#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ihq s ALA 2 N 0.00 1.17 0.00 4.61 0.00 -1.26 -3.58 121.76 122.69 1ihq s ALA 2 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1ihq s ALA 2 Cb 0.00 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.66 1ihq s ALA 2 CO 0.00 -5.18 0.00 0.41 0.00 0.00 0.00 175.76 170.99 1ihq n GLY 3 N 6.40 -1.67 0.00 0.00 0.00 -1.26 -5.03 105.19 103.63 1ihq n GLY 3 Ca 0.42 0.57 0.00 0.00 0.00 0.00 0.00 46.02 47.01 1ihq n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ihq n SER 4 N 0.00 0.00 0.17 1.61 2.88 -1.24 -4.81 113.62 112.24 1ihq n SER 4 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ihq n SER 4 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ihq n SER 4 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ihq n SER 5 N 0.00 -2.57 -0.60 -3.46 2.88 -1.26 -4.94 113.62 103.68 1ihq n SER 5 Ca 0.00 0.64 -0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1ihq n SER 5 Cb 0.00 2.51 -0.00 0.00 -0.75 0.00 0.00 64.21 65.97 1ihq n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ihq n SER 6 N -3.25 -0.03 -0.30 -3.46 7.64 -1.26 -4.93 113.62 108.03 1ihq n SER 6 Ca 0.00 -1.48 0.30 0.00 1.01 0.00 0.00 58.87 58.70 1ihq n SER 6 Cb 0.00 -0.06 0.56 0.00 -1.01 0.00 0.00 64.21 63.70 1ihq n SER 6 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ihq n LEU 7 N 0.03 0.33 -0.06 -3.43 7.94 -1.26 0.24 117.00 120.79 1ihq n LEU 7 Ca -0.02 1.56 -0.13 0.00 -1.11 0.00 0.00 56.01 56.31 1ihq n LEU 7 Cb 0.62 -0.76 -0.07 0.00 0.53 0.00 0.00 43.42 43.74 1ihq n LEU 7 CO -0.01 -1.75 0.58 -0.33 -1.11 0.00 0.00 177.39 174.76 1ihq h GLU 8 N 0.00 0.42 -0.20 1.96 4.39 -1.95 0.81 114.58 120.00 1ihq h GLU 8 Ca 0.80 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 60.22 1ihq h GLU 8 Cb 2.12 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.78 1ihq h GLU 8 CO -0.73 0.81 -0.04 0.00 -1.16 0.00 0.00 179.01 177.89 1ihq h ALA 9 N 0.61 0.28 0.00 3.43 0.00 0.28 0.10 119.26 123.96 1ihq h ALA 9 Ca 0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1ihq h ALA 9 Cb 0.75 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ihq h ALA 9 CO 0.05 0.05 -0.34 0.28 0.00 0.00 0.00 179.25 179.29 1ihq h VAL 10 N 0.12 0.95 -0.12 0.00 2.07 0.32 0.77 116.25 120.36 1ihq h VAL 10 Ca 0.05 -1.32 -0.20 0.00 0.82 0.00 0.00 66.70 66.05 1ihq h VAL 10 Cb 0.49 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1ihq h VAL 10 CO 0.02 0.34 -0.76 -0.09 0.02 0.00 0.00 177.57 177.10 1ihq h ARG 11 N 0.00 0.60 0.00 1.57 2.43 0.99 0.23 114.38 120.21 1ihq h ARG 11 Ca -0.00 -0.49 -0.17 0.00 -0.81 0.00 0.00 59.98 58.50 1ihq h ARG 11 Cb 0.75 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1ihq h ARG 11 CO 0.04 1.11 -0.81 -0.09 -1.51 0.00 0.00 179.97 178.72 1ihq h ARG 12 N 0.41 0.00 0.19 0.20 2.43 -0.49 -1.75 114.38 115.38 1ihq h ARG 12 Ca -0.04 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.81 1ihq h ARG 12 Cb 1.36 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.94 1ihq h ARG 12 CO 0.14 0.81 -1.37 -0.22 -1.51 0.00 0.00 179.97 177.83 1ihq h LYS 13 N 0.00 0.56 -0.03 0.20 3.64 -0.80 -0.77 116.57 119.37 1ihq h LYS 13 Ca -0.01 -0.86 -0.01 0.00 -1.27 0.00 0.00 60.65 58.51 1ihq h LYS 13 Cb 1.58 0.30 -0.00 0.00 -0.41 0.00 0.00 32.23 33.71 1ihq h LYS 13 CO 0.11 1.40 -0.00 0.97 -2.27 0.00 0.00 179.45 179.65 1ihq h ILE 14 N 0.20 1.28 -0.26 2.00 -0.00 -0.58 0.28 117.51 120.42 1ihq h ILE 14 Ca -0.22 -0.84 -0.02 0.00 -0.00 0.00 0.00 64.86 63.79 1ihq h ILE 14 Cb 2.05 1.78 -0.01 0.00 -0.00 0.00 0.00 36.82 40.65 1ihq h ILE 14 CO 0.26 0.22 0.10 -0.09 -0.00 0.00 0.00 178.15 178.64 1ihq h ARG 15 N -0.28 0.39 0.08 2.19 2.43 -1.41 0.15 114.38 117.93 1ihq h ARG 15 Ca 0.01 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1ihq h ARG 15 Cb 0.36 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1ihq h ARG 15 CO 0.00 0.43 -0.04 0.66 -1.51 0.00 0.00 179.97 179.51 1ihq h SER 16 N 0.27 -0.10 -0.77 -3.80 4.64 -1.11 -1.41 113.55 111.27 1ihq h SER 16 Ca 0.09 0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.50 1ihq h SER 16 Cb 0.18 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.25 1ihq h SER 16 CO -0.01 -0.07 0.51 -0.07 -0.87 0.00 0.00 176.83 176.32 1ihq h LEU 17 N -0.11 0.66 -0.08 5.97 3.38 -0.32 -1.16 115.31 123.65 1ihq h LEU 17 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ihq h LEU 17 Cb 0.09 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ihq h LEU 17 CO 0.01 0.41 0.05 -0.61 0.09 0.00 0.00 178.44 178.39 1ihq h GLN 18 N 0.74 0.10 -0.24 1.13 4.15 -0.12 0.21 115.11 121.07 1ihq h GLN 18 Ca 0.35 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.80 1ihq h GLN 18 Cb 0.39 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1ihq h GLN 18 CO -0.13 0.06 0.05 0.93 -1.93 0.00 0.00 178.83 177.82 1ihq h GLU 19 N 0.10 0.14 -0.93 1.69 5.08 -0.23 -1.43 114.58 119.01 1ihq h GLU 19 Ca 0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ihq h GLU 19 Cb -0.01 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1ihq h GLU 19 CO -0.01 0.10 0.60 0.37 -1.00 0.00 0.00 179.01 179.06 1ihq h GLN 20 N 0.15 1.24 -0.20 2.33 4.15 -1.02 0.15 115.11 121.91 1ihq h GLN 20 Ca 0.11 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 59.48 1ihq h GLN 20 Cb 0.11 -0.27 -0.04 0.00 0.21 0.00 0.00 27.48 27.49 1ihq h GLN 20 CO -0.14 0.83 -0.06 -0.91 -1.93 0.00 0.00 178.83 176.62 1ihq h ASN 21 N 1.27 -0.21 0.92 -0.69 -0.26 0.29 0.62 115.58 117.52 1ihq h ASN 21 Ca 0.34 0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 56.11 1ihq h ASN 21 Cb -0.12 0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 1ihq h ASN 21 CO -0.07 -0.08 -0.17 1.88 -1.06 0.00 0.00 177.43 177.93 1ihq h TYR 22 N -0.02 0.00 -0.03 1.19 -1.99 -0.73 0.43 116.97 115.82 1ihq h TYR 22 Ca 0.10 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.61 1ihq h TYR 22 Cb 0.16 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.91 1ihq h TYR 22 CO -0.22 0.17 -0.82 1.25 -0.00 0.00 0.00 178.16 178.53 1ihq h HIS 23 N 0.00 0.89 0.02 4.88 2.76 0.11 -1.25 115.15 122.56 1ihq h HIS 23 Ca -0.00 -0.46 -0.23 0.00 -2.20 0.00 0.00 60.37 57.48 1ihq h HIS 23 Cb 0.67 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.50 1ihq h HIS 23 CO 0.00 1.29 -1.09 -0.07 -1.30 0.00 0.00 177.93 176.76 1ihq h LEU 24 N 0.24 0.07 -0.11 0.26 3.38 0.36 -0.37 115.31 119.15 1ihq h LEU 24 Ca -0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1ihq h LEU 24 Cb 1.49 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1ihq h LEU 24 CO 0.16 1.07 -0.01 -0.08 0.09 0.00 0.00 178.44 179.67 1ihq h GLU 25 N 0.01 0.19 -0.02 1.13 4.81 -0.16 0.43 114.58 120.98 1ihq h GLU 25 Ca -0.05 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 58.91 1ihq h GLU 25 Cb 1.82 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.18 1ihq h GLU 25 CO 0.14 0.46 -0.85 -0.91 -0.73 0.00 0.00 179.01 177.12 1ihq h ASN 26 N -0.09 0.39 0.57 1.04 2.35 -1.31 -1.64 115.58 116.89 1ihq h ASN 26 Ca 0.03 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 1ihq h ASN 26 Cb 0.38 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.63 1ihq h ASN 26 CO 0.01 1.07 -0.28 -0.08 -1.65 0.00 0.00 177.43 176.50 1ihq h GLU 27 N 0.19 -0.74 -0.68 0.81 4.81 -0.97 0.20 114.58 118.19 1ihq h GLU 27 Ca -0.05 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1ihq h GLU 27 Cb 1.46 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.95 1ihq h GLU 27 CO 0.14 -0.43 0.39 -0.24 -0.73 0.00 0.00 179.01 178.14 1ihq h VAL 28 N -1.03 1.00 0.16 0.32 3.04 -0.21 0.52 116.25 120.05 1ihq h VAL 28 Ca -0.08 -0.25 -0.01 0.00 -1.01 0.00 0.00 66.70 65.35 1ihq h VAL 28 Cb 0.65 0.20 -0.00 0.00 -2.01 0.00 0.00 31.29 30.13 1ihq h VAL 28 CO 0.13 0.13 -0.10 0.00 -1.01 0.00 0.00 177.57 176.73 1ihq h ALA 29 N 1.34 -0.97 -0.21 3.17 0.00 -1.24 0.35 119.26 121.69 1ihq h ALA 29 Ca 0.30 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1ihq h ALA 29 Cb 0.14 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ihq h ALA 29 CO -0.16 -0.96 0.40 0.07 0.00 0.00 0.00 179.25 178.60 1ihq h ARG 30 N -0.24 0.00 0.26 0.00 -0.00 -0.46 -0.25 114.38 113.69 1ihq h ARG 30 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.95 1ihq h ARG 30 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.17 1ihq h ARG 30 CO 0.02 0.00 -0.12 1.25 -0.00 0.00 0.00 179.97 181.12 1ihq h LEU 31 N 0.00 -0.29 -1.70 0.08 5.85 0.87 0.19 115.31 120.31 1ihq h LEU 31 Ca 0.10 -0.20 0.21 0.00 0.84 0.00 0.00 57.88 58.83 1ihq h LEU 31 Cb 0.90 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1ihq h LEU 31 CO -0.00 0.20 0.58 0.11 -0.34 0.00 0.00 178.44 179.00 1ihq h LYS 32 N -0.96 0.24 0.04 1.25 1.57 0.14 2.39 116.57 121.23 1ihq h LYS 32 Ca -0.04 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.51 1ihq h LYS 32 Cb 0.48 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1ihq h LYS 32 CO 0.06 0.16 -1.03 -0.22 -0.57 0.00 0.00 179.45 177.85 1ihq h LYS 33 N 0.25 0.11 0.01 3.15 3.64 -1.26 -2.30 116.57 120.17 1ihq h LYS 33 Ca 0.43 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1ihq h LYS 33 Cb 1.29 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1ihq h LYS 33 CO -0.11 1.04 -0.07 1.25 -2.27 0.00 0.00 179.45 179.29 1ihq h LEU 34 N 0.04 0.06 0.31 5.20 5.85 0.37 -3.34 115.31 123.80 1ihq h LEU 34 Ca -0.05 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1ihq h LEU 34 Cb 1.75 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.74 1ihq h LEU 34 CO 0.15 0.91 -0.41 -0.37 -0.34 0.00 0.00 178.44 178.38 1ihq h VAL 35 N -0.79 0.18 -4.05 1.05 -1.51 0.35 -3.44 116.25 108.05 1ihq h VAL 35 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1ihq h VAL 35 Cb 0.92 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.26 1ihq h VAL 35 CO 0.01 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 1ihq n GLY 36 N -1.49 -0.35 0.00 5.19 0.00 -0.86 -4.53 105.19 103.14 1ihq n GLY 36 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ihq n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ihq n GLU 37 N -2.00 2.81 0.00 1.61 4.71 -1.26 -5.13 120.64 121.38 1ihq n GLU 37 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1ihq n GLU 37 Cb 0.35 -0.74 0.00 0.00 -1.01 0.00 0.00 31.44 30.05 1ihq n GLU 37 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09