#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 0.70 -0.86 5.31 -0.00 -1.98 -3.20 115.11 115.08 1h20 h GLN 2 Ca 0.00 -0.50 -0.01 0.00 -0.00 0.00 0.00 58.65 58.14 1h20 h GLN 2 Cb 0.00 0.08 -0.00 0.00 -0.00 0.00 0.00 27.48 27.56 1h20 h GLN 2 CO 0.00 1.12 0.01 -2.39 -0.00 0.00 0.00 178.83 177.57 1h20 n HIS 3 N -4.12 0.73 -0.51 0.06 1.44 -1.26 -4.90 115.22 106.66 1h20 n HIS 3 Ca -0.06 -0.28 0.00 0.00 -2.01 0.00 0.00 57.72 55.37 1h20 n HIS 3 Cb 0.62 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 30.47 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 0.20 0.00 -2.61 1.59 0.00 -1.21 -5.04 120.51 113.45 1h20 n ALA 4 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1h20 n ALA 4 Cb 0.59 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 1h20 n ALA 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1h20 s ASP 5 N -3.47 6.66 0.49 0.00 2.15 -1.26 -4.94 116.67 116.30 1h20 s ASP 5 Ca 0.00 0.59 0.33 0.00 0.43 0.00 0.00 52.55 53.90 1h20 s ASP 5 Cb 0.00 -2.44 1.51 0.00 -0.30 0.00 0.00 42.92 41.70 1h20 s ASP 5 CO 0.00 -0.75 1.98 1.55 -0.17 0.00 0.00 175.17 177.78 1h20 h PRO 6 N 8.32 0.00 0.00 4.34 0.13 -1.96 -3.11 132.00 139.72 1h20 h PRO 6 Ca -0.24 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.70 1h20 h PRO 6 Cb 1.09 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 1h20 h PRO 6 CO 0.94 0.00 -1.97 1.51 -0.23 0.00 0.00 178.00 178.24 1h20 n ILE 7 N -2.81 0.91 -1.51 -3.56 0.13 -1.26 -4.92 119.36 106.35 1h20 n ILE 7 Ca -0.00 -0.70 -0.51 0.00 -1.10 0.00 0.00 62.75 60.44 1h20 n ILE 7 Cb 0.21 -0.41 -0.07 0.00 -0.84 0.00 0.00 39.64 38.53 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 9.05 -1.64 -4.69 0.00 3.02 0.04 -4.91 115.26 116.13 1h20 n ASN 9 Ca 0.37 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.50 1h20 n ASN 9 Cb 0.23 -0.27 -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 -1.03 4.24 -0.10 3.52 2.47 0.76 -4.50 119.74 125.10 1h20 s LYS 10 Ca 0.00 2.12 -0.30 0.00 -1.56 0.00 0.00 55.97 56.23 1h20 s LYS 10 Cb 0.00 -3.62 -0.02 0.00 -1.46 0.00 0.00 37.83 32.73 1h20 s LYS 10 CO 0.00 -0.66 1.12 -2.14 0.16 0.00 0.00 175.35 173.83 1h20 s PRO 11 N 2.65 4.36 0.14 4.03 0.02 -1.26 -0.42 135.00 144.51 1h20 s PRO 11 Ca 0.68 1.54 -0.18 0.00 0.02 0.00 0.00 61.00 63.07 1h20 s PRO 11 Cb -0.35 -3.58 0.06 0.00 0.02 0.00 0.00 34.50 30.66 1h20 s PRO 11 CO 0.29 -0.44 0.86 0.00 -0.33 0.00 0.00 177.00 177.38 1h20 n LYS 13 N -0.61 1.42 -4.03 0.00 4.76 -1.26 -4.10 118.16 114.33 1h20 n LYS 13 Ca -0.01 -1.33 -0.10 0.00 -2.87 0.00 0.00 58.31 54.00 1h20 n LYS 13 Cb 0.48 -0.87 -0.08 0.00 -1.84 0.00 0.00 35.03 32.72 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 -0.90 0.05 -0.43 -0.18 -4.23 -1.26 -4.88 115.64 103.81 1h20 s THR 14 Ca 0.06 -1.55 0.23 0.00 -1.18 0.00 0.00 61.69 59.25 1h20 s THR 14 Cb 0.05 -2.04 0.09 0.00 1.34 0.00 0.00 72.50 71.94 1h20 s THR 14 CO 0.01 -0.21 1.27 1.12 -0.54 0.00 0.00 174.62 176.27 1h20 h HIS 15 N 2.54 0.00 -0.42 3.99 2.07 -1.83 -3.14 115.15 118.36 1h20 h HIS 15 Ca -0.32 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.16 1h20 h HIS 15 Cb 1.23 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.19 1h20 h HIS 15 CO 0.39 0.00 0.09 -0.44 -3.07 0.00 0.00 177.93 174.91 1h20 h ASP 16 N 0.00 0.58 0.75 3.10 3.32 -1.97 -2.03 116.42 120.18 1h20 h ASP 16 Ca 0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1h20 h ASP 16 Cb 0.91 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 1h20 h ASP 16 CO 0.00 0.59 -0.13 -0.78 -1.72 0.00 0.00 179.24 177.20 1h20 h ASP 17 N 0.62 0.00 -0.55 6.45 3.58 -1.93 -1.95 116.42 122.63 1h20 h ASP 17 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1h20 h ASP 17 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1h20 h ASP 17 CO -0.00 0.13 0.00 0.00 -2.88 0.00 0.00 179.24 176.49 1h20 h SER 19 N 3.53 0.06 0.85 0.00 4.64 -1.01 -0.15 113.55 121.47 1h20 h SER 19 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1h20 h SER 19 Cb 1.45 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1h20 h SER 19 CO 0.24 -0.01 -0.18 0.61 -0.87 0.00 0.00 176.83 176.62 1h20 n GLY 20 N -1.76 -1.42 3.74 -0.77 0.00 -1.26 -4.94 105.19 98.78 1h20 n GLY 20 Ca 0.31 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.01 2.26 -0.09 4.61 0.00 -0.07 -5.01 121.76 120.46 1h20 s ALA 21 Ca 0.13 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.89 1h20 s ALA 21 Cb 0.18 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 1h20 s ALA 21 CO 0.59 -1.63 0.01 -2.67 0.00 0.00 0.00 175.76 172.06 1h20 n TRP 22 N -2.60 0.00 -0.01 0.00 4.27 -1.26 -4.70 117.44 113.14 1h20 n TRP 22 Ca 0.12 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.69 1h20 n TRP 22 Cb 0.51 -0.41 -0.01 0.00 -1.36 0.00 0.00 31.31 30.04 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 -2.38 0.00 -1.53 -2.67 -0.00 -1.26 -4.80 117.46 104.82 1h20 n PHE 23 Ca -0.14 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 56.99 1h20 n PHE 23 Cb 0.76 -0.20 -0.05 0.00 -0.00 0.00 0.00 39.48 39.99 1h20 n PHE 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1h20 n GLN 25 N 2.17 0.82 -3.94 0.00 1.13 -1.14 -4.03 117.38 112.39 1h20 n GLN 25 Ca 0.61 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.51 1h20 n GLN 25 Cb 0.42 -1.23 -0.15 0.00 0.11 0.00 0.00 30.24 29.39 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 0.24 -0.42 -1.58 0.00 -0.86 -4.62 121.76 112.52 1h20 s ALA 26 Ca 0.18 0.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 1h20 s ALA 26 Cb 0.08 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1h20 s ALA 26 CO 0.14 -0.02 0.51 0.00 0.00 0.00 0.00 175.76 176.38 1h20 s TRP 28 N 2.39 3.02 0.01 0.00 0.52 -0.22 -4.14 118.94 120.52 1h20 s TRP 28 Ca 0.16 1.54 -0.06 0.00 0.02 0.00 0.00 56.10 57.76 1h20 s TRP 28 Cb -0.16 -3.40 -0.03 0.00 -1.15 0.00 0.00 33.47 28.73 1h20 s TRP 28 CO 0.15 -1.39 1.09 -0.91 0.02 0.00 0.00 176.95 175.91 1h20 h ASN 29 N 2.53 -0.23 -0.64 2.95 2.35 -1.92 -0.84 115.58 119.79 1h20 h ASN 29 Ca -0.49 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.18 1h20 h ASN 29 Cb 1.24 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.65 1h20 h ASN 29 CO 0.62 -0.12 0.04 0.77 -1.65 0.00 0.00 177.43 177.09 1h20 h SER 30 N -0.19 1.07 1.28 5.81 4.64 -1.98 -2.65 113.55 121.53 1h20 h SER 30 Ca -0.01 -0.29 -0.13 0.00 -0.47 0.00 0.00 61.79 60.88 1h20 h SER 30 Cb 0.16 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1h20 h SER 30 CO 0.00 1.09 -0.74 0.00 -0.87 0.00 0.00 176.83 176.32 1h20 h ALA 31 N 1.02 0.62 -3.57 5.18 0.00 -1.99 -3.47 119.26 117.05 1h20 h ALA 31 Ca 0.19 -0.60 -0.28 0.00 0.00 0.00 0.00 54.91 54.22 1h20 h ALA 31 Cb 0.52 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1h20 h ALA 31 CO 0.03 0.78 -0.35 2.89 0.00 0.00 0.00 179.25 182.59 1h20 n ARG 32 N -3.19 -2.09 -4.09 0.00 1.85 -0.32 -4.99 116.66 103.84 1h20 n ARG 32 Ca -0.00 0.68 -0.10 0.00 -1.00 0.00 0.00 57.85 57.43 1h20 n ARG 32 Cb 0.79 -5.28 -0.11 0.00 -1.05 0.00 0.00 32.46 26.82 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 -2.67 0.43 -0.68 8.89 -4.23 -1.23 -0.67 115.64 115.48 1h20 s THR 33 Ca 0.00 -1.51 -0.26 0.00 -1.18 0.00 0.00 61.69 58.75 1h20 s THR 33 Cb 0.00 -1.12 -0.12 0.00 1.34 0.00 0.00 72.50 72.60 1h20 s THR 33 CO 0.00 -0.72 2.42 0.00 -0.54 0.00 0.00 174.62 175.78 1h20 s GLY 35 N 11.27 1.84 1.21 0.00 0.00 0.11 -0.78 107.32 120.97 1h20 s GLY 35 Ca 0.96 -1.62 -0.14 0.00 0.00 0.00 0.00 44.72 43.92 1h20 s GLY 35 CO 0.16 -1.30 0.88 -1.55 0.00 0.00 0.00 173.10 171.30 1h20 n PRO 36 N -2.25 -2.68 0.01 2.90 -0.04 -1.26 -2.04 135.00 129.64 1h20 n PRO 36 Ca 0.10 -0.76 -0.05 0.00 -0.04 0.00 0.00 63.50 62.76 1h20 n PRO 36 Cb 0.60 -2.09 0.16 0.00 -0.04 0.00 0.00 33.50 32.14 1h20 n PRO 36 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1h20 h TYR 37 N -2.75 0.57 0.00 0.54 3.20 -1.78 -3.36 116.97 113.39 1h20 h TYR 37 Ca -0.62 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.11 1h20 h TYR 37 Cb 1.34 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.48 1h20 h TYR 37 CO 0.06 0.76 0.00 1.55 -1.64 0.00 0.00 178.16 178.89 1h20 n VAL 38 N -4.08 0.00 1.53 1.81 3.14 -1.26 -4.74 118.33 114.73 1h20 n VAL 38 Ca -0.01 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.49 1h20 n VAL 38 Cb 0.45 0.00 0.73 0.00 -1.06 0.00 0.00 33.84 33.96 1h20 n VAL 38 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98