#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h20 h GLN 2 N 0.00 0.00 -0.41 3.44 7.50 -2.05 -3.36 115.11 120.24 1h20 h GLN 2 Ca 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 58.90 1h20 h GLN 2 Cb 0.00 0.00 -0.32 0.00 0.05 0.00 0.00 27.48 27.21 1h20 h GLN 2 CO 0.00 0.00 -0.88 -2.39 -1.50 0.00 0.00 178.83 174.06 1h20 n HIS 3 N -2.61 0.16 -3.64 2.96 1.44 -1.26 -5.09 115.22 107.20 1h20 n HIS 3 Ca 0.04 -2.15 -0.04 0.00 -2.01 0.00 0.00 57.72 53.56 1h20 n HIS 3 Cb 0.43 0.31 -0.01 0.00 0.12 0.00 0.00 29.99 30.83 1h20 n HIS 3 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1h20 s ALA 4 N -2.44 -1.85 -0.24 1.59 0.00 -1.26 -5.13 121.76 112.43 1h20 s ALA 4 Ca 0.23 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.54 1h20 s ALA 4 Cb 0.38 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 1h20 s ALA 4 CO -0.05 -0.89 1.28 0.34 0.00 0.00 0.00 175.76 176.44 1h20 s ASP 5 N -2.73 6.79 0.00 0.00 3.68 -1.26 -2.58 116.67 120.57 1h20 s ASP 5 Ca 0.10 1.42 0.27 0.00 2.13 0.00 0.00 52.55 56.47 1h20 s ASP 5 Cb -0.00 -2.54 1.19 0.00 -1.45 0.00 0.00 42.92 40.12 1h20 s ASP 5 CO -0.03 -0.94 1.81 -0.81 0.13 0.00 0.00 175.17 175.34 1h20 n PRO 6 N 6.99 1.48 0.02 4.34 -0.04 -1.26 -4.12 135.00 142.41 1h20 n PRO 6 Ca 0.14 -0.70 -0.03 0.00 -0.04 0.00 0.00 63.50 62.88 1h20 n PRO 6 Cb 0.46 -1.45 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 1h20 n PRO 6 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1h20 h ILE 7 N 1.62 0.67 -0.92 0.52 6.09 -1.93 -3.47 117.51 120.10 1h20 h ILE 7 Ca 0.00 -2.27 -0.70 0.00 -1.37 0.00 0.00 64.86 60.53 1h20 h ILE 7 Cb 0.35 2.20 -0.02 0.00 0.47 0.00 0.00 36.82 39.82 1h20 h ILE 7 CO 0.00 0.38 1.34 0.00 -3.07 0.00 0.00 178.15 176.80 1h20 n ASN 9 N 8.87 -1.23 -4.72 0.00 3.02 0.18 -4.97 115.26 116.40 1h20 n ASN 9 Ca 0.42 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.56 1h20 n ASN 9 Cb 0.16 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1h20 n ASN 9 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1h20 s LYS 10 N -0.61 4.24 -0.00 3.52 2.47 0.15 -4.47 119.74 125.03 1h20 s LYS 10 Ca 0.00 2.30 -0.30 0.00 -1.56 0.00 0.00 55.97 56.41 1h20 s LYS 10 Cb 0.00 -3.16 -0.04 0.00 -1.46 0.00 0.00 37.83 33.16 1h20 s LYS 10 CO 0.00 -0.55 1.16 -2.14 0.16 0.00 0.00 175.35 173.98 1h20 s PRO 11 N 0.93 4.42 0.16 4.03 0.02 -1.26 -0.34 135.00 142.95 1h20 s PRO 11 Ca 0.68 1.66 -0.12 0.00 0.02 0.00 0.00 61.00 63.23 1h20 s PRO 11 Cb -0.42 -3.45 0.04 0.00 0.02 0.00 0.00 34.50 30.69 1h20 s PRO 11 CO 0.33 -0.30 0.60 0.00 -0.33 0.00 0.00 177.00 177.30 1h20 n LYS 13 N -0.42 2.68 -4.05 0.00 4.76 -1.26 -4.01 118.16 115.86 1h20 n LYS 13 Ca -0.03 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.16 1h20 n LYS 13 Cb 0.37 -0.90 -0.05 0.00 -1.84 0.00 0.00 35.03 32.62 1h20 n LYS 13 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1h20 s THR 14 N -1.74 1.99 -0.05 -0.18 -4.23 -1.26 -4.80 115.64 105.36 1h20 s THR 14 Ca 0.00 -1.62 0.13 0.00 -1.18 0.00 0.00 61.69 59.02 1h20 s THR 14 Cb 0.00 -2.60 -0.18 0.00 1.34 0.00 0.00 72.50 71.06 1h20 s THR 14 CO 0.00 0.00 0.86 1.12 -0.54 0.00 0.00 174.62 176.06 1h20 h HIS 15 N 1.13 0.00 0.00 3.99 2.07 -1.86 -3.05 115.15 117.44 1h20 h HIS 15 Ca -0.41 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.09 1h20 h HIS 15 Cb 1.28 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.26 1h20 h HIS 15 CO 0.84 0.83 -0.12 -0.44 -3.07 0.00 0.00 177.93 175.98 1h20 h ASP 16 N 0.00 0.00 0.73 3.10 5.19 -1.96 -0.99 116.42 122.49 1h20 h ASP 16 Ca -0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1h20 h ASP 16 Cb 1.80 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.31 1h20 h ASP 16 CO 0.08 0.12 0.00 0.44 -3.12 0.00 0.00 179.24 176.75 1h20 h ASP 17 N 0.00 0.00 0.44 6.45 3.32 -1.90 -1.92 116.42 122.81 1h20 h ASP 17 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1h20 h ASP 17 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1h20 h ASP 17 CO 0.02 0.00 -1.59 0.00 -1.72 0.00 0.00 179.24 175.94 1h20 n SER 19 N -2.50 0.00 0.11 0.00 3.41 -0.72 -1.05 113.62 112.87 1h20 n SER 19 Ca -0.05 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.69 1h20 n SER 19 Cb 0.62 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 65.01 1h20 n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h20 n GLY 20 N 0.00 -1.53 3.61 5.00 0.00 -1.26 -4.80 105.19 106.21 1h20 n GLY 20 Ca 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1h20 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h20 s ALA 21 N -3.19 0.44 0.00 4.61 0.00 -0.22 -5.02 121.76 118.39 1h20 s ALA 21 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1h20 s ALA 21 Cb 0.11 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1h20 s ALA 21 CO 0.51 -3.23 0.00 -2.67 0.00 0.00 0.00 175.76 170.37 1h20 n TRP 22 N -4.47 0.00 -0.05 0.00 4.27 -1.26 -4.81 117.44 111.12 1h20 n TRP 22 Ca 0.05 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.59 1h20 n TRP 22 Cb 0.57 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.50 1h20 n TRP 22 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1h20 n PHE 23 N -0.89 0.00 -1.41 -2.67 7.35 -1.26 -4.63 117.46 113.94 1h20 n PHE 23 Ca 0.00 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.44 1h20 n PHE 23 Cb 0.06 -0.37 -0.08 0.00 0.35 0.00 0.00 39.48 39.45 1h20 n PHE 23 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1h20 n GLN 25 N 1.37 0.95 -4.55 0.00 1.13 -1.16 -3.97 117.38 111.15 1h20 n GLN 25 Ca 0.49 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 55.33 1h20 n GLN 25 Cb 0.60 -1.33 -0.16 0.00 0.11 0.00 0.00 30.24 29.47 1h20 n GLN 25 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1h20 s ALA 26 N -2.00 1.09 -0.30 -1.58 0.00 -1.06 -4.58 121.76 113.34 1h20 s ALA 26 Ca 0.30 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 1h20 s ALA 26 Cb 0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1h20 s ALA 26 CO 0.23 0.20 0.24 0.00 0.00 0.00 0.00 175.76 176.43 1h20 s TRP 28 N 1.82 3.15 0.00 0.00 0.52 0.34 -4.69 118.94 120.08 1h20 s TRP 28 Ca 0.08 1.59 0.00 0.00 0.02 0.00 0.00 56.10 57.80 1h20 s TRP 28 Cb -0.16 -3.30 0.00 0.00 -1.15 0.00 0.00 33.47 28.86 1h20 s TRP 28 CO 0.11 -1.06 0.45 0.27 0.02 0.00 0.00 176.95 176.73 1h20 n ASN 29 N 0.06 0.00 0.15 2.95 6.94 -1.26 -0.85 115.26 123.24 1h20 n ASN 29 Ca 0.04 0.45 0.01 0.00 -0.02 0.00 0.00 54.58 55.06 1h20 n ASN 29 Cb 0.47 0.00 0.31 0.00 -2.36 0.00 0.00 39.78 38.20 1h20 n ASN 29 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1h20 h SER 30 N 0.00 0.08 1.31 0.53 4.64 -2.00 -2.70 113.55 115.41 1h20 h SER 30 Ca 0.00 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.15 1h20 h SER 30 Cb 0.00 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1h20 h SER 30 CO 0.00 0.46 -0.65 0.00 -0.87 0.00 0.00 176.83 175.77 1h20 h ALA 31 N 1.54 0.59 -7.15 5.18 0.00 -1.99 -3.47 119.26 113.97 1h20 h ALA 31 Ca 0.00 -0.59 -0.62 0.00 0.00 0.00 0.00 54.91 53.70 1h20 h ALA 31 Cb 0.72 -0.10 -0.33 0.00 0.00 0.00 0.00 17.79 18.07 1h20 h ALA 31 CO 0.05 0.81 -0.92 2.89 0.00 0.00 0.00 179.25 182.09 1h20 n ARG 32 N -3.28 -0.94 -4.00 0.00 -4.01 -0.03 -4.96 116.66 99.44 1h20 n ARG 32 Ca 0.01 0.15 -0.11 0.00 -1.04 0.00 0.00 57.85 56.86 1h20 n ARG 32 Cb 0.79 -4.48 -0.12 0.00 -3.04 0.00 0.00 32.46 25.62 1h20 n ARG 32 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 1h20 s THR 33 N -3.53 0.24 -0.83 8.89 -4.23 -1.24 -1.14 115.64 113.81 1h20 s THR 33 Ca 0.63 -0.82 -0.25 0.00 -1.18 0.00 0.00 61.69 60.06 1h20 s THR 33 Cb -0.36 -0.34 -0.11 0.00 1.34 0.00 0.00 72.50 73.03 1h20 s THR 33 CO 1.02 -0.37 2.26 0.00 -0.54 0.00 0.00 174.62 176.98 1h20 n GLY 35 N 6.83 0.70 3.52 0.00 0.00 0.97 -0.65 105.19 116.56 1h20 n GLY 35 Ca 0.45 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 1h20 n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h20 s PRO 36 N -3.99 -0.74 0.00 1.61 0.04 -1.26 -2.55 135.00 128.11 1h20 s PRO 36 Ca 0.39 0.76 0.15 0.00 0.04 0.00 0.00 61.00 62.34 1h20 s PRO 36 Cb -0.02 -1.58 0.77 0.00 0.04 0.00 0.00 34.50 33.71 1h20 s PRO 36 CO 0.26 -3.58 1.38 0.98 0.04 0.00 0.00 177.00 176.08 1h20 n TYR 37 N -4.81 0.00 0.00 0.56 9.36 -0.75 -3.86 117.16 117.66 1h20 n TYR 37 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 1h20 n TYR 37 Cb 0.55 -0.23 0.00 0.00 -0.63 0.00 0.00 39.34 39.03 1h20 n TYR 37 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1h20 n VAL 38 N -1.23 0.00 1.53 2.97 0.31 -1.26 -4.70 118.33 115.95 1h20 n VAL 38 Ca 0.08 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.53 1h20 n VAL 38 Cb 0.10 0.00 0.72 0.00 -0.91 0.00 0.00 33.84 33.76 1h20 n VAL 38 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12