#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 -1.41 0.16 5.31 3.00 -1.26 -4.96 117.38 118.22 1h20 n GLN 2 Ca 0.00 0.60 0.03 0.00 -0.01 0.00 0.00 57.00 57.61 1h20 n GLN 2 Cb 0.00 -4.28 0.19 0.00 0.00 0.00 0.00 30.24 26.14 1h20 n GLN 2 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.06 178.18 1h20 h HIS 3 N -0.63 0.00 0.00 1.08 2.07 -2.03 -3.42 115.15 112.22 1h20 h HIS 3 Ca -0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.15 1h20 h HIS 3 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 1h20 h HIS 3 CO 0.19 0.51 0.00 0.00 -3.07 0.00 0.00 177.93 175.55 1h20 n ALA 4 N -2.30 0.00 -1.76 6.11 0.00 -1.26 -5.15 120.51 116.16 1h20 n ALA 4 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1h20 n ALA 4 Cb 0.63 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 1h20 n ALA 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h20 s ASP 5 N -0.61 7.48 0.08 0.00 -0.00 -1.26 -4.95 116.67 117.41 1h20 s ASP 5 Ca 0.00 2.05 0.28 0.00 -0.00 0.00 0.00 52.55 54.88 1h20 s ASP 5 Cb 0.00 -2.61 1.08 0.00 -0.00 0.00 0.00 42.92 41.39 1h20 s ASP 5 CO 0.00 0.03 1.87 -0.81 -0.00 0.00 0.00 175.17 176.26 1h20 n PRO 6 N 1.28 0.10 -0.00 8.23 -0.04 -1.26 -3.49 135.00 139.82 1h20 n PRO 6 Ca -0.01 0.08 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1h20 n PRO 6 Cb 0.47 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.78 1.24 -1.68 0.52 0.13 -1.26 -4.90 119.36 111.63 1h20 n ILE 7 Ca 0.06 -0.73 -0.47 0.00 -1.10 0.00 0.00 62.75 60.52 1h20 n ILE 7 Cb 0.37 -0.73 -0.04 0.00 -0.84 0.00 0.00 39.64 38.40 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 6.63 -3.30 -4.73 0.00 3.02 0.96 -4.67 115.26 113.17 1h20 n ASN 9 Ca 0.22 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.39 1h20 n ASN 9 Cb 0.31 -0.95 -0.03 0.00 -0.61 0.00 0.00 39.78 38.51 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 -1.57 4.26 -0.25 3.52 2.47 -0.35 -4.46 119.74 123.37 1h20 s LYS 10 Ca 0.00 2.28 -0.29 0.00 -1.56 0.00 0.00 55.97 56.40 1h20 s LYS 10 Cb 0.00 -3.14 -0.01 0.00 -1.46 0.00 0.00 37.83 33.22 1h20 s LYS 10 CO 0.00 -0.47 1.31 -2.14 0.16 0.00 0.00 175.35 174.21 1h20 s PRO 11 N 0.27 4.01 0.38 4.03 0.02 -1.26 -1.57 135.00 140.88 1h20 s PRO 11 Ca 0.63 1.41 0.04 0.00 0.02 0.00 0.00 61.00 63.10 1h20 s PRO 11 Cb -0.41 -3.85 -0.02 0.00 0.02 0.00 0.00 34.50 30.24 1h20 s PRO 11 CO 0.38 -0.99 0.16 0.00 -0.33 0.00 0.00 177.00 176.21 1h20 n LYS 13 N -0.84 0.00 -1.58 0.00 4.01 -1.26 -4.51 118.16 113.98 1h20 n LYS 13 Ca -0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 1h20 n LYS 13 Cb 0.59 -0.85 0.00 0.00 -0.51 0.00 0.00 35.03 34.25 1h20 n LYS 13 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1h20 n THR 14 N -2.25 0.00 0.07 -0.18 -2.24 -1.26 -4.69 114.28 103.72 1h20 n THR 14 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1h20 n THR 14 Cb 0.37 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.79 0.00 -0.48 4.78 2.07 -1.85 -2.96 115.15 117.50 1h20 h HIS 15 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 1h20 h HIS 15 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1h20 h HIS 15 CO 0.00 0.51 0.23 -0.44 -3.07 0.00 0.00 177.93 175.15 1h20 h ASP 16 N 0.00 0.60 0.76 3.10 3.32 -1.98 -1.89 116.42 120.34 1h20 h ASP 16 Ca -0.11 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1h20 h ASP 16 Cb 1.48 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1h20 h ASP 16 CO 0.05 0.52 0.00 -0.78 -1.72 0.00 0.00 179.24 177.30 1h20 h ASP 17 N 0.67 0.00 -0.35 6.45 1.82 -1.90 -1.06 116.42 122.06 1h20 h ASP 17 Ca 0.17 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.79 1h20 h ASP 17 Cb 0.08 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 1h20 h ASP 17 CO -0.02 0.00 0.01 0.00 -1.61 0.00 0.00 179.24 177.62 1h20 h SER 19 N 2.26 0.60 -0.59 0.00 4.64 -1.13 -3.05 113.55 116.29 1h20 h SER 19 Ca 0.02 0.11 -0.73 0.00 -0.47 0.00 0.00 61.79 60.72 1h20 h SER 19 Cb 1.61 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 63.63 1h20 h SER 19 CO 0.31 0.12 2.70 0.61 -0.87 0.00 0.00 176.83 179.70 1h20 n GLY 20 N -1.38 4.58 3.51 -0.77 0.00 -1.26 -4.82 105.19 105.04 1h20 n GLY 20 Ca 0.26 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 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 1.90 -1.77 -0.10 4.61 0.00 -1.15 -4.47 121.76 120.78 1h20 s ALA 21 Ca 0.45 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.57 1h20 s ALA 21 Cb 0.13 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.29 1h20 s ALA 21 CO -0.05 -0.49 -0.08 -2.67 0.00 0.00 0.00 175.76 172.47 1h20 n TRP 22 N 0.44 0.00 -0.04 0.00 4.27 -1.26 -4.84 117.44 116.01 1h20 n TRP 22 Ca -0.16 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.36 1h20 n TRP 22 Cb 0.60 -0.38 -0.03 0.00 -1.36 0.00 0.00 31.31 30.13 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 -2.78 0.00 -1.38 -2.67 -0.00 -1.26 -4.70 117.46 104.68 1h20 n PHE 23 Ca -0.17 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.01 1h20 n PHE 23 Cb 0.69 -0.35 -0.08 0.00 -0.00 0.00 0.00 39.48 39.74 1h20 n PHE 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1h20 h GLN 25 N 3.72 0.00 -5.95 0.00 1.08 -1.79 -3.37 115.11 108.80 1h20 h GLN 25 Ca 0.49 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 57.03 1h20 h GLN 25 Cb 0.82 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.15 1h20 h GLN 25 CO 0.96 0.00 -0.57 0.00 -0.95 0.00 0.00 178.83 178.28 1h20 s ALA 26 N -3.22 3.61 -0.37 3.87 0.00 -0.92 -4.65 121.76 120.07 1h20 s ALA 26 Ca 0.07 -0.84 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 1h20 s ALA 26 Cb 0.07 -1.63 0.05 0.00 0.00 0.00 0.00 23.12 21.62 1h20 s ALA 26 CO 0.63 0.68 0.18 0.00 0.00 0.00 0.00 175.76 177.24 1h20 s TRP 28 N 1.42 2.26 0.62 0.00 0.52 -0.38 -4.75 118.94 118.62 1h20 s TRP 28 Ca 0.01 -0.32 0.24 0.00 0.02 0.00 0.00 56.10 56.05 1h20 s TRP 28 Cb -0.21 -4.39 1.01 0.00 -1.15 0.00 0.00 33.47 28.74 1h20 s TRP 28 CO 0.03 -1.72 1.48 -0.97 0.02 0.00 0.00 176.95 175.79 1h20 h ASN 29 N 9.77 0.00 -0.28 2.95 -0.73 -1.84 0.57 115.58 126.02 1h20 h ASN 29 Ca 0.22 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.30 1h20 h ASN 29 Cb 0.97 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.55 1h20 h ASN 29 CO 1.33 0.00 -0.18 0.77 -0.37 0.00 0.00 177.43 178.98 1h20 h SER 30 N 0.00 0.64 0.13 1.15 4.64 -1.96 -3.26 113.55 114.89 1h20 h SER 30 Ca 0.31 -0.43 -0.32 0.00 -0.47 0.00 0.00 61.79 60.88 1h20 h SER 30 Cb 2.14 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 64.05 1h20 h SER 30 CO -0.00 0.93 -1.67 0.00 -0.87 0.00 0.00 176.83 175.22 1h20 h ALA 31 N 0.73 0.25 -2.35 5.18 0.00 -1.43 -3.49 119.26 118.15 1h20 h ALA 31 Ca 0.06 -1.20 -0.06 0.00 0.00 0.00 0.00 54.91 53.71 1h20 h ALA 31 Cb 0.72 0.56 0.03 0.00 0.00 0.00 0.00 17.79 19.09 1h20 h ALA 31 CO 0.05 1.02 -0.12 0.54 0.00 0.00 0.00 179.25 180.74 1h20 n ARG 32 N -3.73 -1.13 -3.94 0.00 1.74 0.18 -5.02 116.66 104.76 1h20 n ARG 32 Ca -0.27 0.14 -0.11 0.00 -0.77 0.00 0.00 57.85 56.83 1h20 n ARG 32 Cb 0.98 -3.04 -0.12 0.00 -1.02 0.00 0.00 32.46 29.26 1h20 n ARG 32 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1h20 s THR 33 N -3.06 0.09 -0.91 0.55 -4.23 -1.22 -0.15 115.64 106.71 1h20 s THR 33 Ca 0.03 -0.51 -0.26 0.00 -1.18 0.00 0.00 61.69 59.77 1h20 s THR 33 Cb -0.01 -0.17 -0.16 0.00 1.34 0.00 0.00 72.50 73.49 1h20 s THR 33 CO 0.12 -0.26 2.27 0.00 -0.54 0.00 0.00 174.62 176.20 1h20 n GLY 35 N 6.55 0.91 3.73 0.00 0.00 0.13 -0.02 105.19 116.49 1h20 n GLY 35 Ca 0.44 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 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 -5.02 2.27 -1.03 1.61 0.04 -1.26 -2.15 135.00 129.46 1h20 s PRO 36 Ca 0.65 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 63.13 1h20 s PRO 36 Cb -0.04 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1h20 s PRO 36 CO 0.43 -1.72 1.90 -0.47 0.04 0.00 0.00 177.00 177.18 1h20 s TYR 37 N -2.07 1.95 -0.59 0.56 5.04 -0.75 -4.22 117.35 117.27 1h20 s TYR 37 Ca 0.73 0.37 -0.15 0.00 -2.44 0.00 0.00 57.07 55.58 1h20 s TYR 37 Cb -0.27 -4.11 0.15 0.00 0.35 0.00 0.00 41.96 38.08 1h20 s TYR 37 CO 0.44 -1.57 0.53 0.54 -1.34 0.00 0.00 175.55 174.16 1h20 s VAL 38 N 9.79 5.15 0.00 3.14 0.11 -1.26 -4.96 120.40 132.37 1h20 s VAL 38 Ca 0.67 -1.74 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 1h20 s VAL 38 Cb -0.04 -4.29 0.00 0.00 -1.53 0.00 0.00 36.38 30.52 1h20 s VAL 38 CO 0.04 -0.89 0.00 0.61 -3.33 0.00 0.00 175.10 171.53