#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1unu n LYS 3 N 0.00 0.04 0.02 0.03 3.00 -1.26 -3.18 118.16 116.81 1unu n LYS 3 Ca 0.00 0.07 -0.12 0.00 -0.00 0.00 0.00 58.31 58.26 1unu n LYS 3 Cb 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 33.45 1unu n LYS 3 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1unu h GLN 4 N 0.00 0.00 -0.26 1.64 5.75 -2.05 -2.32 115.11 117.87 1unu h GLN 4 Ca 0.00 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1unu h GLN 4 Cb 0.40 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1unu h GLN 4 CO 0.00 0.19 0.11 0.82 -2.65 0.00 0.00 178.83 177.30 1unu h ILE 5 N -0.18 1.10 0.87 2.39 2.04 -1.98 -1.81 117.51 119.94 1unu h ILE 5 Ca 0.00 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1unu h ILE 5 Cb 0.18 0.78 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1unu h ILE 5 CO -0.00 0.12 -0.43 -0.33 0.00 0.00 0.00 178.15 177.51 1unu h GLU 6 N 0.37 -1.14 -0.36 2.37 5.08 -1.52 0.15 114.58 119.53 1unu h GLU 6 Ca 0.09 0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1unu h GLU 6 Cb 0.06 0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1unu h GLU 6 CO -0.01 -0.76 0.14 -0.44 -1.00 0.00 0.00 179.01 176.94 1unu h ASP 7 N -1.18 0.16 -0.55 1.42 3.32 -1.29 0.50 116.42 118.80 1unu h ASP 7 Ca -0.12 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1unu h ASP 7 Cb 0.91 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1unu h ASP 7 CO 0.19 0.13 0.23 0.11 -1.72 0.00 0.00 179.24 178.18 1unu h LYS 8 N 0.30 0.81 -0.83 3.56 1.79 -1.16 -1.69 116.57 119.35 1unu h LYS 8 Ca 0.16 -0.14 0.11 0.00 -2.18 0.00 0.00 60.65 58.61 1unu h LYS 8 Cb 0.13 -0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 30.58 1unu h LYS 8 CO -0.16 0.69 0.54 0.77 -1.08 0.00 0.00 179.45 180.22 1unu h SER 9 N 0.74 0.66 -0.37 0.86 0.02 -0.31 0.66 113.55 115.80 1unu h SER 9 Ca 0.18 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 61.02 1unu h SER 9 Cb 0.17 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1unu h SER 9 CO -0.02 0.37 -0.30 -0.08 -1.14 0.00 0.00 176.83 175.67 1unu h GLU 10 N 0.72 0.86 -0.38 3.45 4.81 -0.04 -2.19 114.58 121.81 1unu h GLU 10 Ca 0.40 -0.43 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1unu h GLU 10 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1unu h GLU 10 CO -0.16 1.07 -0.28 0.93 -0.73 0.00 0.00 179.01 179.84 1unu h GLU 11 N 0.67 0.80 -0.32 1.92 5.08 -0.78 -1.51 114.58 120.44 1unu h GLU 11 Ca 0.07 -0.35 0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1unu h GLU 11 Cb 0.88 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1unu h GLU 11 CO 0.08 0.98 0.18 0.82 -1.00 0.00 0.00 179.01 180.07 1unu h ILE 12 N 0.69 1.02 -0.80 3.13 2.04 -0.70 -0.28 117.51 122.61 1unu h ILE 12 Ca 0.08 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1unu h ILE 12 Cb 0.81 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1unu h ILE 12 CO 0.07 0.07 0.41 -0.07 0.00 0.00 0.00 178.15 178.62 1unu h LEU 13 N 0.38 1.03 -0.28 1.44 3.38 -1.35 -0.21 115.31 119.70 1unu h LEU 13 Ca 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1unu h LEU 13 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1unu h LEU 13 CO -0.07 0.86 0.10 -1.28 0.09 0.00 0.00 178.44 178.15 1unu h SER 14 N 1.13 0.39 -0.25 -0.43 0.87 -1.06 0.60 113.55 114.79 1unu h SER 14 Ca 0.28 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1unu h SER 14 Cb 0.09 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1unu h SER 14 CO -0.04 0.46 0.02 0.11 -0.53 0.00 0.00 176.83 176.86 1unu h LYS 15 N 0.29 0.53 -0.65 2.24 1.57 -0.56 -1.90 116.57 118.09 1unu h LYS 15 Ca 0.09 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1unu h LYS 15 Cb 0.20 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1unu h LYS 15 CO -0.01 0.54 0.39 -0.07 -0.57 0.00 0.00 179.45 179.73 1unu h LEU 16 N 0.51 0.78 -0.72 2.94 3.38 -0.44 0.13 115.31 121.89 1unu h LEU 16 Ca 0.11 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1unu h LEU 16 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1unu h LEU 16 CO 0.01 0.62 0.05 1.88 0.09 0.00 0.00 178.44 181.09 1unu h TYR 17 N 0.88 1.10 -0.92 1.13 0.05 -0.72 -0.03 116.97 118.47 1unu h TYR 17 Ca 0.23 -0.16 0.05 0.00 0.05 0.00 0.00 58.73 58.89 1unu h TYR 17 Cb -0.01 -0.30 -0.06 0.00 1.01 0.00 0.00 36.73 37.37 1unu h TYR 17 CO -0.02 0.95 0.59 1.25 -1.05 0.00 0.00 178.16 179.89 1unu h HIS 18 N 0.96 1.11 -0.31 4.88 2.76 -0.72 -1.77 115.15 122.05 1unu h HIS 18 Ca 0.18 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.32 1unu h HIS 18 Cb 0.48 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1unu h HIS 18 CO 0.03 0.61 -0.04 0.82 -1.30 0.00 0.00 177.93 178.05 1unu h ILE 19 N 1.12 1.27 -0.69 6.26 2.04 -0.25 -0.85 117.51 126.41 1unu h ILE 19 Ca 0.38 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 65.25 1unu h ILE 19 Cb 0.07 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1unu h ILE 19 CO -0.14 0.34 0.46 -0.33 0.00 0.00 0.00 178.15 178.47 1unu h GLU 20 N 0.36 0.71 -0.39 2.37 5.08 -0.79 0.03 114.58 121.94 1unu h GLU 20 Ca 0.08 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1unu h GLU 20 Cb 0.51 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1unu h GLU 20 CO 0.02 0.47 -0.38 -0.91 -1.00 0.00 0.00 179.01 177.22 1unu h ASN 21 N 0.73 1.01 -0.21 1.42 2.35 -0.98 -1.05 115.58 118.85 1unu h ASN 21 Ca 0.29 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1unu h ASN 21 Cb 0.23 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1unu h ASN 21 CO -0.09 1.26 0.13 -0.33 -1.65 0.00 0.00 177.43 176.75 1unu h GLU 22 N 0.77 0.27 -0.75 0.81 5.08 -0.74 0.13 114.58 120.15 1unu h GLU 22 Ca 0.06 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1unu h GLU 22 Cb 0.98 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1unu h GLU 22 CO 0.09 0.18 0.27 -0.07 -1.00 0.00 0.00 179.01 178.48 1unu h LEU 23 N 0.28 1.05 -0.69 1.33 3.38 -0.97 -2.22 115.31 117.46 1unu h LEU 23 Ca 0.08 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1unu h LEU 23 Cb -0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1unu h LEU 23 CO -0.03 0.95 0.45 0.00 0.09 0.00 0.00 178.44 179.91 1unu h ALA 24 N 1.19 0.88 -0.48 1.53 0.00 -0.97 0.33 119.26 121.74 1unu h ALA 24 Ca 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1unu h ALA 24 Cb 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1unu h ALA 24 CO -0.02 0.28 0.26 -0.09 0.00 0.00 0.00 179.25 179.69 1unu h ARG 25 N 0.92 0.67 -0.14 0.00 2.43 -0.77 -1.24 114.38 116.26 1unu h ARG 25 Ca 0.26 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1unu h ARG 25 Cb -0.09 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1unu h ARG 25 CO -0.06 0.53 0.09 0.82 -1.51 0.00 0.00 179.97 179.84 1unu h ILE 26 N 0.64 1.06 -0.36 1.20 2.04 -0.93 -0.95 117.51 120.21 1unu h ILE 26 Ca 0.17 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.94 1unu h ILE 26 Cb 0.05 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1unu h ILE 26 CO -0.03 0.06 0.05 0.50 0.00 0.00 0.00 178.15 178.73 1unu h LYS 27 N 0.17 0.16 0.03 2.37 3.64 -0.11 -1.04 116.57 121.79 1unu h LYS 27 Ca 0.05 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1unu h LYS 27 Cb 0.02 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1unu h LYS 27 CO -0.01 0.10 -0.25 -0.22 -2.27 0.00 0.00 179.45 176.80 1unu h LYS 28 N 0.16 -0.40 -0.77 1.90 3.64 -1.06 -1.54 116.57 118.51 1unu h LYS 28 Ca 0.17 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1unu h LYS 28 Cb 0.21 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 1unu h LYS 28 CO -0.24 -0.26 0.49 -0.07 -2.27 0.00 0.00 179.45 177.09 1unu h LEU 29 N -0.41 0.79 -0.76 5.20 3.38 -0.98 -2.37 115.31 120.17 1unu h LEU 29 Ca 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1unu h LEU 29 Cb 0.48 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1unu h LEU 29 CO -0.20 0.54 -0.62 -0.07 0.09 0.00 0.00 178.44 178.19 1unu h LEU 30 N 0.94 0.02 0.00 1.67 3.38 -1.04 -2.48 115.31 117.79 1unu h LEU 30 Ca 0.31 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1unu h LEU 30 Cb 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1unu h LEU 30 CO -0.12 0.63 0.00 0.61 0.09 0.00 0.00 178.44 179.65 1unu n GLY 31 N 0.25 -0.68 0.45 0.83 0.00 -0.59 -5.11 105.19 100.34 1unu n GLY 31 Ca -0.01 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.02 1unu n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50