#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd n ALA 3 N 0.00 -1.63 -1.81 -1.39 0.00 -1.26 -4.94 120.51 109.48 2pdd n ALA 3 Ca 0.00 -0.44 -0.33 0.00 0.00 0.00 0.00 53.44 52.66 2pdd n ALA 3 Cb 0.00 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 2pdd n ALA 3 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2pdd s MET 4 N -3.56 4.12 -0.81 0.00 -1.94 -1.26 -4.87 119.30 110.98 2pdd s MET 4 Ca 0.63 1.18 -0.27 0.00 -1.71 0.00 0.00 55.69 55.53 2pdd s MET 4 Cb -0.27 -2.16 -0.26 0.00 2.01 0.00 0.00 34.83 34.15 2pdd s MET 4 CO 0.61 -0.13 1.95 -0.35 -0.01 0.00 0.00 175.02 177.09 2pdd n PRO 5 N -0.71 0.07 0.00 2.03 -0.04 -1.26 -2.51 135.00 132.58 2pdd n PRO 5 Ca 0.08 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 2pdd n PRO 5 Cb 0.54 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.48 2pdd n PRO 5 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2pdd n SER 6 N 17.08 0.00 -0.07 3.54 2.88 -1.26 -4.95 113.62 130.84 2pdd n SER 6 Ca 0.40 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.90 2pdd n SER 6 Cb 0.46 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 2pdd n SER 6 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2pdd h VAL 7 N 0.00 0.21 -0.81 2.46 2.07 -1.87 -3.27 116.25 115.04 2pdd h VAL 7 Ca 0.00 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 2pdd h VAL 7 Cb 0.00 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 2pdd h VAL 7 CO 0.00 0.07 0.47 -0.09 0.02 0.00 0.00 177.57 178.04 2pdd h ARG 8 N -1.00 1.11 -0.76 1.57 2.43 -1.93 -2.39 114.38 113.41 2pdd h ARG 8 Ca -0.03 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2pdd h ARG 8 Cb 0.41 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 2pdd h ARG 8 CO -0.02 0.79 0.45 0.87 -1.51 0.00 0.00 179.97 180.56 2pdd h LYS 9 N 1.12 0.80 -0.43 0.20 1.79 -1.87 -1.39 116.57 116.79 2pdd h LYS 9 Ca 0.29 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.77 2pdd h LYS 9 Cb -0.02 -0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 30.40 2pdd h LYS 9 CO -0.05 0.53 0.13 -0.92 -1.08 0.00 0.00 179.45 178.06 2pdd h TYR 10 N 0.83 0.23 -0.44 -1.35 5.03 -1.48 0.13 116.97 119.92 2pdd h TYR 10 Ca 0.34 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.75 2pdd h TYR 10 Cb 0.18 -0.04 -0.07 0.00 1.55 0.00 0.00 36.73 38.35 2pdd h TYR 10 CO -0.05 0.07 0.03 0.00 -1.32 0.00 0.00 178.16 176.89 2pdd h ALA 11 N 1.30 0.44 -0.59 1.82 0.00 -1.16 -0.63 119.26 120.44 2pdd h ALA 11 Ca 0.21 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2pdd h ALA 11 Cb 0.22 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2pdd h ALA 11 CO -0.23 -0.36 0.35 0.00 0.00 0.00 0.00 179.25 179.01 2pdd h ARG 12 N 0.15 0.80 -0.15 0.00 2.47 -0.59 1.08 114.38 118.13 2pdd h ARG 12 Ca 0.22 -0.07 0.04 0.00 -1.26 0.00 0.00 59.98 58.91 2pdd h ARG 12 Cb 0.30 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2pdd h ARG 12 CO -0.33 0.58 0.12 0.93 0.56 0.00 0.00 179.97 181.83 2pdd h GLU 13 N 0.79 0.00 0.00 0.04 4.39 0.57 -0.88 114.58 119.50 2pdd h GLU 13 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2pdd h GLU 13 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2pdd h GLU 13 CO -0.04 0.00 -1.06 1.63 -1.16 0.00 0.00 179.01 178.38 2pdd n LYS 14 N -4.29 0.51 -1.24 2.33 4.76 -0.38 -5.01 118.16 114.84 2pdd n LYS 14 Ca 0.01 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2pdd n LYS 14 Cb 0.25 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 2pdd n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pdd n GLY 15 N 1.45 0.56 3.00 0.72 0.00 0.34 -5.07 105.19 106.19 2pdd n GLY 15 Ca 0.03 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.83 -0.04 -0.22 1.61 1.01 0.44 -4.97 120.40 115.39 2pdd s VAL 16 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 2pdd s VAL 16 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 2pdd s VAL 16 CO 0.00 0.06 0.73 -0.62 0.00 0.00 0.00 175.10 175.27 2pdd s ASP 17 N 1.18 6.75 0.29 3.32 -1.08 -1.26 -4.07 116.67 121.81 2pdd s ASP 17 Ca -0.09 0.92 0.03 0.00 -0.52 0.00 0.00 52.55 52.90 2pdd s ASP 17 Cb -0.11 -2.39 0.75 0.00 -1.46 0.00 0.00 42.92 39.71 2pdd s ASP 17 CO -0.07 -0.40 1.65 -0.29 0.52 0.00 0.00 175.17 176.58 2pdd h ILE 18 N 5.32 0.30 -0.13 4.11 6.09 -1.94 -1.66 117.51 129.61 2pdd h ILE 18 Ca -0.27 -0.07 0.04 0.00 -1.37 0.00 0.00 64.86 63.18 2pdd h ILE 18 Cb 1.12 0.07 -0.07 0.00 0.47 0.00 0.00 36.82 38.42 2pdd h ILE 18 CO 0.82 0.04 -0.49 -0.09 -3.07 0.00 0.00 178.15 175.35 2pdd h ARG 19 N 0.21 -0.53 -0.70 2.19 2.43 -1.93 -0.32 114.38 115.73 2pdd h ARG 19 Ca 0.57 0.04 0.20 0.00 -0.81 0.00 0.00 59.98 59.98 2pdd h ARG 19 Cb 1.17 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 2pdd h ARG 19 CO -0.66 -0.35 0.52 -0.07 -1.51 0.00 0.00 179.97 177.90 2pdd h LEU 20 N -0.55 0.00 -9.84 3.80 3.38 -1.72 -3.41 115.31 106.98 2pdd h LEU 20 Ca 0.05 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.50 2pdd h LEU 20 Cb 0.66 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.46 2pdd h LEU 20 CO -0.42 0.00 0.60 -0.69 0.09 0.00 0.00 178.44 178.02 2pdd s VAL 21 N -4.95 2.97 -0.36 1.22 1.01 -0.13 -4.95 120.40 115.20 2pdd s VAL 21 Ca -0.05 0.95 0.13 0.00 0.00 0.00 0.00 61.98 63.01 2pdd s VAL 21 Cb 0.20 -3.61 0.40 0.00 0.00 0.00 0.00 36.38 33.38 2pdd s VAL 21 CO 0.73 0.22 0.98 0.00 0.00 0.00 0.00 175.10 177.03 2pdd n GLN 22 N 1.11 1.09 0.00 2.72 6.02 -1.26 -4.75 117.38 122.31 2pdd n GLN 22 Ca 0.00 -2.88 0.00 0.00 -0.01 0.00 0.00 57.00 54.11 2pdd n GLN 22 Cb 0.43 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.55 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 -0.01 -0.46 0.05 1.08 0.00 -1.26 -4.85 105.19 99.73 2pdd n GLY 23 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 2pdd n GLY 23 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pdd h THR 24 N 0.00 0.00 -3.03 2.61 1.35 -1.94 -3.45 112.91 108.45 2pdd h THR 24 Ca 0.00 -0.40 -0.49 0.00 -0.55 0.00 0.00 66.41 64.97 2pdd h THR 24 Cb 0.00 0.00 -0.41 0.00 -1.73 0.00 0.00 68.15 66.01 2pdd h THR 24 CO 0.00 0.00 -0.76 -0.83 -0.25 0.00 0.00 175.52 173.68 2pdd s GLY 25 N -2.56 0.48 0.00 5.82 0.00 -1.25 -5.12 107.32 104.69 2pdd s GLY 25 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2pdd s GLY 25 CO 0.03 1.76 0.00 0.58 0.00 0.00 0.00 173.10 175.47 2pdd n LYS 26 N 5.21 0.55 0.00 2.90 2.85 -1.26 -2.36 118.16 126.05 2pdd n LYS 26 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 2pdd n LYS 26 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 2pdd n LYS 26 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2pdd n ASN 27 N -0.80 -3.46 0.27 -5.58 0.23 -1.26 -2.73 115.26 101.93 2pdd n ASN 27 Ca 0.00 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.20 2pdd n ASN 27 Cb 0.00 0.00 0.69 0.00 -2.08 0.00 0.00 39.78 38.39 2pdd n ASN 27 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2pdd h GLY 28 N 0.00 0.00 -3.44 4.83 0.00 -1.98 -1.88 103.07 100.60 2pdd h GLY 28 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2pdd h GLY 28 CO 0.00 0.00 0.43 0.54 0.00 0.00 0.00 176.54 177.51 2pdd n ARG 29 N -3.00 1.83 -3.39 4.80 5.12 -1.11 -4.79 116.66 116.12 2pdd n ARG 29 Ca 0.01 -1.64 -0.32 0.00 -1.93 0.00 0.00 57.85 53.96 2pdd n ARG 29 Cb 0.54 -1.64 -0.05 0.00 -1.16 0.00 0.00 32.46 30.14 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 -2.34 4.91 0.50 1.55 1.01 -0.71 -3.90 120.40 121.42 2pdd s VAL 30 Ca 0.32 0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.92 2pdd s VAL 30 Cb 0.26 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 33.03 2pdd s VAL 30 CO 0.00 -0.04 0.46 -0.76 0.00 0.00 0.00 175.10 174.77 2pdd s LEU 31 N -2.71 3.05 0.09 3.92 1.02 -1.26 -5.02 118.68 117.76 2pdd s LEU 31 Ca 0.47 -0.98 -0.10 0.00 0.02 0.00 0.00 54.13 53.54 2pdd s LEU 31 Cb -0.12 -1.61 -0.20 0.00 0.02 0.00 0.00 46.19 44.29 2pdd s LEU 31 CO 0.21 -0.97 1.21 0.50 0.02 0.00 0.00 176.35 177.32 2pdd h LYS 32 N 0.76 0.56 0.00 1.70 3.64 -1.98 -2.87 116.57 118.38 2pdd h LYS 32 Ca -0.37 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 58.36 2pdd h LYS 32 Cb 1.29 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 2pdd h LYS 32 CO 0.54 1.26 0.00 0.39 -2.27 0.00 0.00 179.45 179.37 2pdd n GLU 33 N -3.78 0.24 0.18 1.90 -0.58 -1.26 -2.98 120.64 114.35 2pdd n GLU 33 Ca -0.10 0.10 -0.13 0.00 -0.42 0.00 0.00 57.16 56.62 2pdd n GLU 33 Cb 0.90 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.19 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2pdd h ASP 34 N 0.00 -0.42 0.31 1.62 1.82 -1.84 -2.98 116.42 114.93 2pdd h ASP 34 Ca 0.00 -0.14 -0.17 0.00 -0.39 0.00 0.00 57.03 56.32 2pdd h ASP 34 Cb 0.22 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 2pdd h ASP 34 CO 0.00 -0.03 -0.70 0.40 -1.61 0.00 0.00 179.24 177.30 2pdd h ILE 35 N -0.87 1.39 -1.00 2.25 2.04 -1.51 -2.98 117.51 116.83 2pdd h ILE 35 Ca -0.05 -2.13 0.17 0.00 1.00 0.00 0.00 64.86 63.85 2pdd h ILE 35 Cb 0.54 2.10 -0.10 0.00 -0.74 0.00 0.00 36.82 38.62 2pdd h ILE 35 CO 0.08 0.63 0.62 0.44 0.00 0.00 0.00 178.15 179.92 2pdd h ASP 36 N 0.24 0.83 0.20 1.72 3.32 -1.58 0.17 116.42 121.32 2pdd h ASP 36 Ca -0.02 0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 2pdd h ASP 36 Cb 1.26 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2pdd h ASP 36 CO 0.12 0.34 -0.63 0.00 -1.72 0.00 0.00 179.24 177.35 2pdd h ALA 37 N 1.61 0.70 -0.09 3.45 0.00 -1.43 -2.22 119.26 121.29 2pdd h ALA 37 Ca 0.56 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pdd h ALA 37 Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2pdd h ALA 37 CO -0.35 0.72 0.00 0.34 0.00 0.00 0.00 179.25 179.97 2pdd n PHE 38 N -3.89 0.00 0.15 0.00 7.35 0.60 -3.60 117.46 118.07 2pdd n PHE 38 Ca -0.03 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.59 2pdd n PHE 38 Cb 0.65 -0.49 -0.03 0.00 0.35 0.00 0.00 39.48 39.96 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 -0.36 0.00 -2.13 6.46 -1.65 -3.45 115.31 114.18 2pdd h LEU 39 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2pdd h LEU 39 Cb 0.00 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2pdd h LEU 39 CO 0.00 -0.06 0.00 0.00 -0.62 0.00 0.00 178.44 177.76 2pdd n ALA 40 N -2.52 0.00 -1.50 1.25 0.00 -0.83 -3.67 120.51 113.25 2pdd n ALA 40 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 2pdd n ALA 40 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.33 0.32 0.00 0.00 -1.26 -5.11 105.19 98.81 2pdd n GLY 41 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -2.72 0.00 -0.02 0.00 -1.24 -5.27 105.19 95.94 2pdd n GLY 42 Ca -0.03 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32