#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3htu n SER 11 N 0.00 1.15 -1.25 1.61 2.88 -1.26 -4.91 113.62 111.85 3htu n SER 11 Ca 0.00 1.06 0.08 0.00 -1.33 0.00 0.00 58.87 58.68 3htu n SER 11 Cb 0.00 -1.33 0.31 0.00 -0.75 0.00 0.00 64.21 62.44 3htu n SER 11 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3htu n ARG 12 N 0.29 3.62 -4.19 -1.46 1.74 -1.26 -4.98 116.66 110.41 3htu n ARG 12 Ca 0.09 -2.92 -0.34 0.00 -0.77 0.00 0.00 57.85 53.91 3htu n ARG 12 Cb 0.38 -1.96 -0.13 0.00 -1.02 0.00 0.00 32.46 29.73 3htu n ARG 12 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3htu s VAL 13 N -2.67 3.87 0.56 1.55 1.01 -1.26 -5.11 120.40 118.35 3htu s VAL 13 Ca 0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 3htu s VAL 13 Cb 0.36 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3htu s VAL 13 CO 0.12 0.45 0.81 0.42 0.00 0.00 0.00 175.10 176.91 3htu s THR 14 N 0.79 3.21 0.21 3.92 -4.23 -1.26 -4.98 115.64 113.31 3htu s THR 14 Ca -0.00 -0.40 -0.09 0.00 -1.18 0.00 0.00 61.69 60.01 3htu s THR 14 Cb -0.14 -3.24 0.15 0.00 1.34 0.00 0.00 72.50 70.60 3htu s THR 14 CO 0.02 -0.20 1.78 -0.08 -0.54 0.00 0.00 174.62 175.60 3htu h GLU 15 N 0.00 0.54 -0.21 3.99 4.81 -1.99 -2.13 114.58 119.59 3htu h GLU 15 Ca -0.44 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 3htu h GLU 15 Cb 1.28 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3htu h GLU 15 CO 0.57 0.36 0.07 0.37 -0.73 0.00 0.00 179.01 179.64 3htu h GLN 16 N 0.56 0.16 -0.60 1.92 4.15 -1.99 -0.61 115.11 118.70 3htu h GLN 16 Ca 0.31 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.83 3htu h GLN 16 Cb 0.30 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 27.87 3htu h GLN 16 CO -0.24 0.10 0.14 -0.44 -1.93 0.00 0.00 178.83 176.47 3htu h ASP 17 N 0.16 0.03 -0.41 -0.69 3.45 -1.89 -0.15 116.42 116.92 3htu h ASP 17 Ca 0.09 0.11 -0.09 0.00 0.43 0.00 0.00 57.03 57.57 3htu h ASP 17 Cb 0.07 0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 3htu h ASP 17 CO -0.10 0.02 -0.07 0.11 -1.57 0.00 0.00 179.24 177.64 3htu h LYS 18 N 0.28 0.85 -0.49 3.56 1.57 -1.18 0.14 116.57 121.29 3htu h LYS 18 Ca 0.32 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3htu h LYS 18 Cb 0.46 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3htu h LYS 18 CO -0.39 0.89 0.21 0.00 -0.57 0.00 0.00 179.45 179.59 3htu h ALA 19 N 1.15 0.64 -0.44 3.86 0.00 -0.46 -1.61 119.26 122.39 3htu h ALA 19 Ca 0.14 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3htu h ALA 19 Cb 0.56 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3htu h ALA 19 CO 0.03 0.23 0.29 0.82 0.00 0.00 0.00 179.25 180.63 3htu h ILE 20 N 0.66 1.11 -0.46 0.00 2.04 -0.86 -2.65 117.51 117.35 3htu h ILE 20 Ca 0.17 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.84 3htu h ILE 20 Cb 0.17 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3htu h ILE 20 CO -0.02 0.11 0.26 0.25 0.00 0.00 0.00 178.15 178.76 3htu h LEU 21 N 0.60 0.42 -0.71 1.44 6.46 -0.76 -0.58 115.31 122.18 3htu h LEU 21 Ca 0.16 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.98 3htu h LEU 21 Cb -0.07 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 39.73 3htu h LEU 21 CO -0.04 0.30 0.42 1.56 -0.62 0.00 0.00 178.44 180.07 3htu h GLN 22 N 0.53 0.78 -0.29 1.25 4.20 -1.24 0.94 115.11 121.27 3htu h GLN 22 Ca 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 3htu h GLN 22 Cb 0.03 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3htu h GLN 22 CO -0.09 0.51 0.14 -0.07 -0.67 0.00 0.00 178.83 178.66 3htu h LEU 23 N 0.80 0.38 -1.33 1.46 3.38 -1.24 -2.35 115.31 116.42 3htu h LEU 23 Ca 0.30 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.18 3htu h LEU 23 Cb 0.11 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3htu h LEU 23 CO -0.15 0.39 0.48 0.11 0.09 0.00 0.00 178.44 179.37 3htu h LYS 24 N 0.34 0.85 -0.72 1.13 1.57 -0.74 0.00 116.57 119.00 3htu h LYS 24 Ca 0.10 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3htu h LYS 24 Cb 0.11 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3htu h LYS 24 CO -0.01 0.56 0.19 1.96 -0.57 0.00 0.00 179.45 181.58 3htu h GLN 25 N 0.88 1.15 -0.03 3.15 1.08 -0.66 -1.13 115.11 119.55 3htu h GLN 25 Ca 0.29 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3htu h GLN 25 Cb 0.06 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3htu h GLN 25 CO -0.08 1.00 0.02 1.96 -0.95 0.00 0.00 178.83 180.78 3htu h GLN 26 N 1.09 0.04 -0.82 1.46 1.08 -0.77 -1.68 115.11 115.50 3htu h GLN 26 Ca 0.23 -0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.62 3htu h GLN 26 Cb 0.36 -0.01 -0.12 0.00 -0.05 0.00 0.00 27.48 27.66 3htu h GLN 26 CO 0.00 0.10 0.27 -0.09 -0.95 0.00 0.00 178.83 178.17 3htu h ARG 27 N -0.03 0.31 -0.34 1.46 2.43 -0.96 -1.67 114.38 115.58 3htu h ARG 27 Ca 0.01 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 3htu h ARG 27 Cb 0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3htu h ARG 27 CO -0.00 0.21 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.02 3htu h ASP 28 N 0.32 0.77 -0.37 -3.80 5.19 -1.05 -1.45 116.42 116.04 3htu h ASP 28 Ca 0.49 -0.42 -0.03 0.00 -0.62 0.00 0.00 57.03 56.45 3htu h ASP 28 Cb 0.89 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 3htu h ASP 28 CO -0.54 1.03 0.12 0.11 -3.12 0.00 0.00 179.24 176.84 3htu h LYS 29 N 0.52 0.57 -0.87 3.56 1.57 -0.83 -1.23 116.57 119.86 3htu h LYS 29 Ca 0.07 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3htu h LYS 29 Cb 0.76 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.93 3htu h LYS 29 CO 0.06 0.59 0.54 -0.07 -0.57 0.00 0.00 179.45 180.00 3htu h LEU 30 N 0.44 0.85 -1.19 2.94 3.38 -1.36 -1.33 115.31 119.04 3htu h LEU 30 Ca 0.12 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3htu h LEU 30 Cb 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3htu h LEU 30 CO -0.00 0.55 -0.03 0.03 0.09 0.00 0.00 178.44 179.07 3htu h ARG 31 N 0.99 0.51 -0.09 1.13 3.08 -0.83 -1.04 114.38 118.14 3htu h ARG 31 Ca 0.38 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 60.25 3htu h ARG 31 Cb 0.17 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3htu h ARG 31 CO -0.17 0.57 -0.18 1.96 -1.07 0.00 0.00 179.97 181.08 3htu h GLN 32 N 0.49 0.27 -0.82 0.04 4.20 -0.81 -2.76 115.11 115.72 3htu h GLN 32 Ca 0.10 -0.18 0.15 0.00 0.06 0.00 0.00 58.65 58.78 3htu h GLN 32 Cb 0.37 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.08 3htu h GLN 32 CO 0.02 0.77 0.40 1.88 -0.67 0.00 0.00 178.83 181.22 3htu h TYR 33 N -0.19 0.69 -0.28 2.96 0.99 -1.15 -2.46 116.97 117.53 3htu h TYR 33 Ca 0.00 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.71 3htu h TYR 33 Cb 0.76 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 38.29 3htu h TYR 33 CO 0.11 0.14 -0.05 1.96 -0.00 0.00 0.00 178.16 180.32 3htu h GLN 34 N 0.57 0.45 -0.56 4.88 1.08 -1.11 -1.90 115.11 118.52 3htu h GLN 34 Ca 0.45 -0.10 -0.06 0.00 -1.45 0.00 0.00 58.65 57.49 3htu h GLN 34 Cb 0.65 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 3htu h GLN 34 CO -0.38 0.52 0.11 0.87 -0.95 0.00 0.00 178.83 179.00 3htu h LYS 35 N 0.43 0.92 0.23 1.46 1.57 -1.15 0.26 116.57 120.28 3htu h LYS 35 Ca 0.09 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3htu h LYS 35 Cb 0.37 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3htu h LYS 35 CO 0.02 0.87 -0.13 0.00 -0.57 0.00 0.00 179.45 179.64 3htu h ARG 36 N 0.81 -0.33 -0.77 3.15 3.08 -1.15 -0.20 114.38 118.98 3htu h ARG 36 Ca 0.17 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.29 3htu h ARG 36 Cb 0.38 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 3htu h ARG 36 CO 0.01 -0.22 0.47 0.82 -1.07 0.00 0.00 179.97 179.98 3htu h ILE 37 N -0.34 1.07 -0.72 2.04 2.04 -1.31 -1.21 117.51 119.08 3htu h ILE 37 Ca -0.02 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 3htu h ILE 37 Cb 0.28 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 3htu h ILE 37 CO 0.03 0.16 0.38 0.00 0.00 0.00 0.00 178.15 178.73 3htu h ALA 38 N 1.35 1.32 -0.74 1.87 0.00 -0.58 0.36 119.26 122.84 3htu h ALA 38 Ca 0.32 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3htu h ALA 38 Cb 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3htu h ALA 38 CO -0.14 0.55 0.21 0.37 0.00 0.00 0.00 179.25 180.24 3htu h GLN 39 N 1.00 1.16 -0.56 0.00 4.15 -0.34 -2.89 115.11 117.63 3htu h GLN 39 Ca 0.25 -0.26 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 3htu h GLN 39 Cb 0.04 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3htu h GLN 39 CO -0.04 1.00 -0.07 1.96 -1.93 0.00 0.00 178.83 179.75 3htu h GLN 40 N 1.11 1.04 -0.52 1.69 4.20 -0.14 -2.24 115.11 120.25 3htu h GLN 40 Ca 0.24 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 3htu h GLN 40 Cb 0.33 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3htu h GLN 40 CO -0.00 1.06 0.18 -0.07 -0.67 0.00 0.00 178.83 179.33 3htu h LEU 41 N 0.92 0.69 -0.84 1.46 3.38 -0.95 -2.19 115.31 117.78 3htu h LEU 41 Ca 0.15 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 3htu h LEU 41 Cb 0.63 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3htu h LEU 41 CO 0.04 0.64 -0.57 -0.33 0.09 0.00 0.00 178.44 178.32 3htu h GLU 42 N 0.74 0.04 -0.60 1.13 4.39 -1.39 -2.28 114.58 116.60 3htu h GLU 42 Ca 0.18 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3htu h GLU 42 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3htu h GLU 42 CO -0.01 0.59 0.00 -2.13 -1.16 0.00 0.00 179.01 176.30 3htu n ARG 43 N -3.87 0.82 -0.18 2.33 0.63 -0.84 -2.97 116.66 112.58 3htu n ARG 43 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3htu n ARG 43 Cb 0.57 -1.30 0.00 0.00 0.45 0.00 0.00 32.46 32.19 3htu n ARG 43 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3htu n GLU 44 N -0.07 0.08 0.00 -0.14 4.71 -0.87 -5.04 120.64 119.31 3htu n GLU 44 Ca 0.00 -0.73 0.00 0.00 -0.01 0.00 0.00 57.16 56.42 3htu n GLU 44 Cb 0.15 -0.52 0.00 0.00 -1.01 0.00 0.00 31.44 30.06 3htu n GLU 44 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76