#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hly s VAL 2 N 0.00 -0.03 0.00 2.28 1.01 -1.26 -1.31 120.40 121.08 1hly s VAL 2 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1hly s VAL 2 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.22 1hly s VAL 2 CO 0.00 0.05 0.00 -0.38 0.00 0.00 0.00 175.10 174.77 1hly n ILE 3 N 3.75 0.00 -2.54 2.22 5.41 -1.25 -4.96 119.36 121.98 1hly n ILE 3 Ca -0.21 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.42 1hly n ILE 3 Cb 0.54 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.50 1hly n ILE 3 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1hly n ASP 4 N 0.00 2.83 -4.63 4.38 -0.08 -1.26 -4.90 116.55 112.89 1hly n ASP 4 Ca 0.00 -2.85 -0.41 0.00 -1.51 0.00 0.00 54.79 50.02 1hly n ASP 4 Cb 0.00 -0.45 -0.06 0.00 2.34 0.00 0.00 41.12 42.95 1hly n ASP 4 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1hly s VAL 5 N -4.10 4.95 -0.01 5.18 1.01 -1.26 -5.04 120.40 121.13 1hly s VAL 5 Ca 0.36 1.24 -0.12 0.00 0.00 0.00 0.00 61.98 63.46 1hly s VAL 5 Cb 0.39 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1hly s VAL 5 CO -0.02 0.00 0.35 -0.54 0.00 0.00 0.00 175.10 174.89 1hly s LYS 6 N 2.58 3.79 0.11 2.72 3.01 -1.26 -0.92 119.74 129.78 1hly s LYS 6 Ca 0.28 0.26 0.10 0.00 -1.01 0.00 0.00 55.97 55.59 1hly s LYS 6 Cb -0.15 -3.17 -0.04 0.00 -1.01 0.00 0.00 37.83 33.46 1hly s LYS 6 CO 0.08 0.68 -0.24 0.00 0.51 0.00 0.00 175.35 176.38 1hly n THR 8 N 1.02 0.00 -3.54 0.00 -2.24 -1.26 -4.72 114.28 103.54 1hly n THR 8 Ca -0.19 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.09 1hly n THR 8 Cb 0.53 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.79 1hly n THR 8 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hly s SER 9 N -1.19 -0.36 0.46 3.42 0.15 -1.26 -5.00 113.70 109.93 1hly s SER 9 Ca 0.05 0.18 0.21 0.00 0.70 0.00 0.00 55.95 57.09 1hly s SER 9 Cb 0.05 0.34 1.14 0.00 -1.71 0.00 0.00 66.02 65.84 1hly s SER 9 CO 0.19 -0.48 1.97 1.55 1.20 0.00 0.00 173.24 177.67 1hly h PRO 10 N 2.25 0.00 -0.43 5.44 0.13 -1.87 -3.34 132.00 134.17 1hly h PRO 10 Ca -0.20 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.87 1hly h PRO 10 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1hly h PRO 10 CO 0.30 0.20 0.01 -0.22 -0.23 0.00 0.00 178.00 178.07 1hly h LYS 11 N 0.00 0.70 0.00 0.86 3.64 -1.95 -1.27 116.57 118.55 1hly h LYS 11 Ca -0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1hly h LYS 11 Cb 0.45 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1hly h LYS 11 CO 0.03 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 177.91 1hly n GLN 12 N -4.24 0.16 0.00 1.90 -0.00 -1.25 -1.53 117.38 112.41 1hly n GLN 12 Ca 0.02 0.40 0.12 0.00 -0.00 0.00 0.00 57.00 57.55 1hly n GLN 12 Cb 0.27 -1.81 0.15 0.00 -0.00 0.00 0.00 30.24 28.86 1hly n GLN 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1hly h LEU 14 N 2.10 -0.11 -1.07 0.00 7.12 -1.15 -1.53 115.31 120.67 1hly h LEU 14 Ca 0.00 -0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 1hly h LEU 14 Cb 0.67 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.80 1hly h LEU 14 CO 0.00 -0.07 0.29 1.55 -0.13 0.00 0.00 178.44 180.08 1hly h PRO 15 N -0.14 0.95 -0.39 5.25 0.13 -1.78 -0.18 132.00 135.83 1hly h PRO 15 Ca -0.01 -0.14 -0.13 0.00 -0.87 0.00 0.00 66.00 64.85 1hly h PRO 15 Cb 0.11 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.05 1hly h PRO 15 CO 0.02 0.75 -0.26 -1.00 -0.23 0.00 0.00 178.00 177.28 1hly h PRO 16 N 0.94 0.82 -0.35 1.56 0.13 -1.83 -2.49 132.00 130.79 1hly h PRO 16 Ca 0.23 -0.36 0.02 0.00 -0.87 0.00 0.00 66.00 65.02 1hly h PRO 16 Cb 0.14 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.21 1hly h PRO 16 CO -0.03 0.99 0.18 0.00 -0.23 0.00 0.00 178.00 178.91 1hly n LYS 18 N -4.94 0.32 0.09 0.00 4.76 -0.10 -1.47 118.16 116.82 1hly n LYS 18 Ca 0.00 0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.42 1hly n LYS 18 Cb 0.08 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.69 1hly n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hly h ALA 19 N 2.90 -0.28 0.00 7.82 0.00 -0.75 -3.45 119.26 125.51 1hly h ALA 19 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1hly h ALA 19 Cb 0.13 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1hly h ALA 19 CO 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 179.25 178.87 1hly n GLN 20 N -4.99 0.36 0.13 0.00 -0.00 -1.24 -4.92 117.38 106.72 1hly n GLN 20 Ca -0.08 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 56.93 1hly n GLN 20 Cb 0.26 -0.03 0.03 0.00 -0.00 0.00 0.00 30.24 30.50 1hly n GLN 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1hly h PHE 21 N 0.00 0.00 -1.36 2.61 0.04 -1.57 -3.47 116.94 113.19 1hly h PHE 21 Ca 0.00 0.00 0.27 0.00 2.80 0.00 0.00 57.97 61.04 1hly h PHE 21 Cb 0.00 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 37.96 1hly h PHE 21 CO 0.00 0.55 0.86 0.20 -0.60 0.00 0.00 178.31 179.31 1hly s GLY 22 N -4.48 -0.27 0.27 -1.45 0.00 -0.54 -4.51 107.32 96.34 1hly s GLY 22 Ca 0.03 1.69 0.03 0.00 0.00 0.00 0.00 44.72 46.48 1hly s GLY 22 CO 0.75 0.56 1.67 1.19 0.00 0.00 0.00 173.10 177.27 1hly h ILE 23 N 2.00 1.30 -0.17 0.90 2.10 -1.89 -2.94 117.51 118.81 1hly h ILE 23 Ca -0.07 -1.51 0.00 0.00 1.08 0.00 0.00 64.86 64.36 1hly h ILE 23 Cb 1.15 1.60 0.00 0.00 -1.09 0.00 0.00 36.82 38.49 1hly h ILE 23 CO 0.22 0.46 0.00 -1.14 -1.08 0.00 0.00 178.15 176.61 1hly n ARG 24 N -4.04 2.66 -0.68 2.19 0.63 -1.26 -5.04 116.66 111.12 1hly n ARG 24 Ca -0.01 -2.14 -0.30 0.00 -0.92 0.00 0.00 57.85 54.48 1hly n ARG 24 Cb 0.48 -1.34 0.19 0.00 0.45 0.00 0.00 32.46 32.23 1hly n ARG 24 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hly s ALA 25 N -1.68 0.96 0.05 5.13 0.00 -1.11 -4.84 121.76 120.27 1hly s ALA 25 Ca 0.22 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1hly s ALA 25 Cb 0.16 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1hly s ALA 25 CO 0.08 -3.02 0.06 0.41 0.00 0.00 0.00 175.76 173.28 1hly n GLY 26 N 0.30 3.19 3.30 0.00 0.00 0.01 -4.69 105.19 107.32 1hly n GLY 26 Ca 0.09 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 1hly n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hly s ALA 27 N -1.82 -0.91 0.04 4.61 0.00 -1.26 -0.15 121.76 122.27 1hly s ALA 27 Ca 0.04 0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.27 1hly s ALA 27 Cb -0.00 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1hly s ALA 27 CO 0.03 -0.44 -0.08 0.15 0.00 0.00 0.00 175.76 175.42 1hly s LYS 28 N -2.46 2.39 -0.25 0.00 -0.14 0.14 -4.79 119.74 114.63 1hly s LYS 28 Ca -0.05 -0.84 -0.16 0.00 -1.36 0.00 0.00 55.97 53.55 1hly s LYS 28 Cb -0.01 -2.42 -0.03 0.00 -1.68 0.00 0.00 37.83 33.69 1hly s LYS 28 CO -0.02 0.57 0.44 0.00 -0.76 0.00 0.00 175.35 175.57 1hly s MET 30 N 1.98 0.31 -1.56 0.00 0.00 -0.58 -4.86 119.30 114.59 1hly s MET 30 Ca 0.18 0.76 -0.01 0.00 0.00 0.00 0.00 55.69 56.62 1hly s MET 30 Cb -0.15 0.00 0.00 0.00 0.00 0.00 0.00 34.83 34.68 1hly s MET 30 CO 0.09 -0.19 0.13 -1.71 0.00 0.00 0.00 175.02 173.34 1hly n ASN 31 N 4.55 -5.48 0.00 1.11 5.15 -1.26 -1.63 115.26 117.69 1hly n ASN 31 Ca -0.20 -0.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 1hly n ASN 31 Cb 0.53 -4.49 0.00 0.00 -0.53 0.00 0.00 39.78 35.30 1hly n ASN 31 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hly n GLY 32 N -1.12 0.37 3.01 8.20 0.00 -1.26 -5.02 105.19 109.38 1hly n GLY 32 Ca -0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 1hly n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hly s LYS 33 N -0.58 0.51 0.39 1.61 2.20 -0.65 -0.97 119.74 122.25 1hly s LYS 33 Ca 0.00 -0.43 -0.26 0.00 -0.36 0.00 0.00 55.97 54.93 1hly s LYS 33 Cb 0.00 -0.42 -0.09 0.00 -1.51 0.00 0.00 37.83 35.81 1hly s LYS 33 CO 0.00 0.10 1.18 0.00 -0.36 0.00 0.00 175.35 176.27 1hly s LYS 35 N -2.19 1.56 0.20 0.00 3.01 0.14 -3.95 119.74 118.51 1hly s LYS 35 Ca 0.55 -2.54 -0.30 0.00 -1.01 0.00 0.00 55.97 52.68 1hly s LYS 35 Cb -0.32 -2.35 -0.09 0.00 -1.01 0.00 0.00 37.83 34.07 1hly s LYS 35 CO 0.40 -1.30 1.24 0.00 0.51 0.00 0.00 175.35 176.20 1hly s TYR 37 N -0.13 3.52 -1.45 0.00 1.51 0.79 0.24 117.35 121.83 1hly s TYR 37 Ca 0.53 -2.73 -0.10 0.00 -1.01 0.00 0.00 57.07 53.76 1hly s TYR 37 Cb -0.34 -2.54 -0.07 0.00 -0.11 0.00 0.00 41.96 38.89 1hly s TYR 37 CO 0.38 -0.92 2.68 -0.35 -1.11 0.00 0.00 175.55 176.24 1hly n PRO 38 N 4.33 3.23 0.00 -1.71 -0.04 -1.26 -0.80 135.00 138.75 1hly n PRO 38 Ca -0.02 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1hly n PRO 38 Cb 0.42 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 1hly n PRO 38 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04