#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd s ILE 2 N 0.00 1.77 0.00 2.52 -1.09 -1.26 -4.92 121.20 118.22 2pdd s ILE 2 Ca 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 2pdd s ILE 2 Cb 0.00 -2.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.84 2pdd s ILE 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 174.94 173.71 2pdd n ALA 3 N -5.21 0.00 -1.79 9.38 0.00 -1.26 -4.84 120.51 116.79 2pdd n ALA 3 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 2pdd n ALA 3 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 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 1.55 3.79 0.00 0.00 -1.94 -1.26 -4.88 119.30 116.56 2pdd s MET 4 Ca 0.00 1.33 0.00 0.00 -1.71 0.00 0.00 55.69 55.31 2pdd s MET 4 Cb 0.00 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.74 2pdd s MET 4 CO 0.00 -0.43 0.46 -0.35 -0.01 0.00 0.00 175.02 174.69 2pdd n PRO 5 N -1.04 0.41 0.00 2.03 -0.04 -1.26 -2.74 135.00 132.36 2pdd n PRO 5 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2pdd n PRO 5 Cb 0.53 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.90 0.00 0.06 3.54 2.88 -1.26 -4.83 113.62 114.91 2pdd n SER 6 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 2pdd n SER 6 Cb 0.21 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.65 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 0.00 -0.58 2.46 2.07 -1.90 -3.05 116.25 115.25 2pdd h VAL 7 Ca 0.00 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 2pdd h VAL 7 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 2pdd h VAL 7 CO 0.00 0.00 0.18 -0.09 0.02 0.00 0.00 177.57 177.68 2pdd h ARG 8 N -1.03 0.87 -0.98 1.57 2.43 -1.94 -2.41 114.38 112.89 2pdd h ARG 8 Ca -0.03 -0.16 0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2pdd h ARG 8 Cb 0.19 -0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 29.53 2pdd h ARG 8 CO 0.04 0.75 0.62 0.87 -1.51 0.00 0.00 179.97 180.74 2pdd h LYS 9 N 0.84 1.01 -0.08 0.20 1.79 -1.81 -1.19 116.57 117.34 2pdd h LYS 9 Ca 0.19 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.63 2pdd h LYS 9 Cb 0.24 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 2pdd h LYS 9 CO -0.01 0.67 -0.09 -0.92 -1.08 0.00 0.00 179.45 178.02 2pdd h TYR 10 N 1.05 -0.23 -0.73 -1.35 3.20 -1.31 0.99 116.97 118.59 2pdd h TYR 10 Ca 0.46 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.49 2pdd h TYR 10 Cb 0.34 0.12 -0.10 0.00 1.54 0.00 0.00 36.73 38.62 2pdd h TYR 10 CO -0.01 -0.14 0.21 0.00 -1.64 0.00 0.00 178.16 176.58 2pdd h ALA 11 N 0.92 0.96 -0.27 1.82 0.00 -1.20 -0.26 119.26 121.23 2pdd h ALA 11 Ca 0.06 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2pdd h ALA 11 Cb 0.21 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2pdd h ALA 11 CO -0.15 -0.30 0.12 0.00 0.00 0.00 0.00 179.25 178.92 2pdd h ARG 12 N 0.32 0.40 -0.04 0.00 3.08 -0.53 0.22 114.38 117.83 2pdd h ARG 12 Ca 0.40 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.42 2pdd h ARG 12 Cb 0.66 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.59 2pdd h ARG 12 CO -0.46 0.42 -0.35 0.93 -1.07 0.00 0.00 179.97 179.43 2pdd h GLU 13 N 0.30 -0.46 0.25 0.04 5.08 0.88 -3.22 114.58 117.45 2pdd h GLU 13 Ca 0.09 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2pdd h GLU 13 Cb 0.16 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2pdd h GLU 13 CO -0.01 -0.31 -0.12 0.87 -1.00 0.00 0.00 179.01 178.44 2pdd h LYS 14 N -0.48 -0.32 0.00 2.33 1.79 -1.24 -3.49 116.57 115.16 2pdd h LYS 14 Ca 0.07 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2pdd h LYS 14 Cb 0.58 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2pdd h LYS 14 CO -0.31 -0.21 0.00 0.41 -1.08 0.00 0.00 179.45 178.26 2pdd n GLY 15 N -0.04 0.01 2.95 3.86 0.00 0.70 -5.11 105.19 107.56 2pdd n GLY 15 Ca -0.04 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 -0.01 -0.48 1.61 1.01 -0.83 -5.04 120.40 116.66 2pdd s VAL 16 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 2pdd s VAL 16 Cb 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.28 2pdd s VAL 16 CO 0.00 0.01 0.99 -0.62 0.00 0.00 0.00 175.10 175.47 2pdd s ASP 17 N 0.15 6.50 0.33 3.32 -1.08 -1.26 -4.53 116.67 120.10 2pdd s ASP 17 Ca -0.01 0.12 0.12 0.00 -0.52 0.00 0.00 52.55 52.26 2pdd s ASP 17 Cb -0.02 -2.47 1.03 0.00 -1.46 0.00 0.00 42.92 40.00 2pdd s ASP 17 CO -0.00 -1.14 1.64 -0.29 0.52 0.00 0.00 175.17 175.90 2pdd h ILE 18 N 6.11 0.25 -0.05 4.11 2.10 -1.96 -1.22 117.51 126.85 2pdd h ILE 18 Ca -0.24 -0.08 0.03 0.00 1.08 0.00 0.00 64.86 65.65 2pdd h ILE 18 Cb 1.07 -0.02 -0.06 0.00 -1.09 0.00 0.00 36.82 36.73 2pdd h ILE 18 CO 1.06 0.04 -0.46 -0.09 -1.08 0.00 0.00 178.15 177.63 2pdd h ARG 19 N 0.24 -0.56 -0.42 2.19 2.43 -1.92 -0.91 114.38 115.45 2pdd h ARG 19 Ca 0.71 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 60.04 2pdd h ARG 19 Cb 1.61 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 31.27 2pdd h ARG 19 CO -0.65 -0.37 0.35 -0.07 -1.51 0.00 0.00 179.97 177.71 2pdd h LEU 20 N -0.58 0.00 -9.97 3.80 3.38 -1.63 -3.42 115.31 106.89 2pdd h LEU 20 Ca 0.05 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.48 2pdd h LEU 20 Cb 0.67 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.52 2pdd h LEU 20 CO -0.37 0.00 0.68 -0.69 0.09 0.00 0.00 178.44 178.16 2pdd s VAL 21 N -4.85 2.26 -0.39 1.22 1.01 -0.35 -4.97 120.40 114.33 2pdd s VAL 21 Ca -0.05 0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.26 2pdd s VAL 21 Cb 0.18 -3.14 0.29 0.00 0.00 0.00 0.00 36.38 33.70 2pdd s VAL 21 CO 0.65 0.04 0.64 1.67 0.00 0.00 0.00 175.10 178.10 2pdd n GLN 22 N 0.03 0.81 0.00 2.72 7.27 -1.26 -4.56 117.38 122.39 2pdd n GLN 22 Ca 0.04 -3.12 0.00 0.00 0.07 0.00 0.00 57.00 53.99 2pdd n GLN 22 Cb 0.42 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.68 2pdd n GLN 22 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pdd n GLY 23 N 1.00 1.45 0.07 1.69 0.00 -1.26 -4.89 105.19 103.26 2pdd n GLY 23 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 1.46 -2.18 2.61 1.35 -1.95 -3.46 112.91 110.74 2pdd h THR 24 Ca 0.00 -2.07 -0.14 0.00 -0.55 0.00 0.00 66.41 63.65 2pdd h THR 24 Cb 0.00 2.76 -0.29 0.00 -1.73 0.00 0.00 68.15 68.88 2pdd h THR 24 CO 0.00 0.49 -0.45 -0.83 -0.25 0.00 0.00 175.52 174.49 2pdd s GLY 25 N -4.07 -0.37 -0.78 5.82 0.00 -1.26 -5.04 107.32 101.63 2pdd s GLY 25 Ca -0.16 1.12 -0.07 0.00 0.00 0.00 0.00 44.72 45.61 2pdd s GLY 25 CO 0.57 2.52 2.75 0.58 0.00 0.00 0.00 173.10 179.52 2pdd n LYS 26 N 5.37 2.41 -0.40 2.90 2.85 -1.26 -3.24 118.16 126.79 2pdd n LYS 26 Ca -0.05 -1.43 0.00 0.00 -1.05 0.00 0.00 58.31 55.77 2pdd n LYS 26 Cb 0.50 -2.34 0.00 0.00 -0.65 0.00 0.00 35.03 32.54 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 3.35 0.00 0.01 -5.58 0.23 -1.26 -4.96 115.26 107.05 2pdd n ASN 27 Ca 0.52 -0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 2pdd n ASN 27 Cb 0.41 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.12 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 0.00 -0.30 2.08 4.83 0.00 -1.26 -0.49 105.19 110.05 2pdd n GLY 28 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.32 2.52 -2.69 1.61 5.12 -1.26 -5.00 116.66 115.65 2pdd n ARG 29 Ca -0.00 -3.29 -0.37 0.00 -1.93 0.00 0.00 57.85 52.26 2pdd n ARG 29 Cb 0.22 -2.18 -0.06 0.00 -1.16 0.00 0.00 32.46 29.28 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 -4.07 4.02 0.47 1.55 1.01 0.36 -4.25 120.40 119.49 2pdd s VAL 30 Ca 0.58 1.60 0.08 0.00 0.00 0.00 0.00 61.98 64.24 2pdd s VAL 30 Cb 0.47 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 33.02 2pdd s VAL 30 CO 0.03 0.06 0.56 -0.76 0.00 0.00 0.00 175.10 174.99 2pdd s LEU 31 N -2.33 3.35 0.04 3.92 1.02 -1.26 -5.01 118.68 118.40 2pdd s LEU 31 Ca 0.54 -0.70 -0.18 0.00 0.02 0.00 0.00 54.13 53.81 2pdd s LEU 31 Cb -0.20 -2.09 -0.20 0.00 0.02 0.00 0.00 46.19 43.73 2pdd s LEU 31 CO 0.25 -0.91 1.19 0.50 0.02 0.00 0.00 176.35 177.40 2pdd h LYS 32 N 0.64 0.51 0.00 1.70 3.64 -1.96 -2.79 116.57 118.30 2pdd h LYS 32 Ca -0.37 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 58.56 2pdd h LYS 32 Cb 1.28 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2pdd h LYS 32 CO 0.48 1.08 0.00 0.39 -2.27 0.00 0.00 179.45 179.14 2pdd n GLU 33 N -4.20 0.26 0.20 1.90 1.02 -1.26 -3.03 120.64 115.53 2pdd n GLU 33 Ca -0.09 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 2pdd n GLU 33 Cb 0.64 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.49 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2pdd h ASP 34 N 0.00 -0.46 0.47 1.62 1.82 -1.81 -3.04 116.42 115.02 2pdd h ASP 34 Ca 0.00 -0.12 -0.13 0.00 -0.39 0.00 0.00 57.03 56.39 2pdd h ASP 34 Cb 0.14 0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 2pdd h ASP 34 CO 0.00 -0.05 -0.57 0.40 -1.61 0.00 0.00 179.24 177.41 2pdd h ILE 35 N -0.96 1.40 -0.85 2.25 2.04 -1.44 -3.00 117.51 116.96 2pdd h ILE 35 Ca -0.06 -1.94 0.12 0.00 1.00 0.00 0.00 64.86 63.99 2pdd h ILE 35 Cb 0.55 2.01 -0.08 0.00 -0.74 0.00 0.00 36.82 38.56 2pdd h ILE 35 CO 0.09 0.56 0.46 0.44 0.00 0.00 0.00 178.15 179.71 2pdd h ASP 36 N 0.08 0.62 -0.10 1.72 5.19 -1.57 0.11 116.42 122.45 2pdd h ASP 36 Ca -0.00 0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.37 2pdd h ASP 36 Cb 1.03 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 2pdd h ASP 36 CO 0.08 0.31 -0.27 0.00 -3.12 0.00 0.00 179.24 176.24 2pdd h ALA 37 N 1.51 1.01 -0.14 3.45 0.00 -1.40 -2.21 119.26 121.47 2pdd h ALA 37 Ca 0.43 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pdd h ALA 37 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2pdd h ALA 37 CO -0.30 0.59 0.00 0.34 0.00 0.00 0.00 179.25 179.88 2pdd n PHE 38 N -4.10 0.00 0.10 0.00 7.35 0.36 -3.52 117.46 117.66 2pdd n PHE 38 Ca -0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.64 2pdd n PHE 38 Cb 0.43 -0.48 -0.02 0.00 0.35 0.00 0.00 39.48 39.76 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 -0.24 -9.04 -2.13 5.85 -1.62 -3.44 115.31 104.69 2pdd h LEU 39 Ca 0.00 0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.52 2pdd h LEU 39 Cb 0.00 0.06 0.12 0.00 0.37 0.00 0.00 40.66 41.21 2pdd h LEU 39 CO 0.00 -0.04 -0.15 0.00 -0.34 0.00 0.00 178.44 177.90 2pdd n ALA 40 N -2.35 -0.58 -2.90 1.25 0.00 -0.83 -2.90 120.51 112.20 2pdd n ALA 40 Ca -0.04 -1.05 -0.15 0.00 0.00 0.00 0.00 53.44 52.20 2pdd n ALA 40 Cb 0.11 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 2.42 -0.49 0.00 0.00 0.00 -1.26 -4.72 105.19 101.14 2pdd n GLY 41 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.89 -2.15 0.00 -0.02 0.00 -1.14 -5.04 105.19 95.94 2pdd n GLY 42 Ca -0.05 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32