#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ihq n ALA 2 N 0.00 4.52 -3.60 4.61 0.00 -1.26 -4.96 120.51 119.82 1ihq n ALA 2 Ca 0.00 -4.78 -0.28 0.00 0.00 0.00 0.00 53.44 48.38 1ihq n ALA 2 Cb 0.00 -1.53 -0.16 0.00 0.00 0.00 0.00 19.45 17.76 1ihq n ALA 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ihq s GLY 3 N -2.10 0.52 0.00 0.00 0.00 -1.26 -5.11 107.32 99.38 1ihq s GLY 3 Ca 0.36 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 44.22 1ihq s GLY 3 CO 0.03 1.85 0.02 -1.26 0.00 0.00 0.00 173.10 173.74 1ihq n SER 4 N 5.20 -0.03 -2.87 1.64 2.88 -1.26 -5.18 113.62 114.00 1ihq n SER 4 Ca -0.06 -1.02 0.00 0.00 -1.33 0.00 0.00 58.87 56.46 1ihq n SER 4 Cb 0.45 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1ihq n SER 4 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ihq n SER 5 N -0.75 0.00 -0.20 -3.46 7.64 -1.26 -4.87 113.62 110.71 1ihq n SER 5 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ihq n SER 5 Cb 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1ihq n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ihq n SER 6 N 0.00 -1.54 0.12 6.43 7.64 -1.26 -4.25 113.62 120.76 1ihq n SER 6 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1ihq n SER 6 Cb 0.00 -0.05 -0.15 0.00 -1.01 0.00 0.00 64.21 63.00 1ihq n SER 6 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ihq h LEU 7 N 0.00 0.60 -0.04 -3.43 5.85 -1.96 -1.42 115.31 114.91 1ihq h LEU 7 Ca 0.00 -0.66 -0.17 0.00 0.84 0.00 0.00 57.88 57.89 1ihq h LEU 7 Cb 0.00 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 40.85 1ihq h LEU 7 CO 0.00 1.52 -0.65 -0.33 -0.34 0.00 0.00 178.44 178.64 1ihq h GLU 8 N 0.10 0.51 -0.37 1.25 4.39 -1.96 0.43 114.58 118.93 1ihq h GLU 8 Ca -0.20 -0.49 -0.06 0.00 0.34 0.00 0.00 59.36 58.95 1ihq h GLU 8 Cb 2.06 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.82 1ihq h GLU 8 CO 0.23 1.13 -0.00 0.00 -1.16 0.00 0.00 179.01 179.21 1ihq h ALA 9 N 0.39 0.50 0.00 3.43 0.00 -1.85 0.38 119.26 122.12 1ihq h ALA 9 Ca -0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1ihq h ALA 9 Cb 1.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ihq h ALA 9 CO 0.13 0.28 -0.46 0.28 0.00 0.00 0.00 179.25 179.47 1ihq h VAL 10 N 0.48 0.97 -0.16 0.00 2.07 -1.31 -1.30 116.25 117.01 1ihq h VAL 10 Ca 0.11 -1.84 -0.16 0.00 0.82 0.00 0.00 66.70 65.63 1ihq h VAL 10 Cb 0.47 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1ihq h VAL 10 CO 0.02 0.45 -0.56 -0.09 0.02 0.00 0.00 177.57 177.41 1ihq h ARG 11 N 0.00 0.49 0.11 1.57 2.43 0.30 0.42 114.38 119.70 1ihq h ARG 11 Ca -0.00 -0.31 -0.27 0.00 -0.81 0.00 0.00 59.98 58.59 1ihq h ARG 11 Cb 1.08 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1ihq h ARG 11 CO 0.06 0.92 -1.20 -0.09 -1.51 0.00 0.00 179.97 178.15 1ihq h ARG 12 N 0.37 0.27 -0.08 0.20 2.43 -0.78 -1.53 114.38 115.26 1ihq h ARG 12 Ca 0.00 -0.44 -0.24 0.00 -0.81 0.00 0.00 59.98 58.49 1ihq h ARG 12 Cb 1.09 0.16 0.02 0.00 -0.42 0.00 0.00 29.97 30.82 1ihq h ARG 12 CO 0.10 1.20 -0.90 -0.22 -1.51 0.00 0.00 179.97 178.64 1ihq h LYS 13 N 0.08 0.75 0.38 0.20 1.63 -1.18 0.16 116.57 118.61 1ihq h LYS 13 Ca -0.12 -0.70 -0.02 0.00 -0.85 0.00 0.00 60.65 58.96 1ihq h LYS 13 Cb 1.92 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.73 1ihq h LYS 13 CO 0.20 1.29 -0.18 0.97 -3.45 0.00 0.00 179.45 178.27 1ihq h ILE 14 N 0.48 0.56 -0.50 2.00 -0.00 -0.23 0.26 117.51 120.07 1ihq h ILE 14 Ca -0.09 -0.51 0.04 0.00 -0.00 0.00 0.00 64.86 64.30 1ihq h ILE 14 Cb 1.54 0.79 -0.04 0.00 -0.00 0.00 0.00 36.82 39.11 1ihq h ILE 14 CO 0.18 0.09 0.27 -0.09 -0.00 0.00 0.00 178.15 178.60 1ihq h ARG 15 N -0.83 0.51 0.57 2.19 2.43 -1.36 0.31 114.38 118.20 1ihq h ARG 15 Ca -0.05 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1ihq h ARG 15 Cb 0.54 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1ihq h ARG 15 CO 0.09 0.34 -0.29 1.03 -1.51 0.00 0.00 179.97 179.63 1ihq h SER 16 N 0.53 -0.69 -0.94 -3.80 0.87 -0.94 -1.27 113.55 107.31 1ihq h SER 16 Ca 0.21 0.03 0.12 0.00 -1.23 0.00 0.00 61.79 60.92 1ihq h SER 16 Cb 0.09 0.18 -0.09 0.00 -0.44 0.00 0.00 62.40 62.15 1ihq h SER 16 CO -0.13 -0.48 0.56 -0.07 -0.53 0.00 0.00 176.83 176.18 1ihq h LEU 17 N -0.78 0.80 -0.39 2.23 3.38 -0.21 -0.29 115.31 120.05 1ihq h LEU 17 Ca -0.08 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1ihq h LEU 17 Cb 0.61 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1ihq h LEU 17 CO 0.12 0.41 0.07 -0.61 0.09 0.00 0.00 178.44 178.51 1ihq h GLN 18 N 0.87 0.18 -0.90 1.13 4.15 0.11 0.78 115.11 121.43 1ihq h GLN 18 Ca 0.48 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.89 1ihq h GLN 18 Cb 0.52 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 1ihq h GLN 18 CO -0.29 0.12 0.56 0.93 -1.93 0.00 0.00 178.83 178.23 1ihq h GLU 19 N 0.19 1.22 -0.06 1.69 5.08 0.07 -1.44 114.58 121.34 1ihq h GLU 19 Ca 0.19 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1ihq h GLU 19 Cb 0.23 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1ihq h GLU 19 CO -0.25 0.84 -0.50 0.37 -1.00 0.00 0.00 179.01 178.47 1ihq h GLN 20 N 1.24 0.15 -0.18 2.33 4.15 -0.02 0.18 115.11 122.96 1ihq h GLN 20 Ca 0.33 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1ihq h GLN 20 Cb -0.08 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1ihq h GLN 20 CO -0.06 0.61 0.08 -0.91 -1.93 0.00 0.00 178.83 176.63 1ihq h ASN 21 N 0.12 0.23 1.54 -0.69 2.35 0.15 0.68 115.58 119.96 1ihq h ASN 21 Ca 0.00 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 1ihq h ASN 21 Cb 0.92 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 1ihq h ASN 21 CO 0.07 0.29 -0.27 1.88 -1.65 0.00 0.00 177.43 177.76 1ihq h TYR 22 N 0.16 0.00 0.04 1.19 -1.99 -1.20 0.57 116.97 115.73 1ihq h TYR 22 Ca 0.06 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.56 1ihq h TYR 22 Cb 0.12 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.87 1ihq h TYR 22 CO -0.03 0.27 -0.92 1.25 -0.00 0.00 0.00 178.16 178.73 1ihq h HIS 23 N 0.00 0.86 0.00 4.88 2.76 -0.22 -1.08 115.15 122.35 1ihq h HIS 23 Ca -0.00 -0.49 -0.21 0.00 -2.20 0.00 0.00 60.37 57.47 1ihq h HIS 23 Cb 1.11 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.95 1ihq h HIS 23 CO 0.00 1.33 -0.98 -0.07 -1.30 0.00 0.00 177.93 176.91 1ihq h LEU 24 N 0.14 0.01 -0.24 0.26 4.07 0.35 0.78 115.31 120.69 1ihq h LEU 24 Ca -0.13 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.72 1ihq h LEU 24 Cb 1.61 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.35 1ihq h LEU 24 CO 0.18 0.98 -0.25 -0.08 -1.08 0.00 0.00 178.44 178.20 1ihq h GLU 25 N 0.00 0.59 0.00 1.13 4.81 -0.92 0.39 114.58 120.59 1ihq h GLU 25 Ca -0.01 -0.32 -0.13 0.00 -0.13 0.00 0.00 59.36 58.77 1ihq h GLU 25 Cb 1.73 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.11 1ihq h GLU 25 CO 0.13 0.91 -0.65 -0.91 -0.73 0.00 0.00 179.01 177.76 1ihq h ASN 26 N 0.30 0.00 -0.02 1.04 2.35 -1.25 -1.01 115.58 116.99 1ihq h ASN 26 Ca 0.04 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.53 1ihq h ASN 26 Cb 0.80 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.19 1ihq h ASN 26 CO 0.06 0.61 -0.98 -0.08 -1.65 0.00 0.00 177.43 175.38 1ihq h GLU 27 N 0.00 0.70 -0.01 0.81 4.81 -0.74 -0.77 114.58 119.38 1ihq h GLU 27 Ca -0.02 -0.73 -0.06 0.00 -0.13 0.00 0.00 59.36 58.42 1ihq h GLU 27 Cb 1.47 0.20 0.00 0.00 0.63 0.00 0.00 28.75 31.06 1ihq h GLU 27 CO 0.08 1.31 -0.24 -0.24 -0.73 0.00 0.00 179.01 179.18 1ihq h VAL 28 N 0.39 1.52 -0.17 0.32 3.04 -0.26 -0.62 116.25 120.47 1ihq h VAL 28 Ca -0.12 -1.88 0.02 0.00 -1.01 0.00 0.00 66.70 63.72 1ihq h VAL 28 Cb 1.64 2.68 -0.02 0.00 -2.01 0.00 0.00 31.29 33.57 1ihq h VAL 28 CO 0.19 0.52 0.02 0.00 -1.01 0.00 0.00 177.57 177.29 1ihq h ALA 29 N 0.29 0.16 -0.42 3.17 0.00 -1.27 0.17 119.26 121.36 1ihq h ALA 29 Ca -0.03 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ihq h ALA 29 Cb 0.97 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1ihq h ALA 29 CO 0.05 -0.42 0.07 0.07 0.00 0.00 0.00 179.25 179.02 1ihq h ARG 30 N 0.09 0.64 0.50 0.00 0.11 -1.20 -1.44 114.38 113.08 1ihq h ARG 30 Ca 0.08 -0.13 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 1ihq h ARG 30 Cb 0.08 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.07 1ihq h ARG 30 CO -0.12 0.61 -0.24 1.25 0.10 0.00 0.00 179.97 181.57 1ihq h LEU 31 N 0.62 -0.57 -1.35 0.08 5.85 -0.07 0.68 115.31 120.54 1ihq h LEU 31 Ca 0.14 0.02 0.27 0.00 0.84 0.00 0.00 57.88 59.15 1ihq h LEU 31 Cb 0.28 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.37 1ihq h LEU 31 CO 0.00 -0.41 0.67 0.07 -0.34 0.00 0.00 178.44 178.43 1ihq h LYS 32 N -0.67 0.38 0.24 1.25 2.10 -0.95 0.69 116.57 119.61 1ihq h LYS 32 Ca -0.07 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 1ihq h LYS 32 Cb 0.51 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1ihq h LYS 32 CO 0.11 0.25 -0.12 -0.22 -2.00 0.00 0.00 179.45 177.48 1ihq h LYS 33 N 0.40 -0.32 -0.60 0.07 3.64 -0.82 0.52 116.57 119.46 1ihq h LYS 33 Ca 0.60 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 60.12 1ihq h LYS 33 Cb 1.51 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 33.29 1ihq h LYS 33 CO -0.30 -0.21 -0.20 1.25 -2.27 0.00 0.00 179.45 177.72 1ihq h LEU 34 N -0.42 -0.71 0.01 5.20 5.85 0.13 -2.10 115.31 123.28 1ihq h LEU 34 Ca -0.03 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1ihq h LEU 34 Cb 0.25 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1ihq h LEU 34 CO 0.06 -0.23 -0.09 0.58 -0.34 0.00 0.00 178.44 178.41 1ihq h VAL 35 N -0.05 0.00 -5.12 1.05 2.07 0.32 -3.43 116.25 111.09 1ihq h VAL 35 Ca 0.28 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.53 1ihq h VAL 35 Cb 0.48 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.10 1ihq h VAL 35 CO -0.64 0.00 -0.40 0.61 0.02 0.00 0.00 177.57 177.16 1ihq n GLY 36 N -1.08 -0.14 0.00 2.17 0.00 0.17 -4.83 105.19 101.48 1ihq n GLY 36 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ihq n GLY 36 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ihq n GLU 37 N -2.18 1.19 0.00 1.61 -0.00 -1.26 -5.12 120.64 114.88 1ihq n GLU 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1ihq n GLU 37 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.66 1ihq n GLU 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00