#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ihq h ALA 2 N 0.00 -0.34 -1.23 4.61 0.00 -2.11 -3.42 119.26 116.77 1ihq h ALA 2 Ca 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.50 1ihq h ALA 2 Cb 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.44 1ihq h ALA 2 CO 0.00 -0.34 -1.20 0.41 0.00 0.00 0.00 179.25 178.13 1ihq n GLY 3 N 0.96 1.99 3.24 0.00 0.00 -1.26 -5.09 105.19 105.04 1ihq n GLY 3 Ca -0.01 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 1ihq n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ihq s SER 4 N -2.95 0.14 0.29 1.61 0.15 -1.26 -5.08 113.70 106.60 1ihq s SER 4 Ca 0.30 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1ihq s SER 4 Cb 0.43 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1ihq s SER 4 CO 0.01 -0.79 0.00 -1.20 1.20 0.00 0.00 173.24 172.47 1ihq n SER 5 N -0.11 -0.95 0.00 5.45 7.64 -1.26 -2.82 113.62 121.56 1ihq n SER 5 Ca -0.11 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1ihq n SER 5 Cb 0.63 1.06 0.00 0.00 -1.01 0.00 0.00 64.21 64.89 1ihq n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ihq n SER 6 N -3.35 -0.88 0.08 6.43 2.88 -1.26 -4.17 113.62 113.35 1ihq n SER 6 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1ihq n SER 6 Cb 0.00 0.77 -0.14 0.00 -0.75 0.00 0.00 64.21 64.09 1ihq n SER 6 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ihq h LEU 7 N 0.00 0.41 -0.05 2.46 7.12 -2.02 -2.45 115.31 120.78 1ihq h LEU 7 Ca 0.00 -0.50 -0.05 0.00 0.13 0.00 0.00 57.88 57.45 1ihq h LEU 7 Cb 0.00 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.00 1ihq h LEU 7 CO 0.00 1.41 -0.18 -0.33 -0.13 0.00 0.00 178.44 179.21 1ihq h GLU 8 N 0.07 0.21 -0.28 1.25 4.39 -1.97 0.42 114.58 118.67 1ihq h GLU 8 Ca -0.19 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.35 1ihq h GLU 8 Cb 2.00 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.67 1ihq h GLU 8 CO 0.18 0.79 0.17 0.00 -1.16 0.00 0.00 179.01 178.99 1ihq h ALA 9 N 0.42 0.35 0.00 3.43 0.00 -1.81 0.16 119.26 121.80 1ihq h ALA 9 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1ihq h ALA 9 Cb 0.81 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ihq h ALA 9 CO 0.04 -0.15 -0.41 0.28 0.00 0.00 0.00 179.25 179.01 1ihq h VAL 10 N 0.35 1.06 -0.44 0.00 2.07 -1.48 -0.50 116.25 117.31 1ihq h VAL 10 Ca 0.10 -1.51 -0.11 0.00 0.82 0.00 0.00 66.70 65.99 1ihq h VAL 10 Cb 0.01 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1ihq h VAL 10 CO -0.02 0.40 -0.17 -0.09 0.02 0.00 0.00 177.57 177.71 1ihq h ARG 11 N 0.00 0.89 0.00 1.57 2.43 0.82 0.41 114.38 120.50 1ihq h ARG 11 Ca -0.00 -0.37 -0.12 0.00 -0.81 0.00 0.00 59.98 58.67 1ihq h ARG 11 Cb 0.84 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1ihq h ARG 11 CO 0.05 1.02 -0.58 0.07 -1.51 0.00 0.00 179.97 179.02 1ihq h ARG 12 N 0.72 0.00 0.09 0.20 0.11 -0.51 -1.65 114.38 113.35 1ihq h ARG 12 Ca 0.10 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.91 1ihq h ARG 12 Cb 0.73 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.82 1ihq h ARG 12 CO 0.06 0.58 -1.17 0.87 0.10 0.00 0.00 179.97 180.41 1ihq h LYS 13 N 0.00 0.48 -0.12 0.08 6.56 -0.88 0.11 116.57 122.80 1ihq h LYS 13 Ca -0.01 -0.64 -0.05 0.00 -1.06 0.00 0.00 60.65 58.89 1ihq h LYS 13 Cb 1.35 0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 33.22 1ihq h LYS 13 CO 0.08 1.27 -0.14 0.97 -2.06 0.00 0.00 179.45 179.56 1ihq h ILE 14 N 0.21 1.36 -0.44 1.86 -0.00 -0.18 0.24 117.51 120.57 1ihq h ILE 14 Ca -0.15 -1.32 -0.12 0.00 -0.00 0.00 0.00 64.86 63.27 1ihq h ILE 14 Cb 1.84 1.97 -0.01 0.00 -0.00 0.00 0.00 36.82 40.62 1ihq h ILE 14 CO 0.21 0.38 -0.19 -0.09 -0.00 0.00 0.00 178.15 178.46 1ihq h ARG 15 N -0.10 0.91 0.16 2.19 9.65 -1.37 0.17 114.38 125.98 1ihq h ARG 15 Ca 0.02 -0.39 -0.01 0.00 -1.10 0.00 0.00 59.98 58.50 1ihq h ARG 15 Cb 0.67 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1ihq h ARG 15 CO 0.03 1.04 -0.07 0.77 2.80 0.00 0.00 179.97 184.54 1ihq h SER 16 N 0.75 -0.18 -0.96 -3.80 0.02 -0.76 -1.63 113.55 106.98 1ihq h SER 16 Ca 0.10 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1ihq h SER 16 Cb 0.76 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.29 1ihq h SER 16 CO 0.06 0.10 0.63 -0.07 -1.14 0.00 0.00 176.83 176.42 1ihq h LEU 17 N -0.46 1.11 0.08 5.07 3.38 -0.50 -1.02 115.31 122.96 1ihq h LEU 17 Ca -0.02 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ihq h LEU 17 Cb 0.36 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1ihq h LEU 17 CO 0.04 0.81 -0.29 -0.61 0.09 0.00 0.00 178.44 178.47 1ihq h GLN 18 N 1.30 -0.47 -0.94 1.13 4.15 -0.49 0.80 115.11 120.59 1ihq h GLN 18 Ca 0.35 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.86 1ihq h GLN 18 Cb -0.14 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.59 1ihq h GLN 18 CO -0.08 -0.31 0.61 0.93 -1.93 0.00 0.00 178.83 178.05 1ihq h GLU 19 N -0.49 1.10 -0.48 1.69 5.08 -0.93 -0.97 114.58 119.58 1ihq h GLU 19 Ca 0.04 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1ihq h GLU 19 Cb 0.53 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1ihq h GLU 19 CO -0.20 0.73 -0.03 0.37 -1.00 0.00 0.00 179.01 178.88 1ihq h GLN 20 N 1.13 0.81 -0.32 2.33 4.15 -0.26 0.19 115.11 123.15 1ihq h GLN 20 Ca 0.40 -0.24 0.01 0.00 0.77 0.00 0.00 58.65 59.59 1ihq h GLN 20 Cb 0.10 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1ihq h GLN 20 CO -0.15 0.84 0.19 -0.91 -1.93 0.00 0.00 178.83 176.87 1ihq h ASN 21 N 0.75 0.31 1.29 -0.69 2.35 0.19 0.43 115.58 120.20 1ihq h ASN 21 Ca 0.14 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1ihq h ASN 21 Cb 0.50 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1ihq h ASN 21 CO 0.03 0.23 -0.20 1.88 -1.65 0.00 0.00 177.43 177.71 1ihq h TYR 22 N 0.39 0.00 -0.04 1.19 -1.99 -1.06 0.16 116.97 115.62 1ihq h TYR 22 Ca 0.13 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.65 1ihq h TYR 22 Cb -0.00 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.74 1ihq h TYR 22 CO -0.07 0.20 -0.78 1.25 -0.00 0.00 0.00 178.16 178.75 1ihq h HIS 23 N 0.00 0.86 0.00 4.88 2.76 0.40 -0.91 115.15 123.14 1ihq h HIS 23 Ca -0.00 -0.44 -0.21 0.00 -2.20 0.00 0.00 60.37 57.51 1ihq h HIS 23 Cb 0.90 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.72 1ihq h HIS 23 CO 0.00 1.27 -1.02 -0.07 -1.30 0.00 0.00 177.93 176.80 1ihq h LEU 24 N 0.22 0.01 -0.23 0.26 3.38 -0.13 0.10 115.31 118.91 1ihq h LEU 24 Ca -0.09 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1ihq h LEU 24 Cb 1.45 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 1ihq h LEU 24 CO 0.16 1.00 -0.12 -0.08 0.09 0.00 0.00 178.44 179.49 1ihq h GLU 25 N 0.00 0.50 0.05 1.13 4.81 -0.70 0.42 114.58 120.79 1ihq h GLU 25 Ca -0.02 -0.22 -0.23 0.00 -0.13 0.00 0.00 59.36 58.76 1ihq h GLU 25 Cb 1.78 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.13 1ihq h GLU 25 CO 0.13 0.77 -1.08 -0.91 -0.73 0.00 0.00 179.01 177.20 1ihq h ASN 26 N 0.21 0.16 -0.15 1.04 2.35 -1.23 -1.69 115.58 116.28 1ihq h ASN 26 Ca 0.05 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 1ihq h ASN 26 Cb 0.63 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 1ihq h ASN 26 CO 0.04 1.12 -0.10 -0.08 -1.65 0.00 0.00 177.43 176.76 1ihq h GLU 27 N 0.03 0.33 -0.01 0.81 4.81 -0.73 -1.28 114.58 118.55 1ihq h GLU 27 Ca -0.06 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1ihq h GLU 27 Cb 1.82 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.20 1ihq h GLU 27 CO 0.16 0.67 -0.00 -0.24 -0.73 0.00 0.00 179.01 178.87 1ihq h VAL 28 N -0.02 1.28 -0.54 0.32 3.04 -0.23 0.43 116.25 120.53 1ihq h VAL 28 Ca 0.03 -0.84 0.11 0.00 -1.01 0.00 0.00 66.70 64.99 1ihq h VAL 28 Cb 0.59 1.84 -0.10 0.00 -2.01 0.00 0.00 31.29 31.61 1ihq h VAL 28 CO 0.03 0.22 -0.08 0.00 -1.01 0.00 0.00 177.57 176.73 1ihq h ALA 29 N 0.65 0.44 0.00 3.17 0.00 -1.34 0.61 119.26 122.79 1ihq h ALA 29 Ca 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1ihq h ALA 29 Cb 0.36 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ihq h ALA 29 CO 0.00 -0.42 -0.20 -0.09 0.00 0.00 0.00 179.25 178.55 1ihq h ARG 30 N 0.05 0.00 0.23 0.00 2.43 -1.13 -0.73 114.38 115.22 1ihq h ARG 30 Ca 0.27 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1ihq h ARG 30 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1ihq h ARG 30 CO -0.52 0.20 -0.11 1.25 -1.51 0.00 0.00 179.97 179.28 1ihq h LEU 31 N 0.00 -0.26 -1.15 3.80 5.85 0.48 0.26 115.31 124.29 1ihq h LEU 31 Ca -0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ihq h LEU 31 Cb 0.81 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1ihq h LEU 31 CO 0.03 -0.14 0.49 0.07 -0.34 0.00 0.00 178.44 178.54 1ihq h LYS 32 N -0.39 1.07 0.47 1.25 -0.00 -0.88 0.25 116.57 118.33 1ihq h LYS 32 Ca -0.03 -0.09 -0.02 0.00 -0.00 0.00 0.00 60.65 60.51 1ihq h LYS 32 Cb 0.23 -0.23 -0.01 0.00 -0.00 0.00 0.00 32.23 32.23 1ihq h LYS 32 CO 0.05 0.74 -0.33 -0.22 -0.00 0.00 0.00 179.45 179.69 1ihq h LYS 33 N 1.09 -0.73 -0.78 0.07 3.64 -1.15 0.65 116.57 119.35 1ihq h LYS 33 Ca 0.29 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.82 1ihq h LYS 33 Cb -0.06 0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 31.85 1ihq h LYS 33 CO -0.06 -0.49 0.42 1.25 -2.27 0.00 0.00 179.45 178.30 1ihq h LEU 34 N -0.76 0.57 0.05 5.20 7.12 -0.28 -2.82 115.31 124.38 1ihq h LEU 34 Ca -0.06 0.06 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 1ihq h LEU 34 Cb 0.63 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1ihq h LEU 34 CO 0.03 0.31 -0.05 0.58 -0.13 0.00 0.00 178.44 179.19 1ihq h VAL 35 N 0.69 0.00 -5.53 1.05 2.07 -0.13 -3.44 116.25 110.96 1ihq h VAL 35 Ca 0.39 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.65 1ihq h VAL 35 Cb 0.41 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.07 1ihq h VAL 35 CO -0.27 0.00 -0.39 0.61 0.02 0.00 0.00 177.57 177.54 1ihq n GLY 36 N -1.06 -0.08 0.00 2.17 0.00 0.22 -4.84 105.19 101.60 1ihq n GLY 36 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.32 0.75 0.00 1.61 -0.00 -1.26 -5.12 120.64 114.30 1ihq n GLU 37 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.08 1ihq n GLU 37 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.70 1ihq n GLU 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00