.33 1lt1 h GLU 36 N 0.25 0.95 -0.78 3.56 4.39 -0.28 -0.48 114.58 122.18 1lt1 h GLU 36 Ca 0.31 -0.22 0.09 0.00 0.34 0.00 0.00 59.36 59.88 1lt1 h GLU 36 Cb 0.45 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 1lt1 h GLU 36 CO -0.40 0.86 0.43 0.93 -1.16 0.00 0.00 179.01 179.67 1lt1 h GLU 37 N 0.86 0.70 -0.53 2.33 5.08 -1.22 -0.94 114.58 120.85 1lt1 h GLU 37 Ca 0.19 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1lt1 h GLU 37 Cb 0.33 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1lt1 h GLU 37 CO -0.00 0.46 0.19 0.87 -1.00 0.00 0.00 179.01 179.54 1lt1 h LYS 38 N 0.72 0.81 -0.84 2.33 1.79 -1.12 -2.21 116.57 118.04 1lt1 h LYS 38 Ca 0.38 -0.16 0.02 0.00 -2.18 0.00 0.00 60.65 58.72 1lt1 h LYS 38 Cb 0.37 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.85 1lt1 h LYS 38 CO -0.26 0.72 0.56 0.45 -1.08 0.00 0.00 179.45 179.84 1lt1 h HIS 39 N 0.73 1.03 -0.32 -1.35 3.86 -0.34 0.11 115.15 118.87 1lt1 h HIS 39 Ca 0.18 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.27 1lt1 h HIS 39 Cb 0.23 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1lt1 h HIS 39 CO 0.01 0.62 -0.35 0.82 0.86 0.00 0.00 177.93 179.89 1lt1 h ILE 40 N 1.09 1.29 -0.73 2.45 2.04 -1.06 -1.39 117.51 121.20 1lt1 h ILE 40 Ca 0.32 -1.52 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 1lt1 h ILE 40 Cb -0.04 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1lt1 h ILE 40 CO -0.09 0.50 0.27 -0.08 0.00 0.00 0.00 178.15 178.75 1lt1 h GLU 41 N 0.56 1.11 -0.64 2.37 4.81 -0.71 -1.83 114.58 120.25 1lt1 h GLU 41 Ca 0.05 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 1lt1 h GLU 41 Cb 0.93 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1lt1 h GLU 41 CO 0.08 0.92 0.09 -1.49 -0.73 0.00 0.00 179.01 177.88 1lt1 h TRP 42 N 1.06 1.15 -0.34 0.92 6.55 -0.64 -1.40 115.95 123.24 1lt1 h TRP 42 Ca 0.24 -0.17 -0.11 0.00 0.95 0.00 0.00 58.89 59.80 1lt1 h TRP 42 Cb 0.24 -0.31 -0.01 0.00 -0.86 0.00 0.00 29.16 28.23 1lt1 h TRP 42 CO 0.02 0.98 -0.23 -0.07 -1.05 0.00 0.00 178.44 178.08 1lt1 h LEU 43 N 0.99 0.79 -1.13 -4.49 3.38 -1.12 -1.36 115.31 112.37 1lt1 h LEU 43 Ca 0.19 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1lt1 h LEU 43 Cb 0.46 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1lt1 h LEU 43 CO 0.02 1.06 0.52 -0.33 0.09 0.00 0.00 178.44 179.79 1lt1 h GLU 44 N 0.54 1.11 0.57 1.13 5.08 -1.30 -0.81 114.58 120.90 1lt1 h GLU 44 Ca 0.07 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1lt1 h GLU 44 Cb 0.79 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.80 1lt1 h GLU 44 CO 0.06 0.76 -0.27 1.15 -1.00 0.00 0.00 179.01 179.71 1lt1 h THR 45 N 1.13 0.40 0.00 1.13 2.02 -0.96 -2.89 112.91 113.74 1lt1 h THR 45 Ca 0.30 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 1lt1 h THR 45 Cb -0.08 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1lt1 h THR 45 CO -0.06 0.03 -0.02 0.40 0.37 0.00 0.00 175.52 176.24 1lt1 h ILE 46 N -0.89 0.79 -2.10 3.11 2.04 -0.88 -3.40 117.51 116.17 1lt1 h ILE 46 Ca -0.08 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1lt1 h ILE 46 Cb 0.63 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1lt1 h ILE 46 CO 0.13 0.02 0.00 0.18 0.00 0.00 0.00 178.15 178.47 1lt1 n LEU 47 N -4.20 0.00 0.00 1.44 4.77 -0.34 -5.10 117.00 113.57 1lt1 n LEU 47 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1lt1 n LEU 47 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1lt1 n LEU 47 CO 0.31 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.83