#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 -0.20 0.12 2.28 1.01 -1.26 -4.95 120.40 117.39 1hly s VAL 2 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1hly s VAL 2 Cb 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1hly s VAL 2 CO 0.00 0.03 -0.05 -0.63 0.00 0.00 0.00 175.10 174.45 1hly s ILE 3 N 1.80 0.71 -0.82 2.22 1.01 -1.26 -5.05 121.20 119.80 1hly s ILE 3 Ca -0.08 -1.95 0.02 0.00 0.00 0.00 0.00 60.65 58.63 1hly s ILE 3 Cb -0.08 -1.80 0.30 0.00 0.01 0.00 0.00 42.46 40.89 1hly s ILE 3 CO -0.15 -0.77 1.23 -0.67 0.00 0.00 0.00 174.94 174.58 1hly n ASP 4 N -0.10 5.45 -4.56 3.58 2.03 -1.26 -4.73 116.55 116.96 1hly n ASP 4 Ca -0.11 -3.56 -0.43 0.00 0.52 0.00 0.00 54.79 51.22 1hly n ASP 4 Cb 0.61 -0.91 -0.04 0.00 -0.72 0.00 0.00 41.12 40.07 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 -3.49 4.42 -0.23 5.18 1.01 -1.26 -5.00 120.40 121.02 1hly s VAL 5 Ca 0.40 0.72 -0.13 0.00 0.00 0.00 0.00 61.98 62.96 1hly s VAL 5 Cb 0.17 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1hly s VAL 5 CO -0.04 -0.92 0.28 -1.59 0.00 0.00 0.00 175.10 172.83 1hly s LYS 6 N 3.90 4.10 0.12 2.72 0.00 -1.26 -0.77 119.74 128.54 1hly s LYS 6 Ca 0.37 -0.05 -0.06 0.00 0.00 0.00 0.00 55.97 56.22 1hly s LYS 6 Cb -0.10 -3.56 -0.02 0.00 0.00 0.00 0.00 37.83 34.15 1hly s LYS 6 CO 0.26 -0.04 0.18 0.00 0.00 0.00 0.00 175.35 175.75 1hly n THR 8 N -0.11 1.47 -4.32 0.00 -2.24 -1.26 -4.38 114.28 103.44 1hly n THR 8 Ca -0.10 -0.68 -0.29 0.00 -2.27 0.00 0.00 64.05 60.71 1hly n THR 8 Cb 0.63 -1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 67.66 1hly n THR 8 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1hly s SER 9 N -6.16 3.80 0.30 3.42 0.01 -1.26 -4.81 113.70 108.99 1hly s SER 9 Ca -0.25 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.43 1hly s SER 9 Cb 0.08 -0.49 0.46 0.00 0.21 0.00 0.00 66.02 66.28 1hly s SER 9 CO 0.70 0.17 1.75 1.55 0.41 0.00 0.00 173.24 177.82 1hly h PRO 10 N 3.65 0.45 -0.88 12.44 0.13 -1.92 -3.28 132.00 142.59 1hly h PRO 10 Ca -0.50 -0.16 0.10 0.00 -0.87 0.00 0.00 66.00 64.58 1hly h PRO 10 Cb 1.17 -0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 1hly h PRO 10 CO 0.46 0.65 0.52 -0.22 -0.23 0.00 0.00 178.00 179.17 1hly h LYS 11 N 0.40 0.82 -0.55 0.86 3.64 -1.96 -0.94 116.57 118.84 1hly h LYS 11 Ca 0.06 -0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1hly h LYS 11 Cb 0.62 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1hly h LYS 11 CO 0.04 0.54 0.39 1.96 -2.27 0.00 0.00 179.45 180.12 1hly h GLN 12 N 0.84 0.06 -0.00 1.90 4.20 -1.98 -1.65 115.11 118.48 1hly h GLN 12 Ca 0.43 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1hly h GLN 12 Cb 0.41 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1hly h GLN 12 CO -0.26 0.04 -0.91 0.00 -0.67 0.00 0.00 178.83 177.03 1hly h LEU 14 N 0.29 0.08 -0.63 0.00 7.12 -0.89 -1.26 115.31 120.01 1hly h LEU 14 Ca 0.00 -0.42 0.05 0.00 0.13 0.00 0.00 57.88 57.64 1hly h LEU 14 Cb 0.52 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.58 1hly h LEU 14 CO 0.00 0.48 0.36 -0.65 -0.13 0.00 0.00 178.44 178.50 1hly h PRO 15 N -0.32 0.66 -0.38 5.25 0.11 -1.84 -1.20 132.00 134.28 1hly h PRO 15 Ca 0.01 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 1hly h PRO 15 Cb 0.45 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1hly h PRO 15 CO 0.01 0.44 -0.26 -1.00 -0.21 0.00 0.00 178.00 176.98 1hly h PRO 16 N 0.68 0.78 -0.19 1.05 0.13 -1.84 -2.02 132.00 130.59 1hly h PRO 16 Ca 0.27 -0.33 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1hly h PRO 16 Cb 0.13 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.20 1hly h PRO 16 CO -0.15 0.95 0.04 0.00 -0.23 0.00 0.00 178.00 178.61 1hly n LYS 18 N -5.08 0.10 0.10 0.00 3.00 -0.47 -2.06 118.16 113.75 1hly n LYS 18 Ca -0.03 0.18 -0.11 0.00 -0.00 0.00 0.00 58.31 58.35 1hly n LYS 18 Cb 0.08 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.54 1hly n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1hly h ALA 19 N 2.67 -0.32 0.00 3.14 0.00 -0.46 -3.43 119.26 120.85 1hly h ALA 19 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1hly h ALA 19 Cb 0.23 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1hly h ALA 19 CO 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 179.25 178.74 1hly n GLN 20 N -5.02 3.78 0.16 0.00 10.64 -1.24 -4.91 117.38 120.80 1hly n GLN 20 Ca -0.08 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.20 1hly n GLN 20 Cb 0.26 -0.55 0.09 0.00 -0.86 0.00 0.00 30.24 29.18 1hly n GLN 20 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 1hly h PHE 21 N 0.00 0.00 -2.28 2.61 0.04 -1.59 -3.47 116.94 112.25 1hly h PHE 21 Ca 0.00 0.00 0.28 0.00 2.80 0.00 0.00 57.97 61.05 1hly h PHE 21 Cb 0.03 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.13 1hly h PHE 21 CO 0.00 0.02 0.79 0.20 -0.60 0.00 0.00 178.31 178.72 1hly s GLY 22 N -4.30 -0.03 -0.03 -1.45 0.00 -0.96 -4.57 107.32 95.98 1hly s GLY 22 Ca 0.03 -0.11 -0.21 0.00 0.00 0.00 0.00 44.72 44.43 1hly s GLY 22 CO 0.73 4.56 0.94 1.19 0.00 0.00 0.00 173.10 180.51 1hly h ILE 23 N 2.00 0.61 0.00 0.90 2.10 -1.91 -3.35 117.51 117.86 1hly h ILE 23 Ca -0.24 -0.84 0.00 0.00 1.08 0.00 0.00 64.86 64.86 1hly h ILE 23 Cb 1.20 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 1hly h ILE 23 CO 0.33 0.14 -0.03 -1.14 -1.08 0.00 0.00 178.15 176.37 1hly n ARG 24 N -5.04 1.33 -1.62 2.19 0.63 -0.57 -5.05 116.66 108.52 1hly n ARG 24 Ca -0.08 -2.39 -0.40 0.00 -0.92 0.00 0.00 57.85 54.06 1hly n ARG 24 Cb 0.26 -1.40 0.03 0.00 0.45 0.00 0.00 32.46 31.80 1hly n ARG 24 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hly n ALA 25 N -1.27 0.30 -2.32 5.13 0.00 -1.12 -4.65 120.51 116.58 1hly n ALA 25 Ca 0.14 0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.56 1hly n ALA 25 Cb 0.61 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.85 1hly n ALA 25 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1hly s GLY 26 N -0.89 1.41 -0.04 0.00 0.00 -0.72 -4.57 107.32 102.50 1hly s GLY 26 Ca 0.67 -1.67 -0.01 0.00 0.00 0.00 0.00 44.72 43.71 1hly s GLY 26 CO 0.54 -1.69 0.07 0.00 0.00 0.00 0.00 173.10 172.02 1hly s ALA 27 N -3.22 -0.07 0.01 3.20 0.00 -1.26 0.11 121.76 120.52 1hly s ALA 27 Ca 0.23 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 1hly s ALA 27 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1hly s ALA 27 CO 0.06 -0.11 0.04 0.21 0.00 0.00 0.00 175.76 175.96 1hly s LYS 28 N 0.93 0.33 -0.02 0.00 2.36 -0.43 -4.64 119.74 118.28 1hly s LYS 28 Ca -0.08 -0.42 -0.05 0.00 -2.55 0.00 0.00 55.97 52.88 1hly s LYS 28 Cb -0.10 0.13 -0.04 0.00 -1.05 0.00 0.00 37.83 36.76 1hly s LYS 28 CO -0.04 -0.06 0.21 0.00 1.55 0.00 0.00 175.35 177.01 1hly s MET 30 N -1.76 0.83 -1.57 0.00 0.00 -0.31 -4.94 119.30 111.55 1hly s MET 30 Ca 0.26 0.62 -0.02 0.00 0.00 0.00 0.00 55.69 56.55 1hly s MET 30 Cb -0.13 0.40 0.00 0.00 0.00 0.00 0.00 34.83 35.10 1hly s MET 30 CO 0.16 -0.17 0.25 -1.71 0.00 0.00 0.00 175.02 173.55 1hly n ASN 31 N 1.86 -5.69 -0.28 1.11 5.15 -1.26 -1.58 115.26 114.57 1hly n ASN 31 Ca -0.15 -0.13 -0.04 0.00 -0.60 0.00 0.00 54.58 53.67 1hly n ASN 31 Cb 0.56 -4.63 -0.02 0.00 -0.53 0.00 0.00 39.78 35.16 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 -1.22 0.55 3.08 8.20 0.00 -1.26 -5.00 105.19 109.54 1hly n GLY 32 Ca -0.18 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.69 0.50 0.81 1.61 1.02 -0.61 -1.13 119.74 120.25 1hly s LYS 33 Ca 0.00 -0.70 -0.11 0.00 0.02 0.00 0.00 55.97 55.18 1hly s LYS 33 Cb 0.00 0.19 0.08 0.00 -0.52 0.00 0.00 37.83 37.58 1hly s LYS 33 CO 0.00 -0.11 1.09 0.00 -0.92 0.00 0.00 175.35 175.41 1hly s LYS 35 N -4.92 0.52 -0.32 0.00 3.01 0.98 -4.81 119.74 114.21 1hly s LYS 35 Ca 0.62 -1.06 -0.27 0.00 -1.01 0.00 0.00 55.97 54.25 1hly s LYS 35 Cb -0.17 -1.48 0.01 0.00 -1.01 0.00 0.00 37.83 35.18 1hly s LYS 35 CO 0.56 -1.10 0.97 0.00 0.51 0.00 0.00 175.35 176.29 1hly s TYR 37 N 3.39 3.22 -1.39 0.00 1.51 0.12 -4.77 117.35 119.43 1hly s TYR 37 Ca 0.40 -0.53 -0.16 0.00 -1.01 0.00 0.00 57.07 55.77 1hly s TYR 37 Cb -0.13 -2.66 0.06 0.00 -0.11 0.00 0.00 41.96 39.11 1hly s TYR 37 CO 0.14 -0.61 2.01 -0.35 -1.11 0.00 0.00 175.55 175.63 1hly n PRO 38 N 5.27 3.01 0.00 -1.71 -0.04 -1.26 -1.76 135.00 138.51 1hly n PRO 38 Ca -0.10 -2.91 0.15 0.00 -0.04 0.00 0.00 63.50 60.60 1hly n PRO 38 Cb 0.47 -3.38 0.80 0.00 -0.04 0.00 0.00 33.50 31.36 1hly n PRO 38 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04