#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 -3.24 0.00 4.61 0.00 -1.26 -4.47 120.51 116.15 1ihq n ALA 2 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.04 1ihq n ALA 2 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1ihq n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ihq n GLY 3 N 1.96 3.59 0.54 0.00 0.00 -1.26 -5.07 105.19 104.94 1ihq n GLY 3 Ca 0.06 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.24 0.00 1.61 2.88 -1.26 -4.95 113.62 108.66 1ihq n SER 4 Ca 0.00 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1ihq n SER 4 Cb 0.00 -1.71 0.00 0.00 -0.75 0.00 0.00 64.21 61.75 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 -2.85 0.00 0.00 -3.46 7.64 -1.26 -5.13 113.62 108.57 1ihq n SER 5 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1ihq n SER 5 Cb 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1ihq n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ihq n SER 6 N 0.00 0.00 0.03 6.43 3.41 -1.26 -4.95 113.62 117.28 1ihq n SER 6 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1ihq n SER 6 Cb 0.00 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 64.64 1ihq n SER 6 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ihq h LEU 7 N 0.00 0.00 0.27 1.04 7.12 -2.00 1.64 115.31 123.38 1ihq h LEU 7 Ca 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1ihq h LEU 7 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1ihq h LEU 7 CO 0.00 0.00 -0.13 -0.33 -0.13 0.00 0.00 178.44 177.85 1ihq h GLU 8 N 0.00 -0.35 -0.69 1.25 5.08 -1.96 0.66 114.58 118.56 1ihq h GLU 8 Ca 0.23 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1ihq h GLU 8 Cb 0.93 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1ihq h GLU 8 CO -0.00 -0.03 0.18 0.00 -1.00 0.00 0.00 179.01 178.16 1ihq h ALA 9 N -0.60 1.01 -0.43 3.43 0.00 -1.70 0.41 119.26 121.38 1ihq h ALA 9 Ca -0.04 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1ihq h ALA 9 Cb 0.49 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ihq h ALA 9 CO 0.06 0.65 -0.25 -0.24 0.00 0.00 0.00 179.25 179.47 1ihq h VAL 10 N 1.04 1.27 -0.05 0.00 3.04 0.23 0.22 116.25 122.00 1ihq h VAL 10 Ca 0.22 -1.41 -0.10 0.00 -1.01 0.00 0.00 66.70 64.40 1ihq h VAL 10 Cb 0.35 1.25 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1ihq h VAL 10 CO -0.00 0.48 -0.43 -0.09 -1.01 0.00 0.00 177.57 176.52 1ihq h ARG 11 N 0.76 0.12 0.00 4.17 2.43 0.78 0.17 114.38 122.81 1ihq h ARG 11 Ca 0.09 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 1ihq h ARG 11 Cb 0.83 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 1ihq h ARG 11 CO 0.07 0.53 -0.81 -0.09 -1.51 0.00 0.00 179.97 178.16 1ihq h ARG 12 N 0.10 0.00 0.17 0.20 2.43 0.09 -1.69 114.38 115.69 1ihq h ARG 12 Ca 0.01 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.87 1ihq h ARG 12 Cb 0.81 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.38 1ihq h ARG 12 CO 0.06 0.81 -1.33 -0.22 -1.51 0.00 0.00 179.97 177.79 1ihq h LYS 13 N 0.00 0.51 0.11 0.20 1.63 -0.21 -0.81 116.57 118.01 1ihq h LYS 13 Ca -0.01 -0.78 -0.01 0.00 -0.85 0.00 0.00 60.65 59.01 1ihq h LYS 13 Cb 1.62 0.28 0.00 0.00 -0.60 0.00 0.00 32.23 33.53 1ihq h LYS 13 CO 0.11 1.36 -0.05 0.97 -3.45 0.00 0.00 179.45 178.38 1ihq h ILE 14 N 0.18 1.08 -0.12 2.00 -0.00 -0.71 0.36 117.51 120.30 1ihq h ILE 14 Ca -0.20 -0.88 -0.00 0.00 -0.00 0.00 0.00 64.86 63.77 1ihq h ILE 14 Cb 2.01 1.62 -0.01 0.00 -0.00 0.00 0.00 36.82 40.45 1ihq h ILE 14 CO 0.24 0.21 0.07 -0.09 -0.00 0.00 0.00 178.15 178.58 1ihq h ARG 15 N -0.58 0.16 -0.26 2.19 1.12 -1.41 0.16 114.38 115.76 1ihq h ARG 15 Ca -0.02 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1ihq h ARG 15 Cb 0.46 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.37 1ihq h ARG 15 CO 0.03 0.16 0.16 0.77 -3.11 0.00 0.00 179.97 177.97 1ihq h SER 16 N 0.12 0.30 -0.76 -3.80 0.02 -1.17 -1.56 113.55 106.70 1ihq h SER 16 Ca 0.04 -0.04 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1ihq h SER 16 Cb 0.04 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1ihq h SER 16 CO -0.01 0.25 0.50 -0.07 -1.14 0.00 0.00 176.83 176.37 1ihq h LEU 17 N 0.33 0.79 0.50 5.07 -0.00 -0.04 -0.54 115.31 121.41 1ihq h LEU 17 Ca 0.09 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.94 1ihq h LEU 17 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.48 1ihq h LEU 17 CO -0.02 0.53 -0.27 -0.61 -0.00 0.00 0.00 178.44 178.08 1ihq h GLN 18 N 0.91 -0.69 -0.56 1.13 4.15 0.15 0.38 115.11 120.58 1ihq h GLN 18 Ca 0.31 0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.84 1ihq h GLN 18 Cb 0.09 0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.88 1ihq h GLN 18 CO -0.09 -0.46 0.25 0.93 -1.93 0.00 0.00 178.83 177.53 1ihq h GLU 19 N -0.71 0.46 -0.87 1.69 5.08 -0.80 -1.02 114.58 118.41 1ihq h GLU 19 Ca -0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1ihq h GLU 19 Cb 0.57 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1ihq h GLU 19 CO 0.09 0.30 0.50 0.37 -1.00 0.00 0.00 179.01 179.27 1ihq h GLN 20 N 0.47 1.19 -0.19 2.33 4.15 -0.85 0.27 115.11 122.48 1ihq h GLN 20 Ca 0.26 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.60 1ihq h GLN 20 Cb 0.24 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 1ihq h GLN 20 CO -0.22 0.86 -0.04 -0.91 -1.93 0.00 0.00 178.83 176.58 1ihq h ASN 21 N 1.20 -0.17 1.03 -0.69 -0.26 0.98 0.53 115.58 118.20 1ihq h ASN 21 Ca 0.31 0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 56.08 1ihq h ASN 21 Cb -0.01 0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1ihq h ASN 21 CO -0.05 -0.06 -0.12 1.88 -1.06 0.00 0.00 177.43 178.01 1ihq h TYR 22 N 0.00 0.00 -0.02 1.19 0.05 -0.82 0.28 116.97 117.65 1ihq h TYR 22 Ca 0.09 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.65 1ihq h TYR 22 Cb 0.14 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.90 1ihq h TYR 22 CO -0.21 0.12 -0.86 1.25 -1.05 0.00 0.00 178.16 177.41 1ihq h HIS 23 N 0.00 0.91 0.00 4.88 2.76 0.12 -0.83 115.15 122.99 1ihq h HIS 23 Ca -0.00 -0.48 -0.21 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 29.49 1ihq h HIS 23 CO 0.00 1.31 -1.02 -0.07 -1.30 0.00 0.00 177.93 176.85 1ihq h LEU 24 N 0.25 0.00 -0.20 0.26 3.38 0.17 0.65 115.31 119.82 1ihq h LEU 24 Ca -0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1ihq h LEU 24 Cb 1.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 1ihq h LEU 24 CO 0.17 0.99 -0.16 -0.08 0.09 0.00 0.00 178.44 179.46 1ihq h GLU 25 N 0.00 0.45 0.01 1.13 4.81 -0.47 0.41 114.58 120.93 1ihq h GLU 25 Ca -0.02 -0.22 -0.21 0.00 -0.13 0.00 0.00 59.36 58.78 1ihq h GLU 25 Cb 1.77 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.13 1ihq h GLU 25 CO 0.13 0.78 -0.97 -0.91 -0.73 0.00 0.00 179.01 177.31 1ihq h ASN 26 N 0.13 0.06 -0.14 1.04 2.35 -1.22 -1.47 115.58 116.33 1ihq h ASN 26 Ca 0.04 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 1ihq h ASN 26 Cb 0.68 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 1ihq h ASN 26 CO 0.04 0.99 -0.18 -0.08 -1.65 0.00 0.00 177.43 176.55 1ihq h GLU 27 N 0.01 0.37 0.05 0.81 4.57 -0.81 -0.31 114.58 119.28 1ihq h GLU 27 Ca -0.02 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1ihq h GLU 27 Cb 1.69 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.30 1ihq h GLU 27 CO 0.13 0.78 -0.03 -0.24 -1.18 0.00 0.00 179.01 178.48 1ihq h VAL 28 N -0.02 1.19 0.27 0.32 3.04 -0.23 0.47 116.25 121.28 1ihq h VAL 28 Ca 0.02 -0.84 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 1ihq h VAL 28 Cb 0.74 1.74 -0.04 0.00 -2.01 0.00 0.00 31.29 31.72 1ihq h VAL 28 CO 0.04 0.21 -0.52 0.00 -1.01 0.00 0.00 177.57 176.30 1ihq h ALA 29 N 0.47 -1.04 0.00 3.17 0.00 -1.32 0.25 119.26 120.79 1ihq h ALA 29 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ihq h ALA 29 Cb 0.40 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ihq h ALA 29 CO 0.01 -1.14 -0.06 -0.09 0.00 0.00 0.00 179.25 177.97 1ihq h ARG 30 N -0.85 0.00 0.00 0.00 2.43 -1.08 -1.26 114.38 113.62 1ihq h ARG 30 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ihq h ARG 30 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1ihq h ARG 30 CO -0.20 0.06 0.00 -0.11 -1.51 0.00 0.00 179.97 178.21 1ihq n LEU 31 N -4.01 0.10 0.13 3.80 7.94 0.16 0.32 117.00 125.45 1ihq n LEU 31 Ca -0.03 0.81 0.19 0.00 -1.11 0.00 0.00 56.01 55.87 1ihq n LEU 31 Cb 0.14 -0.43 0.68 0.00 0.53 0.00 0.00 43.42 44.35 1ihq n LEU 31 CO 0.31 -0.43 1.17 0.07 -1.11 0.00 0.00 177.39 177.40 1ihq h LYS 32 N 0.00 0.00 0.05 1.96 -0.00 -0.54 1.70 116.57 119.73 1ihq h LYS 32 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 60.65 60.41 1ihq h LYS 32 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1ihq h LYS 32 CO 0.00 0.00 -1.04 -0.22 -0.00 0.00 0.00 179.45 178.19 1ihq h LYS 33 N 0.00 0.29 0.00 0.07 3.64 -1.01 -1.09 116.57 118.48 1ihq h LYS 33 Ca 0.17 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1ihq h LYS 33 Cb 1.26 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1ihq h LYS 33 CO -0.00 1.11 -0.01 1.25 -2.27 0.00 0.00 179.45 179.52 1ihq h LEU 34 N 0.14 0.00 0.39 5.20 7.12 0.69 -3.38 115.31 125.47 1ihq h LEU 34 Ca -0.09 -0.30 -0.01 0.00 0.13 0.00 0.00 57.88 57.61 1ihq h LEU 34 Cb 1.71 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.83 1ihq h LEU 34 CO 0.17 0.66 -0.35 -0.37 -0.13 0.00 0.00 178.44 178.42 1ihq h VAL 35 N -1.00 0.00 0.00 1.05 -1.51 -0.07 -3.44 116.25 111.28 1ihq h VAL 35 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1ihq h VAL 35 Cb 0.31 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.47 1ihq h VAL 35 CO -0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1ihq n GLY 36 N -1.40 0.89 6.69 5.19 0.00 -0.41 -4.91 105.19 111.25 1ihq n GLY 36 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ihq n GLY 36 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ihq n GLU 37 N 0.00 0.00 0.00 1.61 2.13 -1.26 -5.04 120.64 118.08 1ihq n GLU 37 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ihq n GLU 37 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ihq n GLU 37 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59