#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq n LYS 2 N 0.00 -0.53 -0.05 2.12 4.81 -1.26 -4.56 118.16 118.69 2hgq n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2hgq n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2hgq n LYS 2 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2hgq n ARG 3 N -0.46 0.20 -0.14 1.64 3.00 -1.26 -4.63 116.66 115.02 2hgq n ARG 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2hgq n ARG 3 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.06 2hgq n ARG 3 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2hgq n THR 4 N 1.38 0.00 0.00 0.55 -2.24 -1.26 -4.85 114.28 107.87 2hgq n THR 4 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2hgq n THR 4 Cb 0.10 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 2hgq n THR 4 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2hgq n TRP 5 N -1.49 0.00 -3.25 4.78 -0.00 -1.26 -4.91 117.44 111.31 2hgq n TRP 5 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.50 57.28 2hgq n TRP 5 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.33 2hgq n TRP 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2hgq n GLN 6 N 0.00 -1.18 -1.71 5.87 0.00 -1.26 -4.95 117.38 114.15 2hgq n GLN 6 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 57.00 57.79 2hgq n GLN 6 Cb 0.00 -1.49 0.22 0.00 0.00 0.00 0.00 30.24 28.97 2hgq n GLN 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2hgq s PRO 7 N -1.76 -0.13 -0.15 2.61 0.04 -1.26 -5.08 135.00 129.27 2hgq s PRO 7 Ca 0.22 -0.42 -0.02 0.00 0.04 0.00 0.00 61.00 60.81 2hgq s PRO 7 Cb -0.02 -1.76 0.05 0.00 0.04 0.00 0.00 34.50 32.81 2hgq s PRO 7 CO 0.49 -2.93 0.02 1.21 0.04 0.00 0.00 177.00 175.84 2hgq s ASN 8 N -4.70 2.44 0.14 6.66 3.04 -1.26 -4.98 114.94 116.27 2hgq s ASN 8 Ca 0.75 -0.56 -0.24 0.00 0.04 0.00 0.00 52.86 52.86 2hgq s ASN 8 Cb -0.04 -0.54 -0.02 0.00 -1.54 0.00 0.00 41.25 39.11 2hgq s ASN 8 CO 0.54 -0.27 1.25 0.54 -3.04 0.00 0.00 177.10 176.13 2hgq n ARG 9 N 5.09 -0.33 0.00 0.43 1.74 -1.26 -0.74 116.66 121.59 2hgq n ARG 9 Ca -0.08 1.23 0.00 0.00 -0.77 0.00 0.00 57.85 58.23 2hgq n ARG 9 Cb 0.48 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2hgq n ARG 9 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hgq n ARG 10 N -5.04 0.00 0.00 5.56 1.74 -1.26 -1.16 116.66 116.50 2hgq n ARG 10 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2hgq n ARG 10 Cb 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.67 2hgq n ARG 10 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2hgq n LYS 11 N 0.00 0.00 0.05 5.56 3.00 -1.07 0.77 118.16 126.48 2hgq n LYS 11 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2hgq n LYS 11 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 2hgq n LYS 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2hgq h ARG 12 N 0.00 -0.17 -0.56 1.64 2.43 -1.05 0.10 114.38 116.78 2hgq h ARG 12 Ca 0.00 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.29 2hgq h ARG 12 Cb 0.00 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 29.48 2hgq h ARG 12 CO 0.00 0.25 -0.22 0.00 -1.51 0.00 0.00 179.97 178.49 2hgq h ALA 13 N 0.08 0.20 -3.00 2.80 0.00 0.19 -1.29 119.26 118.24 2hgq h ALA 13 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2hgq h ALA 13 Cb 0.50 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2hgq h ALA 13 CO 0.03 -0.54 0.00 1.63 0.00 0.00 0.00 179.25 180.37 2hgq n LYS 14 N -5.42 0.00 -0.23 0.00 5.02 0.53 -2.64 118.16 115.42 2hgq n LYS 14 Ca 0.05 0.20 0.08 0.00 -2.02 0.00 0.00 58.31 56.62 2hgq n LYS 14 Cb 0.33 -1.00 0.17 0.00 -0.02 0.00 0.00 35.03 34.51 2hgq n LYS 14 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2hgq n THR 15 N -0.69 -0.28 -4.46 -0.18 -2.24 0.33 -4.10 114.28 102.65 2hgq n THR 15 Ca 0.00 1.48 -0.34 0.00 -2.27 0.00 0.00 64.05 62.92 2hgq n THR 15 Cb 0.00 -2.13 -0.14 0.00 -2.10 0.00 0.00 70.33 65.97 2hgq n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2hgq s HIS 16 N -5.63 2.88 -0.11 4.78 3.76 -0.51 -4.92 115.29 115.55 2hgq s HIS 16 Ca -0.09 -0.69 -0.30 0.00 -0.15 0.00 0.00 55.06 53.82 2hgq s HIS 16 Cb 0.19 -1.93 0.12 0.00 1.11 0.00 0.00 32.58 32.07 2hgq s HIS 16 CO 0.52 -0.29 0.99 0.20 -0.85 0.00 0.00 174.74 175.31 2hgq s GLY 17 N 0.67 -0.33 0.09 -2.22 0.00 -1.26 -4.69 107.32 99.58 2hgq s GLY 17 Ca -0.05 1.64 -0.17 0.00 0.00 0.00 0.00 44.72 46.14 2hgq s GLY 17 CO 0.02 0.73 0.89 0.69 0.00 0.00 0.00 173.10 175.43 2hgq n PHE 18 N 0.29 -0.24 0.00 1.90 3.01 -1.24 -0.34 117.46 120.83 2hgq n PHE 18 Ca -0.08 0.68 0.00 0.00 1.01 0.00 0.00 57.45 59.06 2hgq n PHE 18 Cb 0.59 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 2hgq n PHE 18 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2hgq n ARG 19 N -4.57 0.00 -0.22 -1.08 3.00 -1.26 -1.03 116.66 111.50 2hgq n ARG 19 Ca 0.01 0.48 -0.02 0.00 -0.01 0.00 0.00 57.85 58.32 2hgq n ARG 19 Cb 0.14 -0.98 0.00 0.00 0.00 0.00 0.00 32.46 31.62 2hgq n ARG 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hgq n ALA 20 N -1.05 -0.14 -0.17 7.54 0.00 0.54 0.13 120.51 127.36 2hgq n ALA 20 Ca 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 53.44 53.94 2hgq n ALA 20 Cb 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 19.45 19.30 2hgq n ALA 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2hgq h ARG 21 N 0.00 0.47 0.00 0.00 9.65 -0.22 0.19 114.38 124.48 2hgq h ARG 21 Ca 0.17 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 2hgq h ARG 21 Cb 0.31 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.78 2hgq h ARG 21 CO -0.55 0.31 -0.11 0.52 2.80 0.00 0.00 179.97 182.95 2hgq h MET 22 N 0.49 0.00 0.33 0.20 2.86 0.28 1.25 114.93 120.34 2hgq h MET 22 Ca 0.23 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 2hgq h MET 22 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2hgq h MET 22 CO -0.17 0.11 -0.16 0.00 1.06 0.00 0.00 176.91 177.74 2hgq h ARG 23 N 0.00 -0.43 -6.73 1.72 3.08 0.11 -3.41 114.38 108.73 2hgq h ARG 23 Ca -0.00 0.03 -0.53 0.00 0.07 0.00 0.00 59.98 59.55 2hgq h ARG 23 Cb 0.20 0.10 0.05 0.00 0.08 0.00 0.00 29.97 30.40 2hgq h ARG 23 CO 0.01 -0.29 0.74 -0.08 -1.07 0.00 0.00 179.97 179.29 2hgq s THR 24 N -3.99 2.77 0.26 2.04 -1.32 -1.04 -4.89 115.64 109.48 2hgq s THR 24 Ca -0.07 0.64 -0.04 0.00 -1.21 0.00 0.00 61.69 61.01 2hgq s THR 24 Cb 0.01 -3.41 0.26 0.00 -1.51 0.00 0.00 72.50 67.85 2hgq s THR 24 CO 0.20 0.10 1.92 1.55 -2.21 0.00 0.00 174.62 176.18 2hgq h PRO 25 N 5.18 1.25 -0.53 7.08 0.13 -1.83 -0.31 132.00 142.97 2hgq h PRO 25 Ca -0.46 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 2hgq h PRO 25 Cb 1.22 -0.28 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 2hgq h PRO 25 CO 0.78 0.83 0.22 0.78 -0.23 0.00 0.00 178.00 180.37 2hgq h GLY 26 N 1.28 0.85 0.00 1.56 0.00 -1.90 -0.28 103.07 104.58 2hgq h GLY 26 Ca 0.38 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2hgq h GLY 26 CO -0.10 0.43 0.00 0.61 0.00 0.00 0.00 176.54 177.48 2hgq n GLY 27 N -0.81 -2.76 0.42 4.60 0.00 -0.45 -0.91 105.19 105.28 2hgq n GLY 27 Ca 0.02 0.26 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 2hgq n GLY 27 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hgq h ARG 28 N 0.00 -0.14 -0.39 1.61 3.08 0.32 0.45 114.38 119.31 2hgq h ARG 28 Ca 0.00 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.13 2hgq h ARG 28 Cb 0.00 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 2hgq h ARG 28 CO 0.00 -0.09 -0.44 0.87 -1.07 0.00 0.00 179.97 179.24 2hgq h LYS 29 N -0.14 -0.33 -0.86 0.04 1.57 -0.86 0.72 116.57 116.71 2hgq h LYS 29 Ca 0.17 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 2hgq h LYS 29 Cb 0.51 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 2hgq h LYS 29 CO -0.81 -0.22 0.56 0.28 -0.57 0.00 0.00 179.45 178.69 2hgq h VAL 30 N -0.34 1.05 0.00 0.50 2.07 -0.14 -0.68 116.25 118.71 2hgq h VAL 30 Ca 0.13 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2hgq h VAL 30 Cb 0.59 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2hgq h VAL 30 CO -0.57 0.17 0.00 0.18 0.02 0.00 0.00 177.57 177.38 2hgq n LEU 31 N -4.49 0.00 -0.23 2.57 4.77 0.24 -0.86 117.00 119.00 2hgq n LEU 31 Ca 0.13 0.56 -0.00 0.00 -0.03 0.00 0.00 56.01 56.67 2hgq n LEU 31 Cb 0.21 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 2hgq n LEU 31 CO 0.33 -0.06 0.72 0.11 -1.33 0.00 0.00 177.39 177.16 2hgq h LYS 32 N 0.00 -0.01 0.00 3.23 1.57 -0.91 0.75 116.57 121.20 2hgq h LYS 32 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hgq h LYS 32 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2hgq h LYS 32 CO 0.00 -0.01 0.00 -2.13 -0.57 0.00 0.00 179.45 176.74 2hgq n ARG 33 N -5.46 0.00 0.20 3.15 0.63 -0.28 -1.06 116.66 113.83 2hgq n ARG 33 Ca 0.08 0.88 -0.13 0.00 -0.92 0.00 0.00 57.85 57.77 2hgq n ARG 33 Cb 0.35 -1.36 -0.07 0.00 0.45 0.00 0.00 32.46 31.83 2hgq n ARG 33 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2hgq h ARG 34 N 0.00 -0.68 0.00 -0.14 1.12 -0.21 0.73 114.38 115.20 2hgq h ARG 34 Ca 0.00 0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 2hgq h ARG 34 Cb 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 2hgq h ARG 34 CO 0.00 -0.45 0.00 0.54 -3.11 0.00 0.00 179.97 176.95 2hgq n ARG 35 N -4.62 0.00 -0.00 0.20 1.74 0.19 -0.78 116.66 113.38 2hgq n ARG 35 Ca -0.08 0.35 0.10 0.00 -0.77 0.00 0.00 57.85 57.45 2hgq n ARG 35 Cb 0.33 -0.55 -0.09 0.00 -1.02 0.00 0.00 32.46 31.13 2hgq n ARG 35 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2hgq n GLN 36 N -1.96 0.03 -0.19 5.56 3.00 -0.23 -0.68 117.38 122.91 2hgq n GLN 36 Ca 0.00 -0.01 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 2hgq n GLN 36 Cb 0.00 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 28.76 2hgq n GLN 36 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2hgq h LYS 37 N 0.00 0.80 0.00 -1.09 1.57 0.29 -3.36 116.57 114.78 2hgq h LYS 37 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2hgq h LYS 37 Cb 0.52 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2hgq h LYS 37 CO 0.00 0.66 -0.36 0.41 -0.57 0.00 0.00 179.45 179.59 2hgq n GLY 38 N -0.90 1.22 7.00 3.86 0.00 0.04 -5.05 105.19 111.36 2hgq n GLY 38 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2hgq n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgq n ARG 39 N -0.30 0.00 0.00 1.61 1.74 0.14 -4.94 116.66 114.91 2hgq n ARG 39 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2hgq n ARG 39 Cb 0.67 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.11 2hgq n ARG 39 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2hgq n TRP 40 N 12.41 0.00 0.00 -1.55 7.02 -1.26 -4.26 117.44 129.80 2hgq n TRP 40 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2hgq n TRP 40 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2hgq n TRP 40 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 2hgq n ARG 41 N 0.00 0.00 -3.29 -0.99 1.85 -1.26 -5.09 116.66 107.88 2hgq n ARG 41 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.88 2hgq n ARG 41 Cb 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.39 2hgq n ARG 41 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2hgq s LEU 42 N 0.00 -0.87 0.47 2.89 1.43 -1.26 -4.61 118.68 116.73 2hgq s LEU 42 Ca 0.00 0.78 0.29 0.00 -1.03 0.00 0.00 54.13 54.17 2hgq s LEU 42 Cb 0.00 1.82 1.35 0.00 0.03 0.00 0.00 46.19 49.40 2hgq s LEU 42 CO 0.00 -0.16 1.76 0.74 0.23 0.00 0.00 176.35 178.91 2hgq h THR 43 N 5.67 0.40 0.00 5.49 2.02 -1.98 5.08 112.91 129.59 2hgq h THR 43 Ca -0.18 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2hgq h THR 43 Cb 1.14 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2hgq h THR 43 CO 0.09 0.03 0.00 -0.81 0.37 0.00 0.00 175.52 175.20 2hgq n PRO 44 N -4.43 0.00 -0.07 6.66 -0.04 -1.26 0.71 135.00 136.58 2hgq n PRO 44 Ca 0.28 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.72 2hgq n PRO 44 Cb 1.15 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 33.03 2hgq n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hgq n ALA 45 N -1.05 1.70 -0.14 0.55 0.00 1.64 -3.68 120.51 119.54 2hgq n ALA 45 Ca 0.00 -0.66 0.10 0.00 0.00 0.00 0.00 53.44 52.88 2hgq n ALA 45 Cb 0.00 0.12 0.18 0.00 0.00 0.00 0.00 19.45 19.75 2hgq n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgq n VAL 46 N -2.76 -0.17 0.00 0.00 0.31 3.48 -4.67 118.33 114.52 2hgq n VAL 46 Ca -0.23 0.87 0.00 0.00 -0.01 0.00 0.00 64.34 64.97 2hgq n VAL 46 Cb 0.80 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 2hgq n VAL 46 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2hgq n ARG 47 N -4.18 0.00 -0.10 5.55 0.63 -0.82 -5.01 116.66 112.73 2hgq n ARG 47 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 2hgq n ARG 47 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 2hgq n ARG 47 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2hgq n LYS 48 N 0.00 3.43 -0.78 -0.14 3.00 -1.26 -5.14 118.16 117.27 2hgq n LYS 48 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2hgq n LYS 48 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2hgq n LYS 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27