#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpq s LYS 9 N 0.00 1.75 -0.05 -1.58 2.20 -1.26 -5.15 119.74 115.66 3bpq s LYS 9 Ca 0.00 -0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 55.18 3bpq s LYS 9 Cb 0.00 -1.50 -0.04 0.00 -1.51 0.00 0.00 37.83 34.78 3bpq s LYS 9 CO 0.00 -0.03 0.07 -0.06 -0.36 0.00 0.00 175.35 174.97 3bpq s PHE 10 N 0.86 3.31 -0.01 4.03 0.40 -1.26 -5.11 117.98 120.20 3bpq s PHE 10 Ca -0.11 0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.50 3bpq s PHE 10 Cb -0.15 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.59 3bpq s PHE 10 CO 0.01 0.56 -0.02 -0.06 0.70 0.00 0.00 175.22 176.41 3bpq s PHE 11 N -1.07 0.29 0.21 0.36 0.40 -1.26 -5.17 117.98 111.73 3bpq s PHE 11 Ca 0.19 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.56 3bpq s PHE 11 Cb -0.12 -0.25 -0.05 0.00 0.51 0.00 0.00 43.02 43.12 3bpq s PHE 11 CO 0.09 -0.05 -0.15 0.96 0.70 0.00 0.00 175.22 176.77 3bpq s ILE 12 N 0.28 1.80 1.04 0.64 -4.36 -1.26 -5.16 121.20 114.18 3bpq s ILE 12 Ca -0.03 -2.20 -0.17 0.00 -0.26 0.00 0.00 60.65 58.00 3bpq s ILE 12 Cb -0.05 -2.04 0.22 0.00 1.25 0.00 0.00 42.46 41.84 3bpq s ILE 12 CO -0.01 -0.56 1.23 -0.94 0.24 0.00 0.00 174.94 174.91 3bpq s SER 13 N -3.27 2.40 0.18 4.36 1.04 -1.26 -4.87 113.70 112.27 3bpq s SER 13 Ca 0.22 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.10 3bpq s SER 13 Cb -0.02 -0.61 0.06 0.00 0.10 0.00 0.00 66.02 65.56 3bpq s SER 13 CO 0.07 -3.19 1.43 -0.09 0.98 0.00 0.00 173.24 172.44 3bpq h ARG 14 N -1.95 0.34 -0.30 4.02 2.43 -2.01 -2.11 114.38 114.79 3bpq h ARG 14 Ca -0.45 -0.29 -0.07 0.00 -0.81 0.00 0.00 59.98 58.36 3bpq h ARG 14 Cb 1.26 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 3bpq h ARG 14 CO 0.39 0.95 -0.12 -0.22 -1.51 0.00 0.00 179.97 179.45 3bpq h LYS 15 N 0.22 0.51 -0.15 0.20 3.64 -1.99 -0.27 116.57 118.74 3bpq h LYS 15 Ca -0.03 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.11 3bpq h LYS 15 Cb 1.33 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3bpq h LYS 15 CO 0.12 0.63 -0.26 0.93 -2.27 0.00 0.00 179.45 178.61 3bpq h GLU 16 N 0.47 0.44 -0.62 1.90 5.08 -1.92 -2.40 114.58 117.53 3bpq h GLU 16 Ca 0.09 -0.27 0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3bpq h GLU 16 Cb 0.50 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 3bpq h GLU 16 CO 0.03 0.87 0.28 -0.92 -1.00 0.00 0.00 179.01 178.27 3bpq h TYR 17 N 0.05 0.51 -0.44 4.33 5.03 -1.20 -0.80 116.97 124.46 3bpq h TYR 17 Ca 0.01 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 3bpq h TYR 17 Cb 0.84 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.96 3bpq h TYR 17 CO 0.10 0.19 0.21 0.93 -1.32 0.00 0.00 178.16 178.27 3bpq h GLU 18 N 0.51 0.63 -0.85 1.82 5.08 -1.04 -0.43 114.58 120.31 3bpq h GLU 18 Ca 0.30 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3bpq h GLU 18 Cb 0.29 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3bpq h GLU 18 CO -0.25 0.55 0.48 -0.22 -1.00 0.00 0.00 179.01 178.57 3bpq h LYS 19 N 0.57 1.17 -0.25 2.33 1.63 -1.17 -2.30 116.57 118.55 3bpq h LYS 19 Ca 0.15 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.74 3bpq h LYS 19 Cb 0.13 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 3bpq h LYS 19 CO -0.02 0.84 -0.22 0.82 -3.45 0.00 0.00 179.45 177.42 3bpq h ILE 20 N 1.18 1.25 -0.42 2.00 2.04 -0.62 -1.71 117.51 121.23 3bpq h ILE 20 Ca 0.30 -1.19 -0.09 0.00 1.00 0.00 0.00 64.86 64.88 3bpq h ILE 20 Cb 0.00 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3bpq h ILE 20 CO -0.05 0.38 -0.10 -0.33 0.00 0.00 0.00 178.15 178.05 3bpq h GLU 21 N 0.41 0.75 -0.41 2.37 4.39 -0.63 -0.58 114.58 120.89 3bpq h GLU 21 Ca 0.07 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 3bpq h GLU 21 Cb 0.62 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 3bpq h GLU 21 CO 0.04 0.83 0.18 1.49 -1.16 0.00 0.00 179.01 180.39 3bpq h GLU 22 N 0.68 0.61 -0.43 2.33 4.81 -1.03 -1.81 114.58 119.73 3bpq h GLU 22 Ca 0.12 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3bpq h GLU 22 Cb 0.56 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 3bpq h GLU 22 CO 0.03 0.55 0.18 0.82 -0.73 0.00 0.00 179.01 179.87 3bpq h ILE 23 N 0.52 0.92 -0.71 2.32 1.08 -1.13 -2.99 117.51 117.52 3bpq h ILE 23 Ca 0.14 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 3bpq h ILE 23 Cb 0.16 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 3bpq h ILE 23 CO -0.01 0.07 0.35 -0.07 -0.69 0.00 0.00 178.15 177.80 3bpq h LEU 24 N 0.38 0.91 -0.59 1.44 4.07 -0.90 -1.22 115.31 119.39 3bpq h LEU 24 Ca 0.19 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 3bpq h LEU 24 Cb 0.14 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 3bpq h LEU 24 CO -0.17 0.76 0.32 0.44 -1.08 0.00 0.00 178.44 178.71 3bpq h ASP 25 N 1.01 0.75 -0.20 -0.43 3.32 -1.26 -1.37 116.42 118.23 3bpq h ASP 25 Ca 0.25 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3bpq h ASP 25 Cb 0.08 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 3bpq h ASP 25 CO -0.03 0.63 -0.16 0.40 -1.72 0.00 0.00 179.24 178.36 3bpq h ILE 26 N 0.81 1.32 -0.58 0.35 2.04 -1.32 -0.19 117.51 119.93 3bpq h ILE 26 Ca 0.21 -1.29 0.08 0.00 1.00 0.00 0.00 64.86 64.86 3bpq h ILE 26 Cb 0.06 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 3bpq h ILE 26 CO -0.03 0.39 0.24 1.23 0.00 0.00 0.00 178.15 179.98 3bpq h GLY 27 N 0.14 0.82 0.93 5.37 0.00 -1.23 0.31 103.07 109.41 3bpq h GLY 27 Ca 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3bpq h GLY 27 CO 0.04 0.03 0.14 -2.00 0.00 0.00 0.00 176.54 174.75 3bpq h LEU 28 N 0.45 0.49 -0.76 3.11 5.85 -1.05 0.12 115.31 123.52 3bpq h LEU 28 Ca 0.28 -0.17 0.14 0.00 0.84 0.00 0.00 57.88 58.97 3bpq h LEU 28 Cb 0.30 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 3bpq h LEU 28 CO -0.26 0.53 0.33 0.00 -0.34 0.00 0.00 178.44 178.70 3bpq h ALA 29 N 0.99 1.08 -0.18 1.25 0.00 -0.61 -0.25 119.26 121.54 3bpq h ALA 29 Ca 0.12 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 3bpq h ALA 29 Cb 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3bpq h ALA 29 CO -0.01 -0.18 -0.51 0.87 0.00 0.00 0.00 179.25 179.42 3bpq h LYS 30 N 0.49 0.49 -0.98 0.00 1.79 -0.49 -1.54 116.57 116.33 3bpq h LYS 30 Ca 0.41 -0.29 0.03 0.00 -2.18 0.00 0.00 60.65 58.62 3bpq h LYS 30 Cb 0.60 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.22 3bpq h LYS 30 CO -0.38 0.88 0.64 0.00 -1.08 0.00 0.00 179.45 179.51 3bpq h ALA 31 N 1.06 1.28 -0.45 3.86 0.00 -0.13 -2.62 119.26 122.27 3bpq h ALA 31 Ca 0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3bpq h ALA 31 Cb 1.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3bpq h ALA 31 CO 0.09 0.55 -0.22 0.52 0.00 0.00 0.00 179.25 180.19 3bpq h MET 32 N 1.26 0.91 -0.35 0.00 2.86 -0.78 -3.00 114.93 115.82 3bpq h MET 32 Ca 0.38 -0.38 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3bpq h MET 32 Cb -0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3bpq h MET 32 CO -0.11 1.04 0.24 0.93 1.06 0.00 0.00 176.91 180.06 3bpq h GLU 33 N 0.79 0.25 0.00 1.72 5.08 -0.95 -0.74 114.58 120.73 3bpq h GLU 33 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3bpq h GLU 33 Cb 0.78 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3bpq h GLU 33 CO 0.06 0.17 0.00 0.93 -1.00 0.00 0.00 179.01 179.17 3bpq h GLU 34 N 0.26 0.00 -0.69 2.33 5.08 -1.33 -2.91 114.58 117.32 3bpq h GLU 34 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3bpq h GLU 34 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3bpq h GLU 34 CO -0.03 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.23 3bpq n THR 35 N -2.83 1.12 -0.04 1.13 -2.24 -0.28 -4.65 114.28 106.49 3bpq n THR 35 Ca -0.01 -0.98 0.07 0.00 -2.27 0.00 0.00 64.05 60.86 3bpq n THR 35 Cb 0.18 0.38 0.44 0.00 -2.10 0.00 0.00 70.33 69.24 3bpq n THR 35 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3bpq h LYS 36 N 4.05 0.51 -0.13 -0.78 3.64 -1.59 -1.41 116.57 120.86 3bpq h LYS 36 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3bpq h LYS 36 Cb 1.04 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3bpq h LYS 36 CO 0.05 0.34 0.00 -0.25 -2.27 0.00 0.00 179.45 177.32 3bpq n ASP 37 N -4.47 2.52 -4.78 4.20 10.43 -1.26 -4.98 116.55 118.21 3bpq n ASP 37 Ca 0.06 -1.83 -0.41 0.00 2.57 0.00 0.00 54.79 55.18 3bpq n ASP 37 Cb 0.17 -0.07 -0.00 0.00 1.84 0.00 0.00 41.12 43.05 3bpq n ASP 37 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3bpq s ASP 38 N -1.81 6.30 0.29 -2.24 1.11 -0.53 -4.98 116.67 114.81 3bpq s ASP 38 Ca 0.34 2.99 -0.30 0.00 0.18 0.00 0.00 52.55 55.76 3bpq s ASP 38 Cb 0.20 -2.66 -0.13 0.00 1.07 0.00 0.00 42.92 41.41 3bpq s ASP 38 CO 0.31 -0.89 1.40 1.21 1.18 0.00 0.00 175.17 178.38 3bpq n GLU 39 N 0.37 2.22 -3.55 8.23 2.13 -1.26 -5.00 120.64 123.78 3bpq n GLU 39 Ca 0.02 0.79 -0.37 0.00 0.66 0.00 0.00 57.16 58.25 3bpq n GLU 39 Cb 0.40 -2.44 -0.07 0.00 0.27 0.00 0.00 31.44 29.60 3bpq n GLU 39 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3bpq s LEU 40 N -0.51 4.31 0.05 4.31 1.02 -1.26 -5.09 118.68 121.51 3bpq s LEU 40 Ca 0.62 0.62 0.06 0.00 0.02 0.00 0.00 54.13 55.45 3bpq s LEU 40 Cb -0.58 -2.41 -0.04 0.00 0.02 0.00 0.00 46.19 43.18 3bpq s LEU 40 CO 0.55 0.17 -0.13 -0.76 0.02 0.00 0.00 176.35 176.20 3bpq s LEU 41 N 0.01 2.89 0.85 1.79 1.43 -1.26 -5.14 118.68 119.26 3bpq s LEU 41 Ca 0.18 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 3bpq s LEU 41 Cb -0.14 -1.69 0.11 0.00 0.03 0.00 0.00 46.19 44.50 3bpq s LEU 41 CO 0.06 0.24 1.17 0.42 0.23 0.00 0.00 176.35 178.47 3bpq s THR 42 N -1.03 2.00 0.15 5.49 -4.23 -1.26 -4.87 115.64 111.88 3bpq s THR 42 Ca 0.17 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.52 3bpq s THR 42 Cb -0.11 -2.91 0.01 0.00 1.34 0.00 0.00 72.50 70.83 3bpq s THR 42 CO 0.08 0.00 1.81 0.22 -0.54 0.00 0.00 174.62 176.19 3bpq h TYR 43 N -1.24 0.46 -0.89 3.99 -0.00 -2.00 -1.37 116.97 115.91 3bpq h TYR 43 Ca -0.47 0.01 0.07 0.00 -0.00 0.00 0.00 58.73 58.33 3bpq h TYR 43 Cb 1.33 -0.15 -0.06 0.00 -0.00 0.00 0.00 36.73 37.84 3bpq h TYR 43 CO 0.22 0.28 0.56 -0.44 -0.00 0.00 0.00 178.16 178.78 3bpq h ASP 44 N 0.50 0.88 0.13 -2.11 3.45 -2.01 -2.58 116.42 114.68 3bpq h ASP 44 Ca 0.15 0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.53 3bpq h ASP 44 Cb -0.03 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 3bpq h ASP 44 CO -0.05 0.56 -0.33 -0.33 -1.57 0.00 0.00 179.24 177.52 3bpq h GLU 45 N 1.01 0.29 0.00 3.56 5.08 -1.83 -2.83 114.58 119.86 3bpq h GLU 45 Ca 0.39 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 3bpq h GLU 45 Cb 0.19 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3bpq h GLU 45 CO -0.18 0.59 -0.50 0.97 -1.00 0.00 0.00 179.01 178.90 3bpq h ILE 46 N 0.25 1.08 0.00 3.13 -0.00 -0.86 -3.22 117.51 117.90 3bpq h ILE 46 Ca 0.03 -1.90 -0.08 0.00 -0.00 0.00 0.00 64.86 62.92 3bpq h ILE 46 Cb 0.71 2.11 -0.01 0.00 -0.00 0.00 0.00 36.82 39.63 3bpq h ILE 46 CO 0.05 0.49 -1.01 0.07 -0.00 0.00 0.00 178.15 177.75 3bpq h LYS 47 N 0.00 0.00 0.00 2.19 2.10 -1.46 -3.52 116.57 115.88 3bpq h LYS 47 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3bpq h LYS 47 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3bpq h LYS 47 CO 0.06 0.17 0.00 0.39 -2.00 0.00 0.00 179.45 178.07