#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd s ALA 3 N 0.00 2.22 0.44 -1.39 0.00 -1.26 -4.55 121.76 117.21 2pdd s ALA 3 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.59 2pdd s ALA 3 Cb 0.00 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 2pdd s ALA 3 CO 0.00 -1.74 1.03 -1.64 0.00 0.00 0.00 175.76 173.40 2pdd s MET 4 N -5.12 4.02 -0.59 0.00 -1.94 -1.26 -4.89 119.30 109.53 2pdd s MET 4 Ca 0.61 1.38 -0.22 0.00 -1.71 0.00 0.00 55.69 55.75 2pdd s MET 4 Cb -0.15 -2.29 -0.19 0.00 2.01 0.00 0.00 34.83 34.20 2pdd s MET 4 CO 0.55 -0.25 1.84 -0.35 -0.01 0.00 0.00 175.02 176.80 2pdd n PRO 5 N -0.54 1.17 0.02 2.03 -0.04 -1.26 -3.25 135.00 133.13 2pdd n PRO 5 Ca 0.07 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 2pdd n PRO 5 Cb 0.52 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 2pdd n PRO 5 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2pdd n SER 6 N 7.48 -0.43 -0.22 3.54 7.64 -1.26 -4.95 113.62 125.41 2pdd n SER 6 Ca 0.47 0.40 -0.08 0.00 1.01 0.00 0.00 58.87 60.67 2pdd n SER 6 Cb 0.37 0.73 0.03 0.00 -1.01 0.00 0.00 64.21 64.33 2pdd n SER 6 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2pdd h VAL 7 N 0.00 1.25 -0.09 0.44 2.07 -1.95 -2.46 116.25 115.51 2pdd h VAL 7 Ca 0.00 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 2pdd h VAL 7 Cb 0.00 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2pdd h VAL 7 CO 0.00 0.34 -0.13 -0.09 0.02 0.00 0.00 177.57 177.71 2pdd h ARG 8 N 0.90 0.14 -0.64 1.57 2.43 -1.93 -2.45 114.38 114.41 2pdd h ARG 8 Ca 0.19 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.41 2pdd h ARG 8 Cb 0.35 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 2pdd h ARG 8 CO 0.00 0.28 0.30 0.87 -1.51 0.00 0.00 179.97 179.91 2pdd h LYS 9 N 0.14 0.53 0.01 0.20 1.79 -1.72 0.55 116.57 118.06 2pdd h LYS 9 Ca 0.03 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2pdd h LYS 9 Cb 0.32 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 2pdd h LYS 9 CO 0.02 0.35 -0.08 -0.92 -1.08 0.00 0.00 179.45 177.74 2pdd h TYR 10 N 0.54 -0.20 -0.73 -1.35 3.20 -1.44 0.69 116.97 117.68 2pdd h TYR 10 Ca 0.30 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.33 2pdd h TYR 10 Cb 0.29 0.09 -0.10 0.00 1.54 0.00 0.00 36.73 38.55 2pdd h TYR 10 CO -0.12 -0.13 0.22 0.00 -1.64 0.00 0.00 178.16 176.50 2pdd h ALA 11 N 0.84 0.97 -0.25 1.82 0.00 -1.19 -0.12 119.26 121.34 2pdd h ALA 11 Ca 0.03 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2pdd h ALA 11 Cb 0.18 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2pdd h ALA 11 CO -0.08 -0.29 0.12 0.00 0.00 0.00 0.00 179.25 179.00 2pdd h ARG 12 N 0.34 0.36 -0.94 0.00 3.08 -0.05 0.55 114.38 117.70 2pdd h ARG 12 Ca 0.40 -0.05 0.16 0.00 0.07 0.00 0.00 59.98 60.57 2pdd h ARG 12 Cb 0.66 -0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.54 2pdd h ARG 12 CO -0.46 0.35 0.55 0.93 -1.07 0.00 0.00 179.97 180.28 2pdd h GLU 13 N 0.27 0.73 0.00 0.04 5.08 0.89 -3.20 114.58 118.39 2pdd h GLU 13 Ca 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2pdd h GLU 13 Cb 0.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2pdd h GLU 13 CO -0.01 0.48 -0.01 0.87 -1.00 0.00 0.00 179.01 179.34 2pdd h LYS 14 N 0.75 0.00 0.00 2.33 1.79 -0.78 -3.50 116.57 117.16 2pdd h LYS 14 Ca 0.52 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.99 2pdd h LYS 14 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2pdd h LYS 14 CO -0.36 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.42 2pdd n GLY 15 N 1.95 0.10 3.60 3.86 0.00 0.19 -5.10 105.19 109.78 2pdd n GLY 15 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2pdd n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pdd s VAL 16 N -0.12 3.87 -0.21 1.61 1.01 -0.99 -5.03 120.40 120.54 2pdd s VAL 16 Ca 0.00 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.32 2pdd s VAL 16 Cb 0.00 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 2pdd s VAL 16 CO 0.00 0.59 0.84 -0.62 0.00 0.00 0.00 175.10 175.91 2pdd s ASP 17 N -0.69 6.91 0.27 3.32 -1.08 -1.26 -4.58 116.67 119.55 2pdd s ASP 17 Ca 0.11 1.12 -0.00 0.00 -0.52 0.00 0.00 52.55 53.25 2pdd s ASP 17 Cb -0.11 -2.45 0.60 0.00 -1.46 0.00 0.00 42.92 39.50 2pdd s ASP 17 CO 0.02 -0.47 1.69 -0.29 0.52 0.00 0.00 175.17 176.64 2pdd h ILE 18 N 5.32 0.49 -0.35 4.11 6.09 -1.95 -1.38 117.51 129.84 2pdd h ILE 18 Ca -0.26 -0.12 0.06 0.00 -1.37 0.00 0.00 64.86 63.18 2pdd h ILE 18 Cb 1.11 0.12 -0.06 0.00 0.47 0.00 0.00 36.82 38.46 2pdd h ILE 18 CO 0.86 0.06 -0.02 -0.09 -3.07 0.00 0.00 178.15 175.89 2pdd h ARG 19 N 0.34 0.07 -0.63 2.19 2.43 -1.94 -1.84 114.38 115.00 2pdd h ARG 19 Ca 0.49 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.73 2pdd h ARG 19 Cb 0.89 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 2pdd h ARG 19 CO -0.52 0.05 0.42 -0.07 -1.51 0.00 0.00 179.97 178.33 2pdd h LEU 20 N 0.07 0.49 -9.87 3.80 3.38 -1.66 -3.42 115.31 108.10 2pdd h LEU 20 Ca 0.17 0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.62 2pdd h LEU 20 Cb 0.24 -0.10 0.07 0.00 0.09 0.00 0.00 40.66 40.96 2pdd h LEU 20 CO -0.30 0.31 0.65 -0.69 0.09 0.00 0.00 178.44 178.50 2pdd s VAL 21 N -5.51 2.70 -0.38 1.22 1.01 -0.69 -4.96 120.40 113.80 2pdd s VAL 21 Ca -0.09 0.70 0.12 0.00 0.00 0.00 0.00 61.98 62.71 2pdd s VAL 21 Cb 0.19 -3.45 0.36 0.00 0.00 0.00 0.00 36.38 33.49 2pdd s VAL 21 CO 0.76 0.16 0.82 0.00 0.00 0.00 0.00 175.10 176.84 2pdd n GLN 22 N 0.91 1.00 0.00 2.72 6.02 -1.26 -4.94 117.38 121.82 2pdd n GLN 22 Ca 0.00 -3.15 0.00 0.00 -0.01 0.00 0.00 57.00 53.85 2pdd n GLN 22 Cb 0.42 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.14 2pdd n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pdd n GLY 23 N 0.23 1.79 0.92 1.08 0.00 -1.26 -5.01 105.19 102.94 2pdd n GLY 23 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 2pdd n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pdd n THR 24 N 0.00 0.07 -0.35 2.61 -2.24 -1.26 -4.80 114.28 108.31 2pdd n THR 24 Ca 0.00 0.06 0.01 0.00 -2.27 0.00 0.00 64.05 61.85 2pdd n THR 24 Cb 0.00 -1.08 0.07 0.00 -2.10 0.00 0.00 70.33 67.22 2pdd n THR 24 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2pdd h GLY 25 N -0.00 0.26 -1.06 3.38 0.00 -1.89 -3.46 103.07 100.28 2pdd h GLY 25 Ca 0.00 0.45 0.13 0.00 0.00 0.00 0.00 47.33 47.91 2pdd h GLY 25 CO 0.00 -0.26 -0.17 0.28 0.00 0.00 0.00 176.54 176.39 2pdd n LYS 26 N -5.51 -0.96 -0.03 4.80 5.02 -1.24 -4.26 118.16 115.98 2pdd n LYS 26 Ca 0.11 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 2pdd n LYS 26 Cb 0.42 -1.17 -0.00 0.00 -0.02 0.00 0.00 35.03 34.26 2pdd n LYS 26 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2pdd n ASN 27 N -4.23 -1.00 0.00 4.39 0.23 -1.26 -1.34 115.26 112.05 2pdd n ASN 27 Ca 0.00 0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 2pdd n ASN 27 Cb 0.22 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 2pdd n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pdd n GLY 28 N -0.16 -0.23 2.46 4.83 0.00 -1.26 -1.57 105.19 109.26 2pdd n GLY 28 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2pdd n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pdd n ARG 29 N -1.18 3.17 -1.30 1.61 5.12 -0.63 -4.26 116.66 119.18 2pdd n ARG 29 Ca 0.00 -3.96 -0.32 0.00 -1.93 0.00 0.00 57.85 51.65 2pdd n ARG 29 Cb 0.13 -2.27 0.09 0.00 -1.16 0.00 0.00 32.46 29.25 2pdd n ARG 29 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2pdd s VAL 30 N -5.08 3.04 0.47 1.55 1.01 -0.45 -3.59 120.40 117.36 2pdd s VAL 30 Ca 0.53 0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.97 2pdd s VAL 30 Cb 0.43 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 34.02 2pdd s VAL 30 CO -0.16 -0.40 0.51 -0.76 0.00 0.00 0.00 175.10 174.29 2pdd s LEU 31 N -5.72 3.29 -0.06 3.92 1.43 -1.26 -4.78 118.68 115.49 2pdd s LEU 31 Ca 0.64 -0.77 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 2pdd s LEU 31 Cb -0.20 -1.97 -0.18 0.00 0.03 0.00 0.00 46.19 43.87 2pdd s LEU 31 CO 0.52 -0.89 0.94 0.50 0.23 0.00 0.00 176.35 177.64 2pdd h LYS 32 N 0.71 -0.12 0.00 1.70 1.63 -1.96 -2.93 116.57 115.60 2pdd h LYS 32 Ca -0.38 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 2pdd h LYS 32 Cb 1.28 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 2pdd h LYS 32 CO 0.51 0.40 0.00 -0.85 -3.45 0.00 0.00 179.45 176.06 2pdd n GLU 33 N -4.86 0.07 0.33 1.90 0.28 -1.26 -2.56 120.64 114.53 2pdd n GLU 33 Ca -0.08 0.23 -0.14 0.00 -0.16 0.00 0.00 57.16 57.01 2pdd n GLU 33 Cb 0.29 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.59 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2pdd h ASP 34 N 0.00 -0.73 0.37 -1.84 1.82 -1.84 -2.95 116.42 111.25 2pdd h ASP 34 Ca 0.00 -0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.47 2pdd h ASP 34 Cb 0.04 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 2pdd h ASP 34 CO 0.00 -0.36 -0.70 0.40 -1.61 0.00 0.00 179.24 176.98 2pdd h ILE 35 N -1.17 1.41 -0.92 2.25 2.04 -1.37 -3.03 117.51 116.73 2pdd h ILE 35 Ca -0.09 -2.16 0.17 0.00 1.00 0.00 0.00 64.86 63.79 2pdd h ILE 35 Cb 0.69 2.13 -0.10 0.00 -0.74 0.00 0.00 36.82 38.79 2pdd h ILE 35 CO 0.14 0.64 0.50 -0.78 0.00 0.00 0.00 178.15 178.66 2pdd h ASP 36 N 0.20 0.61 0.33 1.72 3.58 -1.57 0.19 116.42 121.47 2pdd h ASP 36 Ca -0.02 0.10 -0.17 0.00 0.42 0.00 0.00 57.03 57.37 2pdd h ASP 36 Cb 1.25 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 2pdd h ASP 36 CO 0.11 0.21 -0.68 0.00 -2.88 0.00 0.00 179.24 176.01 2pdd h ALA 37 N 1.61 0.71 -0.28 -0.78 0.00 -1.45 -1.05 119.26 118.02 2pdd h ALA 37 Ca 0.52 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2pdd h ALA 37 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2pdd h ALA 37 CO -0.39 0.76 0.00 0.34 0.00 0.00 0.00 179.25 179.96 2pdd n PHE 38 N -3.84 0.00 -0.02 0.00 7.35 0.65 -3.19 117.46 118.42 2pdd n PHE 38 Ca -0.03 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.50 2pdd n PHE 38 Cb 0.67 -0.45 -0.10 0.00 0.35 0.00 0.00 39.48 39.95 2pdd n PHE 38 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2pdd h LEU 39 N 0.00 0.43 0.00 -2.13 6.46 -1.65 -3.45 115.31 114.96 2pdd h LEU 39 Ca 0.00 -0.71 0.00 0.00 -0.12 0.00 0.00 57.88 57.05 2pdd h LEU 39 Cb 0.00 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 2pdd h LEU 39 CO 0.00 1.07 0.00 0.00 -0.62 0.00 0.00 178.44 178.89 2pdd n ALA 40 N -2.54 0.00 -1.17 1.25 0.00 -0.40 -4.69 120.51 112.96 2pdd n ALA 40 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 2pdd n ALA 40 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 2pdd n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pdd n GLY 41 N 0.00 0.63 3.22 0.00 0.00 -1.26 -1.48 105.19 106.30 2pdd n GLY 41 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2pdd n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdd n GLY 42 N 0.06 2.92 0.00 -0.02 0.00 -1.26 -5.29 105.19 101.60 2pdd n GLY 42 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32