#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 0.00 -2.75 5.31 -0.06 -1.26 -4.37 117.38 114.25 1h20 n GLN 2 Ca 0.00 -0.37 -0.42 0.00 -2.00 0.00 0.00 57.00 54.21 1h20 n GLN 2 Cb 0.00 0.23 -0.04 0.00 -4.06 0.00 0.00 30.24 26.38 1h20 n GLN 2 CO 0.00 0.00 0.00 -3.38 -0.20 0.00 0.00 177.06 173.48 1h20 s HIS 3 N 0.00 2.57 0.00 3.69 -3.43 -1.26 -4.49 115.29 112.37 1h20 s HIS 3 Ca 0.00 -0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.00 1h20 s HIS 3 Cb 0.00 -4.37 0.00 0.00 -1.43 0.00 0.00 32.58 26.78 1h20 s HIS 3 CO 0.00 -1.73 0.00 0.00 -2.00 0.00 0.00 174.74 171.01 1h20 n ALA 4 N 8.22 0.00 -2.60 -1.38 0.00 -1.26 -4.92 120.51 118.56 1h20 n ALA 4 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1h20 n ALA 4 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.65 7.00 0.39 0.00 3.68 -1.26 -4.93 116.67 120.90 1h20 s ASP 5 Ca 0.00 1.32 0.28 0.00 2.13 0.00 0.00 52.55 56.29 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 0.00 -0.77 1.84 1.55 0.13 0.00 0.00 175.17 177.92 1h20 h PRO 6 N 7.87 0.00 0.00 4.34 0.13 -1.93 -3.09 132.00 139.33 1h20 h PRO 6 Ca -0.21 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.80 1h20 h PRO 6 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1h20 h PRO 6 CO 1.00 0.00 -1.19 0.97 -0.23 0.00 0.00 178.00 178.55 1h20 h ILE 7 N 0.00 0.41 -1.91 -3.56 6.09 -1.91 -3.46 117.51 113.17 1h20 h ILE 7 Ca 0.00 -1.77 -0.64 0.00 -1.37 0.00 0.00 64.86 61.08 1h20 h ILE 7 Cb 0.41 1.95 0.02 0.00 0.47 0.00 0.00 36.82 39.67 1h20 h ILE 7 CO 0.00 0.23 1.07 0.00 -3.07 0.00 0.00 178.15 176.39 1h20 n ASN 9 N 6.51 -1.82 -4.71 0.00 3.02 -0.33 -4.94 115.26 112.99 1h20 n ASN 9 Ca 0.24 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.37 1h20 n ASN 9 Cb 0.26 -0.30 -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 -0.31 4.25 0.01 3.52 2.36 0.69 -4.56 119.74 125.71 1h20 s LYS 10 Ca 0.00 2.25 -0.30 0.00 -2.55 0.00 0.00 55.97 55.37 1h20 s LYS 10 Cb 0.00 -3.24 -0.05 0.00 -1.05 0.00 0.00 37.83 33.50 1h20 s LYS 10 CO 0.00 -0.56 1.20 -2.14 1.55 0.00 0.00 175.35 175.40 1h20 s PRO 11 N 1.29 4.40 0.03 4.03 0.02 -1.26 -1.00 135.00 142.51 1h20 s PRO 11 Ca 0.68 1.73 -0.02 0.00 0.02 0.00 0.00 61.00 63.41 1h20 s PRO 11 Cb -0.41 -3.44 0.01 0.00 0.02 0.00 0.00 34.50 30.68 1h20 s PRO 11 CO 0.31 -0.33 0.11 0.00 -0.33 0.00 0.00 177.00 176.76 1h20 n LYS 13 N -0.08 0.37 -2.83 0.00 3.00 -1.26 -4.23 118.16 113.12 1h20 n LYS 13 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1h20 n LYS 13 Cb 0.07 -0.64 0.09 0.00 0.00 0.00 0.00 35.03 34.54 1h20 n LYS 13 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1h20 s THR 14 N -1.29 2.09 -0.11 3.15 -4.23 -1.26 -4.71 115.64 109.29 1h20 s THR 14 Ca 0.00 -0.82 0.16 0.00 -1.18 0.00 0.00 61.69 59.86 1h20 s THR 14 Cb 0.00 -2.28 -0.19 0.00 1.34 0.00 0.00 72.50 71.38 1h20 s THR 14 CO 0.00 0.00 0.65 0.00 -0.54 0.00 0.00 174.62 174.73 1h20 n HIS 15 N -2.55 0.78 0.25 3.99 1.44 -1.26 -3.44 115.22 114.43 1h20 n HIS 15 Ca 0.16 0.27 0.08 0.00 -2.01 0.00 0.00 57.72 56.22 1h20 n HIS 15 Cb 0.61 -1.06 0.63 0.00 0.12 0.00 0.00 29.99 30.29 1h20 n HIS 15 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 1h20 h ASP 16 N 0.00 0.00 0.66 4.39 3.32 -1.97 -1.75 116.42 121.08 1h20 h ASP 16 Ca -0.24 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 1h20 h ASP 16 Cb 1.75 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.30 1h20 h ASP 16 CO 0.05 0.08 -0.00 0.44 -1.72 0.00 0.00 179.24 178.09 1h20 h ASP 17 N 0.00 0.00 -0.35 6.45 3.32 -1.94 -1.17 116.42 122.73 1h20 h ASP 17 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1h20 h ASP 17 Cb 0.16 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1h20 h ASP 17 CO 0.01 0.00 0.02 0.00 -1.72 0.00 0.00 179.24 177.55 1h20 h SER 19 N 1.70 0.00 1.34 0.00 4.64 -1.27 -0.87 113.55 119.10 1h20 h SER 19 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1h20 h SER 19 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1h20 h SER 19 CO 0.33 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 176.90 1h20 n GLY 20 N -1.64 -1.65 3.60 -0.77 0.00 -1.26 -4.89 105.19 98.58 1h20 n GLY 20 Ca 0.17 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.07 0.62 0.00 4.61 0.00 -0.33 -4.93 121.76 118.65 1h20 s ALA 21 Ca 0.12 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1h20 s ALA 21 Cb 0.14 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1h20 s ALA 21 CO 0.58 -3.45 0.00 -2.67 0.00 0.00 0.00 175.76 170.22 1h20 n TRP 22 N -4.65 0.00 -0.01 0.00 4.27 -1.26 -4.83 117.44 110.95 1h20 n TRP 22 Ca 0.11 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.66 1h20 n TRP 22 Cb 0.59 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.52 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 -0.76 0.00 -0.87 -2.67 7.35 -1.26 -4.74 117.46 114.51 1h20 n PHE 23 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 1h20 n PHE 23 Cb 0.00 -0.22 -0.01 0.00 0.35 0.00 0.00 39.48 39.59 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 1.04 0.86 -3.83 0.00 1.13 -1.21 -3.90 117.38 111.48 1h20 n GLN 25 Ca 0.25 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.18 1h20 n GLN 25 Cb 0.59 -1.08 -0.14 0.00 0.11 0.00 0.00 30.24 29.72 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 -1.81 -0.11 -0.34 -1.58 0.00 -1.13 -4.67 121.76 112.12 1h20 s ALA 26 Ca 0.00 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.06 1h20 s ALA 26 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1h20 s ALA 26 CO 0.00 -0.05 0.31 0.00 0.00 0.00 0.00 175.76 176.02 1h20 s TRP 28 N 1.90 3.51 0.06 0.00 0.52 -0.67 -4.66 118.94 119.60 1h20 s TRP 28 Ca 0.09 1.61 -0.32 0.00 0.02 0.00 0.00 56.10 57.51 1h20 s TRP 28 Cb -0.17 -3.34 -0.16 0.00 -1.15 0.00 0.00 33.47 28.64 1h20 s TRP 28 CO 0.11 -0.79 1.48 -0.91 0.02 0.00 0.00 176.95 176.86 1h20 h ASN 29 N 4.23 -1.11 -0.51 2.95 2.35 -1.90 0.65 115.58 122.24 1h20 h ASN 29 Ca -0.46 0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.27 1h20 h ASN 29 Cb 1.21 0.33 -0.02 0.00 0.05 0.00 0.00 38.32 39.89 1h20 h ASN 29 CO 0.69 -0.64 -0.01 0.77 -1.65 0.00 0.00 177.43 176.59 1h20 h SER 30 N -1.01 0.93 0.79 5.81 4.64 -1.98 -2.88 113.55 119.85 1h20 h SER 30 Ca -0.09 -0.26 -0.24 0.00 -0.47 0.00 0.00 61.79 60.73 1h20 h SER 30 Cb 0.82 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 1h20 h SER 30 CO 0.06 1.00 -1.20 0.00 -0.87 0.00 0.00 176.83 175.81 1h20 h ALA 31 N 1.10 0.34 -2.47 5.18 0.00 -1.98 -3.47 119.26 117.96 1h20 h ALA 31 Ca 0.16 -1.00 -0.40 0.00 0.00 0.00 0.00 54.91 53.67 1h20 h ALA 31 Cb 0.53 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1h20 h ALA 31 CO 0.03 1.22 -0.46 0.54 0.00 0.00 0.00 179.25 180.58 1h20 n ARG 32 N -3.36 -1.66 -4.03 0.00 1.74 0.22 -5.00 116.66 104.57 1h20 n ARG 32 Ca -0.06 1.02 -0.09 0.00 -0.77 0.00 0.00 57.85 57.96 1h20 n ARG 32 Cb 0.98 -5.59 -0.11 0.00 -1.02 0.00 0.00 32.46 26.73 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 -2.88 0.19 -0.80 0.55 -4.23 -1.24 -1.26 115.64 105.97 1h20 s THR 33 Ca 0.00 -1.26 -0.26 0.00 -1.18 0.00 0.00 61.69 58.99 1h20 s THR 33 Cb 0.00 -0.76 -0.14 0.00 1.34 0.00 0.00 72.50 72.95 1h20 s THR 33 CO 0.00 -0.68 2.40 0.00 -0.54 0.00 0.00 174.62 175.80 1h20 s GLY 35 N 10.82 1.74 1.17 0.00 0.00 0.11 -1.19 107.32 119.97 1h20 s GLY 35 Ca 0.92 -1.90 -0.13 0.00 0.00 0.00 0.00 44.72 43.61 1h20 s GLY 35 CO 0.08 -1.31 0.93 -1.55 0.00 0.00 0.00 173.10 171.25 1h20 n PRO 36 N -2.78 -2.38 -0.01 2.90 -0.04 -1.26 -2.82 135.00 128.61 1h20 n PRO 36 Ca 0.16 -0.66 -0.13 0.00 -0.04 0.00 0.00 63.50 62.83 1h20 n PRO 36 Cb 0.61 -2.13 -0.09 0.00 -0.04 0.00 0.00 33.50 31.85 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 -2.63 0.05 0.00 0.54 5.03 -1.02 -3.38 116.97 115.56 1h20 h TYR 37 Ca -0.61 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.69 1h20 h TYR 37 Cb 1.33 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.60 1h20 h TYR 37 CO 0.26 0.39 0.00 0.28 -1.32 0.00 0.00 178.16 177.77 1h20 n VAL 38 N -4.88 0.00 1.80 1.81 0.31 -1.26 -4.69 118.33 111.42 1h20 n VAL 38 Ca -0.08 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.40 1h20 n VAL 38 Cb 0.20 0.00 0.85 0.00 -0.91 0.00 0.00 33.84 33.98 1h20 n VAL 38 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12