#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1huc s PRO 2 N 0.00 1.19 0.34 3.23 0.04 -1.26 -4.92 135.00 133.62 1huc s PRO 2 Ca 0.00 1.40 0.24 0.00 0.04 0.00 0.00 61.00 62.69 1huc s PRO 2 Cb 0.00 -1.76 0.54 0.00 0.04 0.00 0.00 34.50 33.32 1huc s PRO 2 CO 0.00 -2.46 1.68 0.00 0.04 0.00 0.00 177.00 176.26 1huc h ALA 3 N -1.74 1.00 -3.26 8.56 0.00 -2.14 -3.44 119.26 118.24 1huc h ALA 3 Ca -0.44 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 1huc h ALA 3 Cb 1.26 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.81 1huc h ALA 3 CO 0.45 0.00 -0.67 -1.12 0.00 0.00 0.00 179.25 177.91 1huc s SER 4 N -5.50 0.09 -0.27 0.00 0.01 -1.26 -5.17 113.70 101.61 1huc s SER 4 Ca 0.09 -0.21 -0.14 0.00 1.31 0.00 0.00 55.95 56.99 1huc s SER 4 Cb 0.08 0.10 0.09 0.00 0.21 0.00 0.00 66.02 66.50 1huc s SER 4 CO 0.64 -0.18 0.66 0.12 0.41 0.00 0.00 173.24 174.89 1huc s PHE 5 N -0.79 -1.08 -0.16 2.43 5.36 -1.26 -5.14 117.98 117.34 1huc s PHE 5 Ca -0.09 2.10 -0.01 0.00 -0.96 0.00 0.00 56.93 57.98 1huc s PHE 5 Cb -0.05 0.64 0.04 0.00 -0.34 0.00 0.00 43.02 43.31 1huc s PHE 5 CO -0.00 -0.54 -0.04 0.34 -1.46 0.00 0.00 175.22 173.52 1huc s ASP 6 N 1.87 2.74 0.50 6.13 2.15 -1.26 -5.00 116.67 123.80 1huc s ASP 6 Ca -0.09 -0.64 0.29 0.00 0.43 0.00 0.00 52.55 52.55 1huc s ASP 6 Cb -0.07 -0.83 1.39 0.00 -0.30 0.00 0.00 42.92 43.11 1huc s ASP 6 CO -0.19 -0.20 1.84 0.00 -0.17 0.00 0.00 175.17 176.45 1huc h ALA 7 N 8.15 2.74 0.00 3.66 0.00 -1.98 -0.45 119.26 131.38 1huc h ALA 7 Ca -0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1huc h ALA 7 Cb 1.11 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1huc h ALA 7 CO 0.38 -1.06 -0.09 0.00 0.00 0.00 0.00 179.25 178.48 1huc h ARG 8 N 0.12 0.00 0.00 0.00 3.08 -1.89 -1.76 114.38 113.93 1huc h ARG 8 Ca 0.50 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 60.18 1huc h ARG 8 Cb 1.78 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.76 1huc h ARG 8 CO -0.08 0.09 -2.41 0.39 -1.07 0.00 0.00 179.97 176.89 1huc n GLU 9 N -3.24 0.62 -0.15 0.04 1.02 -0.27 -4.02 120.64 114.64 1huc n GLU 9 Ca 0.00 0.14 0.04 0.00 -0.02 0.00 0.00 57.16 57.33 1huc n GLU 9 Cb 0.35 -1.50 0.34 0.00 -0.02 0.00 0.00 31.44 30.61 1huc n GLU 9 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1huc h GLN 10 N -0.01 0.76 -2.18 3.49 5.75 -1.27 -3.28 115.11 118.38 1huc h GLN 10 Ca -0.56 -0.05 -0.59 0.00 -0.15 0.00 0.00 58.65 57.31 1huc h GLN 10 Cb 1.86 -0.17 -0.42 0.00 1.07 0.00 0.00 27.48 29.82 1huc h GLN 10 CO -0.09 0.50 -0.70 0.91 -2.65 0.00 0.00 178.83 176.80 1huc n TRP 11 N -4.46 3.07 0.13 3.99 8.01 -0.67 -4.91 117.44 122.61 1huc n TRP 11 Ca 0.08 -4.03 0.19 0.00 -1.31 0.00 0.00 57.50 52.43 1huc n TRP 11 Cb 0.13 -0.51 0.77 0.00 -2.01 0.00 0.00 31.31 29.70 1huc n TRP 11 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1huc h PRO 12 N 3.81 0.00 -0.00 -0.99 0.13 -1.70 -1.43 132.00 131.83 1huc h PRO 12 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1huc h PRO 12 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1huc h PRO 12 CO 0.77 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 178.50 1huc n GLN 13 N -3.84 0.46 -3.74 0.86 0.00 -1.26 -4.34 117.38 105.52 1huc n GLN 13 Ca 0.05 -0.05 -0.34 0.00 0.00 0.00 0.00 57.00 56.66 1huc n GLN 13 Cb 0.49 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.14 1huc n GLN 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1huc h PRO 15 N 6.25 0.00 0.00 0.00 0.13 -1.83 -2.85 132.00 133.71 1huc h PRO 15 Ca 0.08 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.12 1huc h PRO 15 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1huc h PRO 15 CO 0.77 0.00 -0.43 1.79 -0.23 0.00 0.00 178.00 179.90 1huc h THR 16 N 0.00 1.15 -0.58 1.56 1.35 -1.95 -2.83 112.91 111.61 1huc h THR 16 Ca 0.41 -1.54 0.17 0.00 -0.55 0.00 0.00 66.41 64.89 1huc h THR 16 Cb 1.65 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 69.92 1huc h THR 16 CO -0.00 0.42 0.53 0.40 -0.25 0.00 0.00 175.52 176.61 1huc h ILE 17 N 0.00 0.44 -0.26 6.82 2.04 -1.86 0.42 117.51 125.12 1huc h ILE 17 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1huc h ILE 17 Cb 0.83 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1huc h ILE 17 CO 0.06 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.50 1huc n LYS 18 N -3.91 2.17 -3.34 2.37 5.02 -1.07 -4.83 118.16 114.57 1huc n LYS 18 Ca 0.11 -1.75 -0.39 0.00 -2.02 0.00 0.00 58.31 54.26 1huc n LYS 18 Cb 0.75 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 34.22 1huc n LYS 18 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1huc s GLU 19 N -1.66 4.12 -0.32 1.97 2.12 0.15 -5.05 118.70 120.02 1huc s GLU 19 Ca 0.35 0.22 -0.13 0.00 0.36 0.00 0.00 54.97 55.78 1huc s GLU 19 Cb 0.20 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 1huc s GLU 19 CO 0.29 -0.17 0.24 0.42 -0.54 0.00 0.00 175.26 175.50 1huc s ILE 20 N 1.73 5.28 0.64 -3.70 -1.09 -1.26 -5.03 121.20 117.77 1huc s ILE 20 Ca 0.19 -0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.57 1huc s ILE 20 Cb -0.15 -3.67 0.10 0.00 -1.58 0.00 0.00 42.46 37.16 1huc s ILE 20 CO 0.09 0.06 0.88 -0.13 -1.23 0.00 0.00 174.94 174.60 1huc s ARG 21 N 1.75 2.04 -0.23 2.79 0.52 -1.26 -5.10 118.95 119.46 1huc s ARG 21 Ca 0.07 -1.35 -0.01 0.00 -0.52 0.00 0.00 55.73 53.92 1huc s ARG 21 Cb -0.17 -2.50 0.07 0.00 0.52 0.00 0.00 34.95 32.87 1huc s ARG 21 CO 0.11 -1.11 -0.00 0.34 0.02 0.00 0.00 175.30 174.66 1huc s ASP 22 N -4.68 3.54 0.00 0.23 -1.08 -1.26 -5.00 116.67 108.43 1huc s ASP 22 Ca 0.64 -1.12 0.17 0.00 -0.52 0.00 0.00 52.55 51.71 1huc s ASP 22 Cb -0.06 -0.94 0.97 0.00 -1.46 0.00 0.00 42.92 41.44 1huc s ASP 22 CO 0.41 -0.28 1.42 0.00 0.52 0.00 0.00 175.17 177.23 1huc n GLN 23 N 4.82 0.48 0.00 4.34 10.64 -1.26 -4.98 117.38 131.43 1huc n GLN 23 Ca -0.09 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 1huc n GLN 23 Cb 0.45 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.33 1huc n GLN 23 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1huc n GLY 24 N 0.05 0.60 3.07 2.61 0.00 -1.26 -3.94 105.19 106.32 1huc n GLY 24 Ca 0.12 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1huc n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1huc n SER 25 N -2.85 5.22 -3.64 1.61 7.64 -1.26 -4.83 113.62 115.51 1huc n SER 25 Ca 0.00 -3.08 -0.09 0.00 1.01 0.00 0.00 58.87 56.70 1huc n SER 25 Cb 0.00 -1.49 -0.07 0.00 -1.01 0.00 0.00 64.21 61.64 1huc n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1huc n GLY 27 N 3.24 4.81 1.26 0.00 0.00 -1.26 -4.51 105.19 108.74 1huc n GLY 27 Ca -0.16 -1.89 0.03 0.00 0.00 0.00 0.00 46.02 44.00 1huc n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1huc n SER 28 N 3.12 4.01 0.25 1.61 3.41 -1.26 -4.62 113.62 120.13 1huc n SER 28 Ca 0.59 -3.19 0.13 0.00 -0.26 0.00 0.00 58.87 56.14 1huc n SER 28 Cb 0.29 -0.62 0.62 0.00 -0.26 0.00 0.00 64.21 64.24 1huc n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1huc h TRP 30 N 0.00 0.24 0.14 0.00 5.08 -1.99 -1.47 115.95 117.95 1huc h TRP 30 Ca -0.00 -0.03 -0.29 0.00 1.08 0.00 0.00 58.89 59.65 1huc h TRP 30 Cb 0.54 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.64 1huc h TRP 30 CO 0.00 0.39 -1.43 0.00 -1.28 0.00 0.00 178.44 176.12 1huc h ALA 31 N 1.62 0.13 -0.28 0.11 0.00 -1.77 -3.22 119.26 115.85 1huc h ALA 31 Ca 0.04 -1.05 -0.01 0.00 0.00 0.00 0.00 54.91 53.89 1huc h ALA 31 Cb 0.43 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1huc h ALA 31 CO 0.03 0.82 0.11 0.74 0.00 0.00 0.00 179.25 180.95 1huc h PHE 32 N -0.19 0.38 -0.03 0.00 0.04 -1.13 -0.65 116.94 115.37 1huc h PHE 32 Ca -0.29 -0.01 -0.23 0.00 2.80 0.00 0.00 57.97 60.24 1huc h PHE 32 Cb 1.85 -0.12 0.02 0.00 2.20 0.00 0.00 35.95 39.89 1huc h PHE 32 CO 0.13 0.31 -0.88 0.78 -0.60 0.00 0.00 178.31 178.05 1huc h GLY 33 N 0.54 0.72 0.85 -1.45 0.00 -1.35 -2.95 103.07 99.42 1huc h GLY 33 Ca 0.10 -1.20 -0.04 0.00 0.00 0.00 0.00 47.33 46.19 1huc h GLY 33 CO -0.01 1.06 -0.36 0.00 0.00 0.00 0.00 176.54 177.24 1huc h ALA 34 N 0.41 -1.00 0.00 3.60 0.00 -1.40 -2.62 119.26 118.25 1huc h ALA 34 Ca -0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1huc h ALA 34 Cb 1.54 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1huc h ALA 34 CO 0.17 -0.98 -0.01 -0.39 0.00 0.00 0.00 179.25 178.04 1huc h VAL 35 N -1.17 0.10 0.14 0.00 -1.51 -1.27 -0.10 116.25 112.45 1huc h VAL 35 Ca -0.10 -0.17 -0.32 0.00 -1.23 0.00 0.00 66.70 64.88 1huc h VAL 35 Cb 0.79 1.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1huc h VAL 35 CO 0.17 0.01 -1.61 -0.33 -1.23 0.00 0.00 177.57 174.58 1huc h GLU 36 N 0.00 0.30 -0.11 5.19 5.08 -1.52 -0.37 114.58 123.16 1huc h GLU 36 Ca -0.00 -0.52 -0.18 0.00 -1.00 0.00 0.00 59.36 57.66 1huc h GLU 36 Cb 0.15 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1huc h GLU 36 CO 0.00 1.18 -0.68 0.00 -1.00 0.00 0.00 179.01 178.51 1huc h ALA 37 N 0.36 0.61 -0.56 3.43 0.00 -1.07 -2.82 119.26 119.22 1huc h ALA 37 Ca -0.28 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 1huc h ALA 37 Cb 2.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 1huc h ALA 37 CO 0.17 0.73 0.31 0.82 0.00 0.00 0.00 179.25 181.29 1huc h ILE 38 N 0.33 1.18 -0.14 0.00 2.04 -1.04 -2.28 117.51 117.61 1huc h ILE 38 Ca -0.02 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.43 1huc h ILE 38 Cb 1.25 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1huc h ILE 38 CO 0.12 0.19 -0.09 0.28 0.00 0.00 0.00 178.15 178.66 1huc h SER 39 N 0.75 -0.29 -0.52 1.72 0.02 -0.94 -2.36 113.55 111.94 1huc h SER 39 Ca 0.20 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 1huc h SER 39 Cb 0.03 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 1huc h SER 39 CO -0.03 -0.12 0.27 0.44 -1.14 0.00 0.00 176.83 176.25 1huc h ASP 40 N -0.09 0.40 0.58 3.07 3.32 -1.24 -2.94 116.42 119.52 1huc h ASP 40 Ca 0.08 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 1huc h ASP 40 Cb 0.21 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1huc h ASP 40 CO -0.19 0.28 -0.65 0.03 -1.72 0.00 0.00 179.24 176.99 1huc h ARG 41 N 0.53 0.06 -0.82 3.56 3.08 -1.04 -1.38 114.38 118.37 1huc h ARG 41 Ca 0.23 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1huc h ARG 41 Cb 0.12 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1huc h ARG 41 CO -0.15 0.69 0.43 0.82 -1.07 0.00 0.00 179.97 180.69 1huc h ILE 42 N 0.04 1.25 -0.14 2.04 2.04 -1.33 -1.66 117.51 119.75 1huc h ILE 42 Ca -0.01 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1huc h ILE 42 Cb 1.15 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1huc h ILE 42 CO 0.09 0.28 -0.10 0.00 0.00 0.00 0.00 178.15 178.43 1huc h ILE 44 N -0.05 1.22 -0.58 0.00 2.04 -1.11 -2.87 117.51 116.17 1huc h ILE 44 Ca 0.03 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1huc h ILE 44 Cb 0.59 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1huc h ILE 44 CO 0.03 0.22 0.00 1.41 0.00 0.00 0.00 178.15 179.81 1huc n HIS 45 N -4.39 0.96 -4.01 1.37 8.25 -0.64 -4.87 115.22 111.90 1huc n HIS 45 Ca 0.09 -0.44 -0.30 0.00 -0.26 0.00 0.00 57.72 56.81 1huc n HIS 45 Cb 0.05 -0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 1huc n HIS 45 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1huc s THR 46 N -1.41 4.79 -0.56 1.59 -4.23 -1.08 -5.05 115.64 109.68 1huc s THR 46 Ca 0.41 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 1huc s THR 46 Cb 0.23 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1huc s THR 46 CO 0.25 0.11 0.14 0.59 -0.54 0.00 0.00 174.62 175.17