#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 0.19 -2.04 5.31 -0.06 -1.26 -5.15 117.38 114.37 1h20 n GLN 2 Ca 0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 57.00 54.72 1h20 n GLN 2 Cb 0.00 -0.04 0.15 0.00 -4.06 0.00 0.00 30.24 26.28 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 -0.64 1.94 0.00 3.69 -3.43 -1.26 -5.06 115.29 110.53 1h20 s HIS 3 Ca 0.00 0.32 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 1h20 s HIS 3 Cb 0.00 -3.78 0.00 0.00 -1.43 0.00 0.00 32.58 27.37 1h20 s HIS 3 CO 0.00 -2.27 0.74 0.00 -2.00 0.00 0.00 174.74 171.21 1h20 n ALA 4 N -3.49 2.73 -1.77 -1.38 0.00 -1.26 -5.12 120.51 110.22 1h20 n ALA 4 Ca 0.13 -0.40 -0.39 0.00 0.00 0.00 0.00 53.44 52.79 1h20 n ALA 4 Cb 0.60 -0.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.58 7.36 -0.19 0.00 3.84 -1.26 -4.88 116.67 120.95 1h20 s ASP 5 Ca 0.00 1.98 -0.05 0.00 -0.00 0.00 0.00 52.55 54.47 1h20 s ASP 5 Cb 0.00 -2.60 -0.15 0.00 -1.38 0.00 0.00 42.92 38.79 1h20 s ASP 5 CO 0.00 -0.06 3.32 -0.81 -0.00 0.00 0.00 175.17 177.63 1h20 n PRO 6 N 0.91 2.18 0.00 2.11 -0.04 -1.26 -3.71 135.00 135.20 1h20 n PRO 6 Ca 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 1h20 n PRO 6 Cb 0.48 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 1.97 0.00 -1.60 0.52 0.13 -1.26 -4.92 119.36 114.19 1h20 n ILE 7 Ca 0.46 0.00 -0.45 0.00 -1.10 0.00 0.00 62.75 61.65 1h20 n ILE 7 Cb 0.78 -0.41 -0.04 0.00 -0.84 0.00 0.00 39.64 39.13 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 9.44 -1.40 -4.71 0.00 2.85 -0.31 -4.96 115.26 116.17 1h20 n ASN 9 Ca 0.28 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.33 1h20 n ASN 9 Cb 0.37 -0.23 -0.03 0.00 1.24 0.00 0.00 39.78 41.13 1h20 n ASN 9 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1h20 s LYS 10 N -0.73 4.29 -0.17 1.20 2.36 0.11 -4.64 119.74 122.16 1h20 s LYS 10 Ca 0.00 2.11 -0.29 0.00 -2.55 0.00 0.00 55.97 55.23 1h20 s LYS 10 Cb 0.00 -3.36 -0.01 0.00 -1.05 0.00 0.00 37.83 33.41 1h20 s LYS 10 CO 0.00 -0.52 1.28 -2.14 1.55 0.00 0.00 175.35 175.52 1h20 s PRO 11 N 1.59 4.22 0.37 4.03 0.02 -1.26 -0.48 135.00 143.50 1h20 s PRO 11 Ca 0.66 1.67 -0.05 0.00 0.02 0.00 0.00 61.00 63.30 1h20 s PRO 11 Cb -0.37 -3.78 0.02 0.00 0.02 0.00 0.00 34.50 30.40 1h20 s PRO 11 CO 0.30 -0.72 0.57 0.00 -0.33 0.00 0.00 177.00 176.82 1h20 n LYS 13 N -0.58 4.25 -4.21 0.00 4.76 -1.26 -4.00 118.16 117.12 1h20 n LYS 13 Ca -0.01 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.25 1h20 n LYS 13 Cb 0.61 -0.57 -0.07 0.00 -1.84 0.00 0.00 35.03 33.16 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 -1.09 0.00 -0.18 -0.18 -4.23 -1.26 -4.88 115.64 103.82 1h20 s THR 14 Ca 0.00 -1.85 0.18 0.00 -1.18 0.00 0.00 61.69 58.84 1h20 s THR 14 Cb 0.00 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1h20 s THR 14 CO 0.00 0.00 1.10 1.12 -0.54 0.00 0.00 174.62 176.30 1h20 h HIS 15 N 2.12 0.00 -0.51 3.99 2.07 -1.83 -2.75 115.15 118.25 1h20 h HIS 15 Ca -0.26 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.23 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 1.66 0.38 0.19 -0.44 -3.07 0.00 0.00 177.93 176.65 1h20 h ASP 16 N 0.00 0.72 0.00 3.10 5.19 -1.98 -2.82 116.42 120.63 1h20 h ASP 16 Ca -0.07 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1h20 h ASP 16 Cb 1.35 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1h20 h ASP 16 CO 0.04 0.71 0.00 -0.67 -3.12 0.00 0.00 179.24 176.19 1h20 n ASP 17 N -4.53 0.51 0.00 6.45 2.03 -1.03 -0.94 116.55 119.05 1h20 n ASP 17 Ca 0.02 -1.27 0.00 0.00 0.52 0.00 0.00 54.79 54.06 1h20 n ASP 17 Cb 0.17 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 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 -0.18 0.00 0.00 0.00 3.41 -0.11 -0.87 113.62 115.87 1h20 n SER 19 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1h20 n SER 19 Cb 0.08 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 64.57 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 -0.25 -1.35 3.71 5.00 0.00 -1.26 -4.80 105.19 106.25 1h20 n GLY 20 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.98 1.50 0.00 4.61 0.00 -0.05 -4.96 121.76 119.88 1h20 s ALA 21 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1h20 s ALA 21 Cb 0.16 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1h20 s ALA 21 CO 0.45 -2.40 0.00 -2.67 0.00 0.00 0.00 175.76 171.14 1h20 n TRP 22 N -3.92 0.00 -0.01 0.00 4.27 -1.26 -4.79 117.44 111.72 1h20 n TRP 22 Ca 0.07 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.66 1h20 n TRP 22 Cb 0.55 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.49 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 -0.48 0.00 -1.04 -2.67 7.35 -1.26 -4.64 117.46 114.72 1h20 n PHE 23 Ca 0.00 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.54 1h20 n PHE 23 Cb 0.01 -0.11 -0.06 0.00 0.35 0.00 0.00 39.48 39.67 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 0.76 -4.81 0.00 0.00 -1.20 -3.16 117.38 110.35 1h20 n GLN 25 Ca 0.34 0.01 -0.29 0.00 -0.00 0.00 0.00 57.00 57.06 1h20 n GLN 25 Cb 0.66 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 29.26 1h20 n GLN 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1h20 s ALA 26 N -2.13 2.13 -0.23 1.69 0.00 -1.02 -4.51 121.76 117.68 1h20 s ALA 26 Ca 0.38 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1h20 s ALA 26 Cb 0.19 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1h20 s ALA 26 CO 0.34 0.50 -0.05 0.00 0.00 0.00 0.00 175.76 176.55 1h20 s TRP 28 N 1.42 2.75 0.00 0.00 0.52 -0.98 -4.40 118.94 118.25 1h20 s TRP 28 Ca 0.04 1.55 0.00 0.00 0.02 0.00 0.00 56.10 57.71 1h20 s TRP 28 Cb -0.15 -3.22 0.00 0.00 -1.15 0.00 0.00 33.47 28.95 1h20 s TRP 28 CO -0.04 -1.40 0.38 0.27 0.02 0.00 0.00 176.95 176.18 1h20 n ASN 29 N -1.32 0.00 0.11 2.95 6.94 -1.26 -1.80 115.26 120.88 1h20 n ASN 29 Ca 0.11 0.38 -0.02 0.00 -0.02 0.00 0.00 54.58 55.03 1h20 n ASN 29 Cb 0.51 0.00 0.22 0.00 -2.36 0.00 0.00 39.78 38.15 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 0.19 1.25 0.53 4.64 -2.00 -3.07 113.55 115.09 1h20 h SER 30 Ca 0.00 -0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.08 1h20 h SER 30 Cb 0.00 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1h20 h SER 30 CO 0.00 0.63 -0.76 0.00 -0.87 0.00 0.00 176.83 175.83 1h20 h ALA 31 N 1.38 0.56 -6.57 5.18 0.00 -1.99 -3.47 119.26 114.35 1h20 h ALA 31 Ca 0.01 -0.67 -0.51 0.00 0.00 0.00 0.00 54.91 53.74 1h20 h ALA 31 Cb 0.88 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 18.36 1h20 h ALA 31 CO 0.07 0.89 -0.75 2.89 0.00 0.00 0.00 179.25 182.35 1h20 n ARG 32 N -3.25 -2.41 -3.94 0.00 -4.01 -0.75 -4.96 116.66 97.35 1h20 n ARG 32 Ca 0.00 0.29 -0.10 0.00 -1.04 0.00 0.00 57.85 57.00 1h20 n ARG 32 Cb 0.82 -4.95 -0.10 0.00 -3.04 0.00 0.00 32.46 25.19 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 -3.12 0.12 -0.07 8.89 -4.23 -1.26 -1.71 115.64 114.27 1h20 s THR 33 Ca 0.67 -0.97 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 1h20 s THR 33 Cb -0.38 -0.60 -0.08 0.00 1.34 0.00 0.00 72.50 72.79 1h20 s THR 33 CO 0.82 -0.54 2.07 0.00 -0.54 0.00 0.00 174.62 176.44 1h20 s GLY 35 N 5.90 2.40 1.05 0.00 0.00 0.58 -1.16 107.32 116.08 1h20 s GLY 35 Ca 0.94 -1.63 -0.14 0.00 0.00 0.00 0.00 44.72 43.89 1h20 s GLY 35 CO 0.40 -1.90 0.59 -1.55 0.00 0.00 0.00 173.10 170.64 1h20 n PRO 36 N -0.86 -1.22 -2.07 2.90 -0.04 -1.26 -2.44 135.00 130.02 1h20 n PRO 36 Ca -0.06 -0.32 -0.31 0.00 -0.04 0.00 0.00 63.50 62.78 1h20 n PRO 36 Cb 0.66 -1.99 -0.04 0.00 -0.04 0.00 0.00 33.50 32.09 1h20 n PRO 36 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1h20 s TYR 37 N -2.40 1.80 -0.36 0.54 5.04 -1.03 -4.34 117.35 116.60 1h20 s TYR 37 Ca 0.61 0.62 -0.14 0.00 -2.44 0.00 0.00 57.07 55.72 1h20 s TYR 37 Cb -0.20 -4.08 -0.01 0.00 0.35 0.00 0.00 41.96 38.02 1h20 s TYR 37 CO 0.65 -1.91 0.31 0.54 -1.34 0.00 0.00 175.55 173.80 1h20 s VAL 38 N 9.60 5.22 0.00 3.14 0.11 -1.26 -5.02 120.40 132.19 1h20 s VAL 38 Ca 0.68 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1h20 s VAL 38 Cb -0.08 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 1h20 s VAL 38 CO 0.05 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.32