#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpq s PHE 10 N 0.00 1.81 0.41 2.13 0.08 -1.26 -5.12 117.98 116.03 3bpq s PHE 10 Ca 0.00 -1.05 -0.26 0.00 0.12 0.00 0.00 56.93 55.75 3bpq s PHE 10 Cb 0.00 -1.39 -0.10 0.00 -0.57 0.00 0.00 43.02 40.96 3bpq s PHE 10 CO 0.00 -0.61 1.26 0.34 -0.10 0.00 0.00 175.22 176.12 3bpq n PHE 11 N 4.86 2.11 0.01 0.36 7.35 -1.26 -4.93 117.46 125.96 3bpq n PHE 11 Ca -0.14 0.51 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 3bpq n PHE 11 Cb 0.49 -2.38 0.00 0.00 0.35 0.00 0.00 39.48 37.94 3bpq n PHE 11 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 3bpq n ILE 12 N -0.13 0.04 0.00 -2.13 3.06 -1.26 -5.14 119.36 113.81 3bpq n ILE 12 Ca 0.06 0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.33 3bpq n ILE 12 Cb 0.39 -0.93 0.00 0.00 0.54 0.00 0.00 39.64 39.64 3bpq n ILE 12 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 3bpq n SER 13 N -2.78 0.00 0.00 9.51 7.64 -1.26 -4.68 113.62 122.05 3bpq n SER 13 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3bpq n SER 13 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3bpq n SER 13 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3bpq n ARG 14 N 0.00 0.00 -0.24 1.43 0.63 -1.26 -4.56 116.66 112.66 3bpq n ARG 14 Ca 0.00 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 3bpq n ARG 14 Cb 0.00 -0.28 0.42 0.00 0.45 0.00 0.00 32.46 33.05 3bpq n ARG 14 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3bpq h LYS 15 N 0.00 0.58 -0.39 -0.14 1.57 -2.00 -1.76 116.57 114.42 3bpq h LYS 15 Ca 0.00 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 3bpq h LYS 15 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3bpq h LYS 15 CO 0.00 0.39 -0.37 1.49 -0.57 0.00 0.00 179.45 180.38 3bpq h GLU 16 N 0.60 0.94 -0.60 3.15 4.81 -1.83 -2.68 114.58 118.98 3bpq h GLU 16 Ca 0.42 -0.49 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3bpq h GLU 16 Cb 0.77 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.10 3bpq h GLU 16 CO -0.18 1.15 0.27 -0.92 -0.73 0.00 0.00 179.01 178.60 3bpq h TYR 17 N 0.77 0.49 -0.43 0.92 3.20 -1.63 -1.10 116.97 119.20 3bpq h TYR 17 Ca 0.07 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 3bpq h TYR 17 Cb 0.97 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3bpq h TYR 17 CO 0.06 0.19 -0.05 0.93 -1.64 0.00 0.00 178.16 177.65 3bpq h GLU 18 N 0.50 0.73 -0.72 1.82 4.39 -1.32 -0.31 114.58 119.67 3bpq h GLU 18 Ca 0.29 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3bpq h GLU 18 Cb 0.27 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3bpq h GLU 18 CO -0.24 0.77 0.29 0.87 -1.16 0.00 0.00 179.01 179.55 3bpq h LYS 19 N 0.67 1.08 -0.51 2.33 1.79 -1.08 -0.67 116.57 120.18 3bpq h LYS 19 Ca 0.13 -0.19 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 3bpq h LYS 19 Cb 0.49 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 3bpq h LYS 19 CO 0.03 0.89 0.07 0.82 -1.08 0.00 0.00 179.45 180.17 3bpq h ILE 20 N 1.04 1.23 -0.69 1.86 2.04 -0.73 -2.42 117.51 119.85 3bpq h ILE 20 Ca 0.24 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 3bpq h ILE 20 Cb 0.21 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3bpq h ILE 20 CO -0.02 0.33 0.37 -0.33 0.00 0.00 0.00 178.15 178.50 3bpq h GLU 21 N 0.78 0.96 -0.59 2.37 4.39 -0.53 -1.42 114.58 120.55 3bpq h GLU 21 Ca 0.16 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 59.80 3bpq h GLU 21 Cb 0.37 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 3bpq h GLU 21 CO 0.01 0.73 0.31 0.93 -1.16 0.00 0.00 179.01 179.82 3bpq h GLU 22 N 0.94 0.57 -0.79 2.33 5.08 -0.83 -0.09 114.58 121.79 3bpq h GLU 22 Ca 0.24 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3bpq h GLU 22 Cb 0.05 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3bpq h GLU 22 CO -0.04 0.38 0.40 0.82 -1.00 0.00 0.00 179.01 179.57 3bpq h ILE 23 N 0.59 1.24 -0.43 3.13 2.04 -1.08 -1.33 117.51 121.68 3bpq h ILE 23 Ca 0.26 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 3bpq h ILE 23 Cb 0.16 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 3bpq h ILE 23 CO -0.17 0.28 0.04 -0.07 0.00 0.00 0.00 178.15 178.23 3bpq h LEU 24 N 1.10 0.62 -0.44 1.44 4.07 -0.85 -0.47 115.31 120.78 3bpq h LEU 24 Ca 0.27 -0.12 -0.07 0.00 0.08 0.00 0.00 57.88 58.04 3bpq h LEU 24 Cb 0.08 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 3bpq h LEU 24 CO -0.04 0.66 -0.02 0.44 -1.08 0.00 0.00 178.44 178.41 3bpq h ASP 25 N 0.64 0.78 -0.57 -0.43 3.32 -0.47 -2.40 116.42 117.29 3bpq h ASP 25 Ca 0.14 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 3bpq h ASP 25 Cb 0.33 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3bpq h ASP 25 CO 0.01 0.91 -0.05 0.40 -1.72 0.00 0.00 179.24 178.78 3bpq h ILE 26 N 0.63 1.27 -0.87 0.35 2.04 -0.87 -1.05 117.51 119.01 3bpq h ILE 26 Ca 0.12 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 3bpq h ILE 26 Cb 0.52 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3bpq h ILE 26 CO 0.03 0.43 0.48 1.23 0.00 0.00 0.00 178.15 180.32 3bpq h GLY 27 N 0.93 1.28 0.66 5.37 0.00 -1.05 -0.38 103.07 109.88 3bpq h GLY 27 Ca 0.16 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 3bpq h GLY 27 CO 0.04 0.55 -0.11 -2.00 0.00 0.00 0.00 176.54 175.02 3bpq h LEU 28 N 1.21 0.26 -0.84 3.11 5.85 -1.26 -0.76 115.31 122.88 3bpq h LEU 28 Ca 0.31 -0.50 0.16 0.00 0.84 0.00 0.00 57.88 58.68 3bpq h LEU 28 Cb 0.02 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 40.87 3bpq h LEU 28 CO -0.05 0.71 0.40 0.00 -0.34 0.00 0.00 178.44 179.16 3bpq h ALA 29 N 0.56 1.26 -0.41 1.25 0.00 -1.08 0.20 119.26 121.03 3bpq h ALA 29 Ca 0.01 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3bpq h ALA 29 Cb 0.65 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3bpq h ALA 29 CO 0.03 -0.16 0.04 0.87 0.00 0.00 0.00 179.25 180.03 3bpq h LYS 30 N 0.54 0.70 -0.85 0.00 1.57 -0.96 -0.24 116.57 117.33 3bpq h LYS 30 Ca 0.47 -0.20 0.08 0.00 -1.87 0.00 0.00 60.65 59.13 3bpq h LYS 30 Cb 0.72 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.90 3bpq h LYS 30 CO -0.40 0.76 0.55 0.00 -0.57 0.00 0.00 179.45 179.79 3bpq h ALA 31 N 0.92 1.63 -0.08 3.86 0.00 -0.27 -2.09 119.26 123.22 3bpq h ALA 31 Ca 0.12 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3bpq h ALA 31 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3bpq h ALA 31 CO 0.01 0.22 -0.52 0.52 0.00 0.00 0.00 179.25 179.48 3bpq h MET 32 N 0.88 0.22 0.00 0.00 2.86 -0.17 -3.05 114.93 115.67 3bpq h MET 32 Ca 0.38 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.84 3bpq h MET 32 Cb 0.32 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3bpq h MET 32 CO -0.15 0.69 -0.25 0.93 1.06 0.00 0.00 176.91 179.19 3bpq h GLU 33 N 0.18 0.00 0.00 1.72 5.08 -0.35 -2.03 114.58 119.17 3bpq h GLU 33 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bpq h GLU 33 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3bpq h GLU 33 CO 0.08 0.25 0.00 0.93 -1.00 0.00 0.00 179.01 179.27 3bpq h GLU 34 N 0.00 0.00 -0.57 2.33 5.08 -1.38 -2.62 114.58 117.42 3bpq h GLU 34 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bpq h GLU 34 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3bpq h GLU 34 CO 0.03 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.29 3bpq n THR 35 N -2.78 1.13 0.07 1.13 -2.24 -0.77 -4.67 114.28 106.14 3bpq n THR 35 Ca -0.00 -1.05 0.10 0.00 -2.27 0.00 0.00 64.05 60.83 3bpq n THR 35 Cb 0.20 0.44 0.56 0.00 -2.10 0.00 0.00 70.33 69.43 3bpq n THR 35 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3bpq h LYS 36 N 3.37 0.22 -0.39 -0.78 1.57 -1.50 -1.75 116.57 117.32 3bpq h LYS 36 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3bpq h LYS 36 Cb 0.96 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3bpq h LYS 36 CO 0.03 0.15 0.00 -0.25 -0.57 0.00 0.00 179.45 178.81 3bpq n ASP 37 N -4.48 3.29 -4.73 0.86 10.43 -1.26 -5.01 116.55 115.65 3bpq n ASP 37 Ca 0.04 -1.94 -0.39 0.00 2.57 0.00 0.00 54.79 55.07 3bpq n ASP 37 Cb 0.25 -0.25 0.03 0.00 1.84 0.00 0.00 41.12 42.99 3bpq n ASP 37 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3bpq n ASP 38 N 1.27 2.66 -4.72 -2.24 10.43 -0.66 -4.96 116.55 118.34 3bpq n ASP 38 Ca 0.17 1.03 -0.42 0.00 2.57 0.00 0.00 54.79 58.14 3bpq n ASP 38 Cb 0.55 -1.55 -0.03 0.00 1.84 0.00 0.00 41.12 41.92 3bpq n ASP 38 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3bpq s GLU 39 N -2.63 4.20 -0.30 -1.24 2.02 -1.26 -4.98 118.70 114.51 3bpq s GLU 39 Ca 0.67 2.40 -0.16 0.00 0.02 0.00 0.00 54.97 57.90 3bpq s GLU 39 Cb -0.44 -3.18 -0.02 0.00 0.10 0.00 0.00 34.13 30.58 3bpq s GLU 39 CO 0.53 -0.64 0.44 -0.51 0.02 0.00 0.00 175.26 175.10 3bpq s LEU 40 N 1.29 4.17 0.06 1.80 1.43 -1.26 -5.07 118.68 121.09 3bpq s LEU 40 Ca 0.71 0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.94 3bpq s LEU 40 Cb -0.44 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 3bpq s LEU 40 CO 0.31 -0.30 0.34 -0.76 0.23 0.00 0.00 176.35 176.17 3bpq s LEU 41 N 2.21 4.35 0.94 1.79 1.43 -1.26 -5.10 118.68 123.03 3bpq s LEU 41 Ca 0.17 0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 3bpq s LEU 41 Cb -0.16 -2.90 0.16 0.00 0.03 0.00 0.00 46.19 43.32 3bpq s LEU 41 CO 0.11 0.19 1.10 -0.89 0.23 0.00 0.00 176.35 177.09 3bpq s THR 42 N -1.39 2.23 0.31 5.49 2.01 -1.26 -4.88 115.64 118.15 3bpq s THR 42 Ca 0.32 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.40 3bpq s THR 42 Cb -0.13 -2.65 0.28 0.00 0.01 0.00 0.00 72.50 70.00 3bpq s THR 42 CO 0.18 -0.10 1.94 0.22 -0.69 0.00 0.00 174.62 176.17 3bpq h TYR 43 N -1.68 0.99 -0.52 4.92 5.03 -1.99 -2.68 116.97 121.04 3bpq h TYR 43 Ca -0.52 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 60.75 3bpq h TYR 43 Cb 1.32 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 39.25 3bpq h TYR 43 CO 0.33 0.55 0.09 -0.44 -1.32 0.00 0.00 178.16 177.37 3bpq h ASP 44 N 1.00 0.83 -0.34 -2.11 3.32 -2.05 -3.29 116.42 113.79 3bpq h ASP 44 Ca 0.35 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3bpq h ASP 44 Cb 0.11 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3bpq h ASP 44 CO -0.11 0.88 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.76 3bpq h GLU 45 N 0.75 0.81 -6.66 3.56 5.08 -1.84 -3.43 114.58 112.84 3bpq h GLU 45 Ca 0.16 -0.32 -0.52 0.00 -1.00 0.00 0.00 59.36 57.68 3bpq h GLU 45 Cb 0.40 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.62 3bpq h GLU 45 CO 0.01 0.94 0.54 -1.50 -1.00 0.00 0.00 179.01 178.00 3bpq s ILE 46 N -4.66 3.62 0.00 3.13 1.10 -1.08 -5.00 121.20 118.30 3bpq s ILE 46 Ca -0.10 1.37 0.00 0.00 -0.51 0.00 0.00 60.65 61.41 3bpq s ILE 46 Cb 0.13 -3.88 0.00 0.00 0.15 0.00 0.00 42.46 38.87 3bpq s ILE 46 CO 0.84 0.22 0.00 2.29 -2.11 0.00 0.00 174.94 176.18