#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 0.00 0.00 4.61 0.00 -1.26 -5.02 120.51 118.84 1ihq n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ihq n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 3.80 1.22 0.00 0.00 -1.26 -5.06 105.19 103.89 1ihq n GLY 3 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1ihq n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ihq n SER 4 N 0.00 -6.85 0.00 1.61 7.64 -1.26 -5.08 113.62 109.67 1ihq n SER 4 Ca 0.00 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1ihq n SER 4 Cb 0.00 -3.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 1ihq n SER 4 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ihq n SER 5 N -0.84 0.00 -3.32 6.43 3.41 -1.26 -5.16 113.62 112.88 1ihq n SER 5 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1ihq n SER 5 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1ihq n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ihq s SER 6 N 0.00 -1.15 0.08 4.04 0.01 -1.26 -5.02 113.70 110.40 1ihq s SER 6 Ca 0.00 1.03 0.05 0.00 1.31 0.00 0.00 55.95 58.33 1ihq s SER 6 Cb 0.00 2.09 -0.23 0.00 0.21 0.00 0.00 66.02 68.09 1ihq s SER 6 CO 0.00 -0.22 1.14 0.17 0.41 0.00 0.00 173.24 174.74 1ihq h LEU 7 N 7.96 0.11 0.16 2.44 -0.00 -2.02 -2.08 115.31 121.88 1ihq h LEU 7 Ca -0.20 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.55 1ihq h LEU 7 Cb 1.14 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1ihq h LEU 7 CO 0.16 1.10 -0.08 1.05 -0.00 0.00 0.00 178.44 180.68 1ihq h GLU 8 N 0.02 -0.21 -0.12 0.17 -0.00 -1.97 1.38 114.58 113.85 1ihq h GLU 8 Ca -0.09 0.01 -0.02 0.00 -0.00 0.00 0.00 59.36 59.26 1ihq h GLU 8 Cb 1.86 0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 30.65 1ihq h GLU 8 CO 0.14 0.01 -0.01 0.00 -0.00 0.00 0.00 179.01 179.15 1ihq h ALA 9 N 0.40 0.17 0.00 1.06 0.00 -1.99 -1.24 119.26 117.66 1ihq h ALA 9 Ca -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1ihq h ALA 9 Cb 0.32 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ihq h ALA 9 CO 0.04 -0.12 -0.15 0.28 0.00 0.00 0.00 179.25 179.30 1ihq h VAL 10 N -0.06 0.85 0.21 0.00 2.07 -1.34 -0.34 116.25 117.64 1ihq h VAL 10 Ca 0.03 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1ihq h VAL 10 Cb 0.40 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1ihq h VAL 10 CO 0.01 0.14 -0.10 -0.09 0.02 0.00 0.00 177.57 177.55 1ihq h ARG 11 N 0.00 -0.28 0.00 1.57 2.43 0.23 0.20 114.38 118.53 1ihq h ARG 11 Ca -0.00 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1ihq h ARG 11 Cb 0.31 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1ihq h ARG 11 CO 0.02 0.08 -0.10 0.07 -1.51 0.00 0.00 179.97 178.53 1ihq h ARG 12 N -0.70 0.00 0.07 0.20 0.11 -0.93 0.23 114.38 113.36 1ihq h ARG 12 Ca -0.03 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.87 1ihq h ARG 12 Cb 0.48 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.58 1ihq h ARG 12 CO 0.05 0.10 -0.77 -0.22 0.10 0.00 0.00 179.97 179.23 1ihq h LYS 13 N 0.00 0.39 -0.27 0.08 3.64 -0.90 0.43 116.57 119.93 1ihq h LYS 13 Ca -0.00 -0.52 -0.07 0.00 -1.27 0.00 0.00 60.65 58.79 1ihq h LYS 13 Cb 0.35 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ihq h LYS 13 CO 0.01 1.19 -0.11 0.97 -2.27 0.00 0.00 179.45 179.25 1ihq h ILE 14 N -0.18 1.29 -0.58 2.00 -0.00 -0.09 0.35 117.51 120.31 1ihq h ILE 14 Ca -0.12 -1.18 -0.11 0.00 -0.00 0.00 0.00 64.86 63.46 1ihq h ILE 14 Cb 1.52 1.49 -0.02 0.00 -0.00 0.00 0.00 36.82 39.81 1ihq h ILE 14 CO 0.15 0.37 -0.05 -0.09 -0.00 0.00 0.00 178.15 178.52 1ihq h ARG 15 N 0.30 1.06 0.06 2.19 1.12 -0.65 -0.10 114.38 118.35 1ihq h ARG 15 Ca 0.06 -0.36 -0.00 0.00 -1.11 0.00 0.00 59.98 58.57 1ihq h ARG 15 Cb 0.61 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.49 1ihq h ARG 15 CO 0.04 1.06 -0.03 1.03 -3.11 0.00 0.00 179.97 178.96 1ihq h SER 16 N 0.95 -0.07 -0.73 -3.80 0.87 -0.80 -1.64 113.55 108.33 1ihq h SER 16 Ca 0.16 -0.33 0.08 0.00 -1.23 0.00 0.00 61.79 60.46 1ihq h SER 16 Cb 0.62 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 1ihq h SER 16 CO 0.04 0.30 0.48 -0.07 -0.53 0.00 0.00 176.83 177.05 1ihq h LEU 17 N -0.45 0.63 0.22 2.23 3.38 -0.25 -0.52 115.31 120.55 1ihq h LEU 17 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ihq h LEU 17 Cb 0.40 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ihq h LEU 17 CO 0.01 0.40 -0.10 -0.61 0.09 0.00 0.00 178.44 178.23 1ihq h GLN 18 N 0.71 -0.28 -0.91 1.13 4.15 -0.81 0.31 115.11 119.41 1ihq h GLN 18 Ca 0.32 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.84 1ihq h GLN 18 Cb 0.33 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.02 1ihq h GLN 18 CO -0.11 -0.10 0.57 0.93 -1.93 0.00 0.00 178.83 178.19 1ihq h GLU 19 N -0.41 0.97 -0.29 1.69 5.08 -0.49 -0.43 114.58 120.69 1ihq h GLU 19 Ca -0.03 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1ihq h GLU 19 Cb 0.32 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1ihq h GLU 19 CO 0.05 0.64 -0.30 0.37 -1.00 0.00 0.00 179.01 178.77 1ihq h GLN 20 N 1.00 0.61 -0.60 2.33 4.15 -0.86 0.11 115.11 121.84 1ihq h GLN 20 Ca 0.41 -0.26 0.02 0.00 0.77 0.00 0.00 58.65 59.59 1ihq h GLN 20 Cb 0.26 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 1ihq h GLN 20 CO -0.20 0.84 0.38 -0.91 -1.93 0.00 0.00 178.83 177.01 1ihq h ASN 21 N 0.52 0.63 1.46 -0.69 -0.26 0.12 0.73 115.58 118.09 1ihq h ASN 21 Ca 0.06 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.72 1ihq h ASN 21 Cb 0.78 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.89 1ihq h ASN 21 CO 0.06 0.44 -0.37 0.22 -1.06 0.00 0.00 177.43 176.72 1ihq h TYR 22 N 0.75 0.00 -0.02 1.19 3.20 -1.06 0.11 116.97 121.15 1ihq h TYR 22 Ca 0.24 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.98 1ihq h TYR 22 Cb -0.01 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.27 1ihq h TYR 22 CO -0.05 0.37 -0.48 0.45 -1.64 0.00 0.00 178.16 176.82 1ihq h HIS 23 N 0.00 0.52 0.00 -3.82 3.86 0.25 -1.57 115.15 114.39 1ihq h HIS 23 Ca -0.00 -0.27 -0.14 0.00 -1.16 0.00 0.00 60.37 58.80 1ihq h HIS 23 Cb 1.20 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 1ihq h HIS 23 CO 0.00 1.07 -0.65 -0.07 0.86 0.00 0.00 177.93 179.14 1ihq h LEU 24 N -0.18 0.00 -0.20 2.43 4.07 0.39 -0.70 115.31 121.12 1ihq h LEU 24 Ca -0.05 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.85 1ihq h LEU 24 Cb 1.18 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.92 1ihq h LEU 24 CO 0.09 0.65 -0.11 -0.08 -1.08 0.00 0.00 178.44 177.91 1ihq h GLU 25 N 0.00 0.42 0.01 1.13 4.81 -0.79 0.37 114.58 120.53 1ihq h GLU 25 Ca -0.01 -0.19 -0.20 0.00 -0.13 0.00 0.00 59.36 58.83 1ihq h GLU 25 Cb 1.45 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 1ihq h GLU 25 CO 0.08 0.72 -0.91 -0.91 -0.73 0.00 0.00 179.01 177.27 1ihq h ASN 26 N 0.11 0.26 -0.01 1.04 2.35 -1.33 -1.78 115.58 116.22 1ihq h ASN 26 Ca 0.04 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1ihq h ASN 26 Cb 0.61 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 1ihq h ASN 26 CO 0.03 1.04 -0.00 -0.08 -1.65 0.00 0.00 177.43 176.77 1ihq h GLU 27 N 0.10 0.03 0.01 0.81 4.57 -1.06 -1.54 114.58 117.50 1ihq h GLU 27 Ca -0.05 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1ihq h GLU 27 Cb 1.55 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.14 1ihq h GLU 27 CO 0.14 0.41 -0.00 -0.24 -1.18 0.00 0.00 179.01 178.14 1ihq h VAL 28 N -0.36 1.06 -0.35 0.32 3.04 -0.32 0.37 116.25 120.00 1ihq h VAL 28 Ca 0.00 -0.21 0.07 0.00 -1.01 0.00 0.00 66.70 65.56 1ihq h VAL 28 Cb 0.41 1.20 -0.09 0.00 -2.01 0.00 0.00 31.29 30.80 1ihq h VAL 28 CO 0.00 0.05 -0.33 0.00 -1.01 0.00 0.00 177.57 176.29 1ihq h ALA 29 N 0.89 -0.22 0.00 3.17 0.00 -1.33 0.70 119.26 122.46 1ihq h ALA 29 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ihq h ALA 29 Cb 0.10 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ihq h ALA 29 CO 0.00 -0.74 -0.14 -0.09 0.00 0.00 0.00 179.25 178.28 1ihq h ARG 30 N -0.28 0.00 0.19 0.00 2.43 -1.07 -1.67 114.38 113.99 1ihq h ARG 30 Ca 0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1ihq h ARG 30 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1ihq h ARG 30 CO -0.51 0.14 -0.09 1.25 -1.51 0.00 0.00 179.97 179.25 1ihq h LEU 31 N 0.00 -0.22 -1.91 3.80 5.85 0.44 0.63 115.31 123.90 1ihq h LEU 31 Ca -0.00 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.90 1ihq h LEU 31 Cb 0.40 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1ihq h LEU 31 CO 0.02 -0.08 0.57 0.07 -0.34 0.00 0.00 178.44 178.68 1ihq h LYS 32 N -0.42 0.00 0.09 1.25 2.10 -0.03 1.14 116.57 120.70 1ihq h LYS 32 Ca -0.03 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.43 1ihq h LYS 32 Cb 0.20 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.55 1ihq h LYS 32 CO 0.04 0.00 -0.81 -0.22 -2.00 0.00 0.00 179.45 176.46 1ihq h LYS 33 N 0.00 0.38 0.20 0.07 3.64 -1.22 -2.72 116.57 116.92 1ihq h LYS 33 Ca 0.29 -0.54 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1ihq h LYS 33 Cb 1.43 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 1ihq h LYS 33 CO -0.00 1.22 -0.10 1.25 -2.27 0.00 0.00 179.45 179.55 1ihq h LEU 34 N -0.19 -0.23 -0.51 5.20 6.46 0.52 -3.19 115.31 123.38 1ihq h LEU 34 Ca -0.13 -0.26 0.09 0.00 -0.12 0.00 0.00 57.88 57.47 1ihq h LEU 34 Cb 1.58 0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 41.46 1ihq h LEU 34 CO 0.15 0.17 -0.32 -0.37 -0.62 0.00 0.00 178.44 177.46 1ihq h VAL 35 N -0.66 0.21 0.00 1.05 -1.51 0.90 -3.43 116.25 112.81 1ihq h VAL 35 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1ihq h VAL 35 Cb 0.47 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 29.84 1ihq h VAL 35 CO 0.04 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.99 1ihq n GLY 36 N -1.42 0.74 0.61 5.19 0.00 -1.02 -4.85 105.19 104.44 1ihq n GLY 36 Ca 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -0.85 -0.08 1.61 1.02 -1.26 -5.04 120.64 116.04 1ihq n GLU 37 Ca 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1ihq n GLU 37 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 1ihq n GLU 37 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18