#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h20 n GLN 2 N 0.00 -0.28 -1.96 3.44 3.00 -1.26 -5.09 117.38 115.23 1h20 n GLN 2 Ca 0.00 0.43 -0.15 0.00 -0.01 0.00 0.00 57.00 57.27 1h20 n GLN 2 Cb 0.00 -4.12 0.08 0.00 0.00 0.00 0.00 30.24 26.20 1h20 n GLN 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1h20 n HIS 3 N -3.39 -3.03 -1.93 1.08 1.44 -1.26 -5.09 115.22 103.03 1h20 n HIS 3 Ca -0.04 -1.20 -0.06 0.00 -2.01 0.00 0.00 57.72 54.41 1h20 n HIS 3 Cb 0.31 -0.48 -0.06 0.00 0.12 0.00 0.00 29.99 29.88 1h20 n HIS 3 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1h20 n ALA 4 N -2.90 3.02 -1.91 1.59 0.00 -1.26 -5.13 120.51 113.92 1h20 n ALA 4 Ca -0.11 -0.59 -0.35 0.00 0.00 0.00 0.00 53.44 52.39 1h20 n ALA 4 Cb 0.40 -0.32 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 1h20 n ALA 4 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1h20 s ASP 5 N -0.86 7.06 -0.00 0.00 1.47 -1.26 -4.95 116.67 118.14 1h20 s ASP 5 Ca 0.00 1.62 0.00 0.00 1.18 0.00 0.00 52.55 55.36 1h20 s ASP 5 Cb 0.00 -2.50 0.01 0.00 -0.34 0.00 0.00 42.92 40.08 1h20 s ASP 5 CO 0.00 -0.17 0.81 -0.81 0.68 0.00 0.00 175.17 175.68 1h20 n PRO 6 N 0.03 1.02 -0.06 2.11 -0.04 -1.26 -3.82 135.00 132.99 1h20 n PRO 6 Ca 0.03 -0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 1h20 n PRO 6 Cb 0.52 -1.20 -0.14 0.00 -0.04 0.00 0.00 33.50 32.64 1h20 n PRO 6 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1h20 n ILE 7 N -0.29 1.57 -1.52 0.52 0.13 -1.26 -4.86 119.36 113.63 1h20 n ILE 7 Ca 0.00 -0.75 -0.46 0.00 -1.10 0.00 0.00 62.75 60.45 1h20 n ILE 7 Cb 0.10 -1.09 -0.05 0.00 -0.84 0.00 0.00 39.64 37.76 1h20 n ILE 7 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1h20 n ASN 9 N 11.21 -1.23 -4.72 0.00 3.02 -0.64 -4.98 115.26 117.92 1h20 n ASN 9 Ca 0.36 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.49 1h20 n ASN 9 Cb 0.35 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.36 4.34 -0.36 3.52 2.47 0.13 -4.72 119.74 123.76 1h20 s LYS 10 Ca 0.00 2.04 -0.29 0.00 -1.56 0.00 0.00 55.97 56.16 1h20 s LYS 10 Cb 0.00 -3.25 0.01 0.00 -1.46 0.00 0.00 37.83 33.13 1h20 s LYS 10 CO 0.00 -0.39 1.28 -2.14 0.16 0.00 0.00 175.35 174.26 1h20 s PRO 11 N 0.89 3.81 0.12 4.03 0.02 -1.26 -1.63 135.00 140.99 1h20 s PRO 11 Ca 0.63 1.05 0.00 0.00 0.02 0.00 0.00 61.00 62.70 1h20 s PRO 11 Cb -0.36 -3.91 -0.00 0.00 0.02 0.00 0.00 34.50 30.25 1h20 s PRO 11 CO 0.31 -1.25 0.15 0.00 -0.33 0.00 0.00 177.00 175.88 1h20 n LYS 13 N -0.21 2.38 -3.44 0.00 4.76 -1.26 -4.08 118.16 116.30 1h20 n LYS 13 Ca 0.01 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.30 1h20 n LYS 13 Cb 0.21 -0.80 -0.04 0.00 -1.84 0.00 0.00 35.03 32.55 1h20 n LYS 13 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1h20 n THR 14 N -1.09 0.00 0.07 -0.18 -2.24 -1.26 -4.75 114.28 104.83 1h20 n THR 14 Ca 0.00 -1.47 0.01 0.00 -2.27 0.00 0.00 64.05 60.33 1h20 n THR 14 Cb 0.11 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.88 1h20 n THR 14 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1h20 h HIS 15 N 1.48 0.00 -0.69 4.78 2.07 -1.84 -2.82 115.15 118.12 1h20 h HIS 15 Ca -0.18 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.30 1h20 h HIS 15 Cb 0.74 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.69 1h20 h HIS 15 CO 0.00 0.52 0.27 -0.44 -3.07 0.00 0.00 177.93 175.21 1h20 h ASP 16 N 0.00 0.96 0.00 3.10 5.19 -1.97 -2.78 116.42 120.91 1h20 h ASP 16 Ca -0.10 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1h20 h ASP 16 Cb 1.48 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1h20 h ASP 16 CO 0.05 0.87 0.00 -0.67 -3.12 0.00 0.00 179.24 176.37 1h20 n ASP 17 N -4.37 0.24 0.00 6.45 2.03 -1.07 -0.71 116.55 119.12 1h20 n ASP 17 Ca 0.05 -1.34 0.00 0.00 0.52 0.00 0.00 54.79 54.02 1h20 n ASP 17 Cb 0.18 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1h20 n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h20 n SER 19 N -0.68 0.00 0.00 0.00 3.41 0.11 -0.80 113.62 115.66 1h20 n SER 19 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1h20 n SER 19 Cb 0.00 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.05 -0.99 3.77 5.00 0.00 -1.26 -4.84 105.19 106.82 1h20 n GLY 20 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 2.24 0.00 4.61 0.00 0.02 -4.95 121.76 121.68 1h20 s ALA 21 Ca 0.33 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1h20 s ALA 21 Cb 0.15 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1h20 s ALA 21 CO 0.25 -1.76 0.00 -2.67 0.00 0.00 0.00 175.76 171.59 1h20 n TRP 22 N -3.51 0.00 -0.00 0.00 4.27 -1.26 -4.81 117.44 112.13 1h20 n TRP 22 Ca 0.09 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.66 1h20 n TRP 22 Cb 0.53 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.47 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 -0.93 0.00 -1.37 -2.67 7.35 -1.26 -4.74 117.46 113.84 1h20 n PHE 23 Ca 0.00 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.45 1h20 n PHE 23 Cb 0.14 -0.19 -0.09 0.00 0.35 0.00 0.00 39.48 39.69 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 1.68 0.79 -4.60 0.00 1.13 -1.13 -3.77 117.38 111.47 1h20 n GLN 25 Ca 0.50 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 55.33 1h20 n GLN 25 Cb 0.62 -1.50 -0.16 0.00 0.11 0.00 0.00 30.24 29.31 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 -2.04 1.19 -0.37 -1.58 0.00 -0.75 -4.49 121.76 113.73 1h20 s ALA 26 Ca 0.38 -0.48 -0.16 0.00 0.00 0.00 0.00 51.96 51.70 1h20 s ALA 26 Cb 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1h20 s ALA 26 CO 0.31 0.19 0.36 0.00 0.00 0.00 0.00 175.76 176.62 1h20 s TRP 28 N 1.98 3.36 0.05 0.00 0.52 -0.87 -4.31 118.94 119.67 1h20 s TRP 28 Ca 0.10 1.63 -0.26 0.00 0.02 0.00 0.00 56.10 57.59 1h20 s TRP 28 Cb -0.17 -3.32 -0.13 0.00 -1.15 0.00 0.00 33.47 28.69 1h20 s TRP 28 CO 0.12 -0.87 1.40 -0.91 0.02 0.00 0.00 176.95 176.71 1h20 h ASN 29 N 3.29 -0.94 -0.57 2.95 2.35 -1.90 -0.29 115.58 120.47 1h20 h ASN 29 Ca -0.48 0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.26 1h20 h ASN 29 Cb 1.22 0.29 -0.02 0.00 0.05 0.00 0.00 38.32 39.85 1h20 h ASN 29 CO 0.65 -0.52 0.06 0.77 -1.65 0.00 0.00 177.43 176.74 1h20 h SER 30 N -0.82 0.96 0.88 5.81 4.64 -1.99 -2.41 113.55 120.63 1h20 h SER 30 Ca -0.07 -0.24 -0.21 0.00 -0.47 0.00 0.00 61.79 60.81 1h20 h SER 30 Cb 0.67 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 1h20 h SER 30 CO 0.03 0.99 -1.20 0.00 -0.87 0.00 0.00 176.83 175.78 1h20 h ALA 31 N 1.12 0.58 -5.07 5.18 0.00 -1.98 -3.48 119.26 115.61 1h20 h ALA 31 Ca 0.18 -0.99 -0.34 0.00 0.00 0.00 0.00 54.91 53.76 1h20 h ALA 31 Cb 0.46 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1h20 h ALA 31 CO 0.02 1.19 -0.50 2.89 0.00 0.00 0.00 179.25 182.86 1h20 n ARG 32 N -3.16 -3.22 -3.97 0.00 1.85 -0.12 -4.98 116.66 103.05 1h20 n ARG 32 Ca -0.06 0.50 -0.09 0.00 -1.00 0.00 0.00 57.85 57.20 1h20 n ARG 32 Cb 0.92 -5.19 -0.10 0.00 -1.05 0.00 0.00 32.46 27.04 1h20 n ARG 32 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1h20 s THR 33 N -2.85 0.14 -0.67 8.89 -4.23 -1.24 -0.92 115.64 114.75 1h20 s THR 33 Ca 0.31 -1.12 -0.26 0.00 -1.18 0.00 0.00 61.69 59.43 1h20 s THR 33 Cb -0.16 -0.74 -0.11 0.00 1.34 0.00 0.00 72.50 72.83 1h20 s THR 33 CO 0.38 -0.62 2.42 0.00 -0.54 0.00 0.00 174.62 176.26 1h20 s GLY 35 N 11.46 1.82 0.72 0.00 0.00 0.82 -1.62 107.32 120.52 1h20 s GLY 35 Ca 0.95 -1.64 -0.15 0.00 0.00 0.00 0.00 44.72 43.88 1h20 s GLY 35 CO 0.16 -1.28 1.21 2.56 0.00 0.00 0.00 173.10 175.74 1h20 s PRO 36 N -4.75 2.21 -0.52 2.90 0.04 -1.26 -1.80 135.00 131.82 1h20 s PRO 36 Ca 0.60 1.76 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 1h20 s PRO 36 Cb -0.08 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 1h20 s PRO 36 CO 0.39 -1.78 1.66 -0.47 0.04 0.00 0.00 177.00 176.83 1h20 s TYR 37 N -1.96 1.96 -0.64 0.56 5.04 -0.07 -4.21 117.35 118.03 1h20 s TYR 37 Ca 0.74 0.62 -0.06 0.00 -2.44 0.00 0.00 57.07 55.93 1h20 s TYR 37 Cb -0.29 -4.23 0.17 0.00 0.35 0.00 0.00 41.96 37.96 1h20 s TYR 37 CO 0.44 -2.31 0.49 0.14 -1.34 0.00 0.00 175.55 172.97 1h20 s VAL 38 N 7.29 4.21 0.00 3.14 -7.23 -1.26 -5.00 120.40 121.54 1h20 s VAL 38 Ca 0.64 -2.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1h20 s VAL 38 Cb -0.14 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.09 1h20 s VAL 38 CO 0.26 -0.89 0.00 0.61 -0.31 0.00 0.00 175.10 174.77