#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 -0.02 0.20 2.28 1.01 -1.26 -1.57 120.40 121.04 1hly s VAL 2 Ca 0.00 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.16 1hly s VAL 2 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 1hly s VAL 2 CO 0.00 0.03 -0.20 0.27 0.00 0.00 0.00 175.10 175.20 1hly s ILE 3 N 0.47 2.12 -0.44 2.22 -4.36 -1.26 -4.97 121.20 114.97 1hly s ILE 3 Ca -0.04 -2.09 -0.03 0.00 -0.26 0.00 0.00 60.65 58.24 1hly s ILE 3 Cb -0.05 -2.05 0.16 0.00 1.25 0.00 0.00 42.46 41.77 1hly s ILE 3 CO -0.02 -0.30 2.40 -0.67 0.24 0.00 0.00 174.94 176.60 1hly n ASP 4 N 0.03 6.62 -4.62 4.36 2.03 -1.26 -3.78 116.55 119.94 1hly n ASP 4 Ca -0.11 -3.23 -0.42 0.00 0.52 0.00 0.00 54.79 51.55 1hly n ASP 4 Cb 0.58 -1.14 -0.04 0.00 -0.72 0.00 0.00 41.12 39.80 1hly n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1hly s VAL 5 N -2.60 4.71 -0.12 5.18 1.01 -1.26 -4.96 120.40 122.37 1hly s VAL 5 Ca 0.49 1.29 -0.06 0.00 0.00 0.00 0.00 61.98 63.70 1hly s VAL 5 Cb 0.34 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1hly s VAL 5 CO -0.13 -0.33 0.11 -0.54 0.00 0.00 0.00 175.10 174.21 1hly s LYS 6 N 3.15 3.41 0.17 2.72 1.02 -1.26 -0.78 119.74 128.16 1hly s LYS 6 Ca 0.36 -0.19 -0.17 0.00 0.02 0.00 0.00 55.97 55.99 1hly s LYS 6 Cb -0.13 -3.13 0.03 0.00 -0.52 0.00 0.00 37.83 34.07 1hly s LYS 6 CO 0.14 0.73 0.47 0.00 -0.92 0.00 0.00 175.35 175.77 1hly n THR 8 N -0.29 0.00 -3.98 0.00 5.66 -1.26 -4.43 114.28 109.98 1hly n THR 8 Ca -0.12 -0.26 -0.09 0.00 -3.05 0.00 0.00 64.05 60.53 1hly n THR 8 Cb 0.63 0.47 -0.11 0.00 -1.55 0.00 0.00 70.33 69.77 1hly n THR 8 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1hly s SER 9 N -2.97 0.23 0.64 1.09 0.15 -1.26 -5.02 113.70 106.57 1hly s SER 9 Ca -0.02 -0.49 0.42 0.00 0.70 0.00 0.00 55.95 56.56 1hly s SER 9 Cb 0.08 0.11 2.18 0.00 -1.71 0.00 0.00 66.02 66.67 1hly s SER 9 CO 0.48 -0.31 2.29 1.55 1.20 0.00 0.00 173.24 178.45 1hly h PRO 10 N 4.62 0.00 -0.72 5.44 0.13 -1.88 -3.15 132.00 136.46 1hly h PRO 10 Ca -0.32 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.95 1hly h PRO 10 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 1hly h PRO 10 CO 0.41 0.00 0.24 -0.22 -0.23 0.00 0.00 178.00 178.20 1hly h LYS 11 N 0.00 0.36 0.00 0.86 1.63 -1.95 -1.06 116.57 116.41 1hly h LYS 11 Ca -0.00 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1hly h LYS 11 Cb 0.11 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1hly h LYS 11 CO 0.00 0.24 -0.06 1.96 -3.45 0.00 0.00 179.45 178.14 1hly h GLN 12 N 0.37 0.00 -0.01 1.90 1.08 -1.95 -1.60 115.11 114.90 1hly h GLN 12 Ca 0.39 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.59 1hly h GLN 12 Cb 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1hly h GLN 12 CO -0.42 0.06 -0.68 0.00 -0.95 0.00 0.00 178.83 176.84 1hly h LEU 14 N 1.04 -0.01 -0.51 0.00 7.12 -0.85 -0.95 115.31 121.14 1hly h LEU 14 Ca 0.00 -0.22 0.06 0.00 0.13 0.00 0.00 57.88 57.85 1hly h LEU 14 Cb 0.60 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.68 1hly h LEU 14 CO 0.00 0.21 0.23 -0.65 -0.13 0.00 0.00 178.44 178.10 1hly h PRO 15 N -0.23 0.43 -0.35 5.25 0.11 -1.82 -1.22 132.00 134.17 1hly h PRO 15 Ca -0.00 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 1hly h PRO 15 Cb 0.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1hly h PRO 15 CO 0.00 0.29 -0.29 -1.00 -0.21 0.00 0.00 178.00 176.79 1hly h PRO 16 N 0.45 0.73 -0.71 1.05 0.13 -1.84 -3.19 132.00 128.61 1hly h PRO 16 Ca 0.24 -0.32 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 1hly h PRO 16 Cb 0.19 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.27 1hly h PRO 16 CO -0.20 0.93 0.29 0.00 -0.23 0.00 0.00 178.00 178.80 1hly n LYS 18 N -4.30 0.14 0.15 0.00 4.76 -0.48 -1.07 118.16 117.35 1hly n LYS 18 Ca 0.06 0.17 -0.07 0.00 -2.87 0.00 0.00 58.31 55.61 1hly n LYS 18 Cb 0.17 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 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 2.69 -0.55 0.00 7.82 0.00 -1.23 -3.33 119.26 124.66 1hly h ALA 19 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1hly h ALA 19 Cb 0.21 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1hly h ALA 19 CO 0.00 -0.52 -0.41 0.00 0.00 0.00 0.00 179.25 178.33 1hly n GLN 20 N -4.32 2.39 0.07 0.00 -0.00 -1.25 -4.53 117.38 109.74 1hly n GLN 20 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.00 56.86 1hly n GLN 20 Cb 0.17 -0.70 0.01 0.00 -0.00 0.00 0.00 30.24 29.72 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 0.40 0.00 2.61 0.04 -1.80 -3.48 116.94 114.71 1hly h PHE 21 Ca 0.00 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.57 1hly h PHE 21 Cb 0.25 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1hly h PHE 21 CO 0.00 0.98 0.00 0.41 -0.60 0.00 0.00 178.31 179.10 1hly n GLY 22 N 0.72 -0.41 0.20 -1.45 0.00 -0.23 -4.27 105.19 99.75 1hly n GLY 22 Ca -0.04 -1.98 -0.05 0.00 0.00 0.00 0.00 46.02 43.95 1hly n GLY 22 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hly h ILE 23 N 0.00 1.33 -0.01 -0.61 2.10 -1.89 -1.78 117.51 116.65 1hly h ILE 23 Ca 0.00 -1.68 -0.23 0.00 1.08 0.00 0.00 64.86 64.04 1hly h ILE 23 Cb 0.00 1.75 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 1hly h ILE 23 CO 0.00 0.51 -0.93 -0.09 -1.08 0.00 0.00 178.15 176.56 1hly h ARG 24 N 0.27 0.46 -7.27 2.19 9.65 -1.92 -3.49 114.38 114.27 1hly h ARG 24 Ca 0.02 -0.48 -0.49 0.00 -1.10 0.00 0.00 59.98 57.93 1hly h ARG 24 Cb 0.93 0.13 0.17 0.00 -1.39 0.00 0.00 29.97 29.82 1hly h ARG 24 CO 0.08 1.13 0.20 0.00 2.80 0.00 0.00 179.97 184.18 1hly s ALA 25 N -3.33 1.20 0.23 2.80 0.00 -0.67 -4.40 121.76 117.60 1hly s ALA 25 Ca -0.06 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 1hly s ALA 25 Cb 0.09 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 1hly s ALA 25 CO 0.87 -2.71 0.43 0.20 0.00 0.00 0.00 175.76 174.56 1hly s GLY 26 N -3.00 0.53 0.07 0.00 0.00 -0.81 -4.79 107.32 99.32 1hly s GLY 26 Ca 0.65 -0.87 0.05 0.00 0.00 0.00 0.00 44.72 44.55 1hly s GLY 26 CO 0.59 -0.67 -0.14 0.00 0.00 0.00 0.00 173.10 172.87 1hly s ALA 27 N -4.01 1.16 0.17 3.20 0.00 -1.26 -0.22 121.76 120.80 1hly s ALA 27 Ca 0.22 -0.99 0.11 0.00 0.00 0.00 0.00 51.96 51.29 1hly s ALA 27 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1hly s ALA 27 CO 0.07 0.16 -0.21 0.15 0.00 0.00 0.00 175.76 175.93 1hly s LYS 28 N -1.74 1.64 -0.19 0.00 3.01 0.13 -4.83 119.74 117.76 1hly s LYS 28 Ca -0.02 -1.40 -0.05 0.00 -1.01 0.00 0.00 55.97 53.49 1hly s LYS 28 Cb -0.10 -1.95 -0.02 0.00 -1.01 0.00 0.00 37.83 34.74 1hly s LYS 28 CO 0.02 0.43 -0.01 0.00 0.51 0.00 0.00 175.35 176.30 1hly s MET 30 N 0.85 0.74 -1.68 0.00 0.00 -0.17 -4.83 119.30 114.20 1hly s MET 30 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 55.69 56.12 1hly s MET 30 Cb -0.14 0.35 0.00 0.00 0.00 0.00 0.00 34.83 35.04 1hly s MET 30 CO 0.02 -0.16 0.00 -1.71 0.00 0.00 0.00 175.02 173.17 1hly n ASN 31 N 2.01 -5.60 0.00 1.11 5.15 -1.26 -1.63 115.26 115.04 1hly n ASN 31 Ca -0.17 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1hly n ASN 31 Cb 0.56 -4.64 0.00 0.00 -0.53 0.00 0.00 39.78 35.17 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 -1.01 0.23 3.10 8.20 0.00 -1.26 -4.99 105.19 109.45 1hly n GLY 32 Ca -0.23 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 1hly n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hly s LYS 33 N -1.08 0.62 0.89 1.61 1.02 -0.65 -0.37 119.74 121.77 1hly s LYS 33 Ca 0.00 -1.18 -0.11 0.00 0.02 0.00 0.00 55.97 54.70 1hly s LYS 33 Cb 0.00 0.22 0.12 0.00 -0.52 0.00 0.00 37.83 37.65 1hly s LYS 33 CO 0.00 -0.12 1.09 0.00 -0.92 0.00 0.00 175.35 175.40 1hly s LYS 35 N -4.89 0.63 0.05 0.00 1.02 0.74 -4.43 119.74 112.87 1hly s LYS 35 Ca 0.63 0.27 -0.26 0.00 0.02 0.00 0.00 55.97 56.63 1hly s LYS 35 Cb -0.18 0.16 -0.05 0.00 -0.52 0.00 0.00 37.83 37.23 1hly s LYS 35 CO 0.57 -1.09 0.81 0.00 -0.92 0.00 0.00 175.35 174.72 1hly s TYR 37 N 0.03 3.27 -0.13 0.00 1.51 0.70 0.39 117.35 123.12 1hly s TYR 37 Ca 0.41 0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 56.70 1hly s TYR 37 Cb -0.21 -1.87 0.03 0.00 -0.11 0.00 0.00 41.96 39.80 1hly s TYR 37 CO 0.24 0.48 2.30 -0.35 -1.11 0.00 0.00 175.55 177.11 1hly n PRO 38 N 2.32 1.49 0.00 -1.71 -0.04 -1.26 -1.93 135.00 133.87 1hly n PRO 38 Ca -0.19 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 1hly n PRO 38 Cb 0.54 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1hly n PRO 38 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04