#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 -2.89 -1.82 -1.28 0.00 -1.26 -4.75 120.51 108.52 2pdd n ALA 3 Ca 0.00 0.26 -0.32 0.00 0.00 0.00 0.00 53.44 53.38 2pdd n ALA 3 Cb 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.01 3.68 -0.71 0.00 -1.94 -1.26 -4.90 119.30 112.17 2pdd s MET 4 Ca 0.00 0.89 -0.17 0.00 -1.71 0.00 0.00 55.69 54.70 2pdd s MET 4 Cb 0.00 -2.09 -0.14 0.00 2.01 0.00 0.00 34.83 34.61 2pdd s MET 4 CO 0.00 -0.49 1.90 -0.35 -0.01 0.00 0.00 175.02 176.06 2pdd n PRO 5 N -2.20 1.46 0.00 2.03 -0.04 -1.26 -2.50 135.00 132.48 2pdd n PRO 5 Ca 0.07 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 2pdd n PRO 5 Cb 0.54 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 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 6.53 0.00 0.00 3.54 2.88 -1.26 -4.92 113.62 120.39 2pdd n SER 6 Ca 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2pdd n SER 6 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2pdd n SER 6 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2pdd n VAL 7 N 0.00 0.00 0.25 2.46 0.31 -1.04 -3.59 118.33 116.71 2pdd n VAL 7 Ca 0.00 0.44 0.13 0.00 -0.01 0.00 0.00 64.34 64.89 2pdd n VAL 7 Cb 0.00 -1.36 0.77 0.00 -0.91 0.00 0.00 33.84 32.33 2pdd n VAL 7 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2pdd h ARG 8 N 0.00 0.00 -0.49 5.55 2.43 -1.89 -1.28 114.38 118.70 2pdd h ARG 8 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pdd h ARG 8 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2pdd h ARG 8 CO 0.00 0.00 0.29 0.87 -1.51 0.00 0.00 179.97 179.62 2pdd h LYS 9 N 0.00 0.67 -0.32 0.20 1.79 -1.87 -1.65 116.57 115.39 2pdd h LYS 9 Ca 0.03 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.48 2pdd h LYS 9 Cb 0.13 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.60 2pdd h LYS 9 CO -0.00 0.49 0.07 -0.92 -1.08 0.00 0.00 179.45 178.01 2pdd h TYR 10 N 0.65 0.12 -0.62 -1.35 3.20 -1.29 -0.61 116.97 117.07 2pdd h TYR 10 Ca 0.18 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.17 2pdd h TYR 10 Cb 0.00 -0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.19 2pdd h TYR 10 CO -0.03 0.03 0.20 0.00 -1.64 0.00 0.00 178.16 176.72 2pdd h ALA 11 N 1.24 0.79 -0.64 1.82 0.00 -1.32 -0.69 119.26 120.46 2pdd h ALA 11 Ca 0.15 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2pdd h ALA 11 Cb 0.16 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2pdd h ALA 11 CO -0.19 -0.23 0.41 0.00 0.00 0.00 0.00 179.25 179.23 2pdd h ARG 12 N 0.36 0.86 0.31 0.00 2.47 -0.37 0.23 114.38 118.23 2pdd h ARG 12 Ca 0.32 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.97 2pdd h ARG 12 Cb 0.43 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 2pdd h ARG 12 CO -0.35 0.59 -0.27 0.93 0.56 0.00 0.00 179.97 181.44 2pdd h GLU 13 N 0.87 -0.57 0.00 0.04 4.39 0.31 -3.33 114.58 116.28 2pdd h GLU 13 Ca 0.23 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2pdd h GLU 13 Cb -0.06 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2pdd h GLU 13 CO -0.05 -0.38 0.00 1.63 -1.16 0.00 0.00 179.01 179.05 2pdd n LYS 14 N -5.39 0.00 0.00 2.33 4.76 -0.65 -5.02 118.16 114.18 2pdd n LYS 14 Ca -0.09 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2pdd n LYS 14 Cb 0.30 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 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 0.71 -0.02 2.95 0.72 0.00 0.77 -5.10 105.19 105.23 2pdd n GLY 15 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.07 -0.49 1.61 1.01 -1.09 -5.05 120.40 116.32 2pdd s VAL 16 Ca 0.00 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.89 2pdd s VAL 16 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.09 2pdd s VAL 16 CO 0.00 0.08 1.54 -0.62 0.00 0.00 0.00 175.10 176.10 2pdd s ASP 17 N 1.31 6.02 0.31 3.32 -1.08 -1.26 -4.67 116.67 120.63 2pdd s ASP 17 Ca -0.08 0.62 0.08 0.00 -0.52 0.00 0.00 52.55 52.66 2pdd s ASP 17 Cb -0.11 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.71 2pdd s ASP 17 CO -0.07 -1.73 1.66 -0.29 0.52 0.00 0.00 175.17 175.26 2pdd h ILE 18 N 6.55 0.31 -0.40 4.11 2.10 -1.96 -1.51 117.51 126.71 2pdd h ILE 18 Ca -0.28 -0.09 0.06 0.00 1.08 0.00 0.00 64.86 65.62 2pdd h ILE 18 Cb 1.12 0.01 -0.09 0.00 -1.09 0.00 0.00 36.82 36.78 2pdd h ILE 18 CO 1.13 0.05 -0.51 0.03 -1.08 0.00 0.00 178.15 177.77 2pdd h ARG 19 N 0.27 -0.37 -0.77 2.19 3.08 -1.92 -0.42 114.38 116.44 2pdd h ARG 19 Ca 0.64 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.83 2pdd h ARG 19 Cb 1.39 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 31.47 2pdd h ARG 19 CO -0.63 -0.24 0.51 -0.07 -1.07 0.00 0.00 179.97 178.46 2pdd h LEU 20 N -0.38 0.56 -9.66 3.04 3.38 -1.68 -3.42 115.31 107.15 2pdd h LEU 20 Ca 0.10 0.02 -0.58 0.00 0.09 0.00 0.00 57.88 57.51 2pdd h LEU 20 Cb 0.60 -0.09 0.11 0.00 0.09 0.00 0.00 40.66 41.36 2pdd h LEU 20 CO -0.59 0.32 0.38 0.52 0.09 0.00 0.00 178.44 179.16 2pdd n VAL 21 N -4.50 2.02 -3.07 1.22 0.31 -0.17 -4.95 118.33 109.18 2pdd n VAL 21 Ca 0.14 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.78 2pdd n VAL 21 Cb 0.40 -1.38 -0.03 0.00 -0.91 0.00 0.00 33.84 31.92 2pdd n VAL 21 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2pdd n GLN 22 N 0.59 0.80 0.00 5.55 7.27 -1.26 -4.59 117.38 125.74 2pdd n GLN 22 Ca 0.06 -2.88 0.00 0.00 0.07 0.00 0.00 57.00 54.25 2pdd n GLN 22 Cb 0.35 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 31.65 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 1.14 1.84 0.09 1.69 0.00 -1.26 -4.83 105.19 103.87 2pdd n GLY 23 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 1.61 -1.81 2.61 1.35 -1.94 -3.46 112.91 111.28 2pdd h THR 24 Ca 0.00 -2.22 0.03 0.00 -0.55 0.00 0.00 66.41 63.66 2pdd h THR 24 Cb 0.00 3.07 -0.23 0.00 -1.73 0.00 0.00 68.15 69.26 2pdd h THR 24 CO 0.00 0.61 -0.25 -0.83 -0.25 0.00 0.00 175.52 174.80 2pdd s GLY 25 N -4.14 -0.70 -0.18 5.82 0.00 -1.26 -5.03 107.32 101.82 2pdd s GLY 25 Ca -0.16 1.91 -0.05 0.00 0.00 0.00 0.00 44.72 46.42 2pdd s GLY 25 CO 0.75 2.99 2.82 0.58 0.00 0.00 0.00 173.10 180.24 2pdd n LYS 26 N 5.43 1.71 -0.21 2.90 2.85 -1.26 -3.31 118.16 126.25 2pdd n LYS 26 Ca -0.07 -0.91 0.00 0.00 -1.05 0.00 0.00 58.31 56.28 2pdd n LYS 26 Cb 0.50 -1.99 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 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 2.81 0.00 0.03 -5.58 0.23 -1.26 -4.96 115.26 106.53 2pdd n ASN 27 Ca 0.37 -0.13 0.01 0.00 -0.53 0.00 0.00 54.58 54.29 2pdd n ASN 27 Cb 0.62 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.37 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 -0.26 2.17 4.83 0.00 -1.26 -0.66 105.19 110.01 2pdd n GLY 28 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.35 2.85 -2.92 1.61 5.12 -1.26 -4.89 116.66 115.83 2pdd n ARG 29 Ca -0.00 -3.50 -0.36 0.00 -1.93 0.00 0.00 57.85 52.06 2pdd n ARG 29 Cb 0.32 -2.25 -0.06 0.00 -1.16 0.00 0.00 32.46 29.30 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 -4.57 4.39 0.49 1.55 1.01 0.16 -4.10 120.40 119.32 2pdd s VAL 30 Ca 0.60 1.54 0.07 0.00 0.00 0.00 0.00 61.98 64.18 2pdd s VAL 30 Cb 0.48 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 33.00 2pdd s VAL 30 CO 0.01 0.07 0.46 -0.76 0.00 0.00 0.00 175.10 174.88 2pdd s LEU 31 N -2.25 3.10 0.14 3.92 1.02 -1.26 -5.01 118.68 118.33 2pdd s LEU 31 Ca 0.50 -0.94 -0.01 0.00 0.02 0.00 0.00 54.13 53.69 2pdd s LEU 31 Cb -0.16 -1.68 -0.09 0.00 0.02 0.00 0.00 46.19 44.29 2pdd s LEU 31 CO 0.21 -0.93 1.31 0.50 0.02 0.00 0.00 176.35 177.46 2pdd h LYS 32 N 0.79 0.29 0.00 1.70 3.64 -1.96 -2.80 116.57 118.23 2pdd h LYS 32 Ca -0.38 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 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 0.55 1.06 0.00 0.39 -2.27 0.00 0.00 179.45 179.17 2pdd n GLU 33 N -3.67 0.07 0.01 1.90 -0.58 -1.26 -2.92 120.64 114.18 2pdd n GLU 33 Ca -0.06 0.07 -0.12 0.00 -0.42 0.00 0.00 57.16 56.63 2pdd n GLU 33 Cb 0.85 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 30.15 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 0.05 0.65 1.62 1.82 -1.79 -2.28 116.42 116.48 2pdd h ASP 34 Ca 0.00 -0.14 -0.24 0.00 -0.39 0.00 0.00 57.03 56.27 2pdd h ASP 34 Cb 0.39 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 2pdd h ASP 34 CO 0.00 0.17 -1.06 0.40 -1.61 0.00 0.00 179.24 177.14 2pdd h ILE 35 N -0.08 1.53 -0.89 2.25 2.04 -1.43 -3.12 117.51 117.80 2pdd h ILE 35 Ca 0.01 -2.94 0.15 0.00 1.00 0.00 0.00 64.86 63.09 2pdd h ILE 35 Cb 0.14 2.74 -0.10 0.00 -0.74 0.00 0.00 36.82 38.86 2pdd h ILE 35 CO -0.00 0.85 0.49 -0.78 0.00 0.00 0.00 178.15 178.71 2pdd h ASP 36 N 0.09 0.62 -0.03 1.72 3.58 -1.41 0.14 116.42 121.13 2pdd h ASP 36 Ca -0.08 0.09 -0.14 0.00 0.42 0.00 0.00 57.03 57.32 2pdd h ASP 36 Cb 1.76 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.78 2pdd h ASP 36 CO 0.17 0.26 -0.42 0.00 -2.88 0.00 0.00 179.24 176.37 2pdd h ALA 37 N 1.57 0.84 -0.07 -0.78 0.00 -1.42 -2.58 119.26 116.82 2pdd h ALA 37 Ca 0.49 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pdd h ALA 37 Cb 0.68 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2pdd h ALA 37 CO -0.36 0.65 -0.05 0.35 0.00 0.00 0.00 179.25 179.84 2pdd h PHE 38 N 0.46 -0.17 -0.33 0.00 3.57 -0.65 -2.56 116.94 117.26 2pdd h PHE 38 Ca 0.04 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.40 2pdd h PHE 38 Cb 0.92 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2pdd h PHE 38 CO 0.04 -0.04 -0.38 1.25 -2.23 0.00 0.00 178.31 176.95 2pdd h LEU 39 N -0.02 0.83 -0.41 0.59 5.85 -1.64 0.73 115.31 121.24 2pdd h LEU 39 Ca 0.01 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.40 2pdd h LEU 39 Cb 0.05 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2pdd h LEU 39 CO -0.07 1.11 0.94 0.00 -0.34 0.00 0.00 178.44 180.09 2pdd h ALA 40 N 0.93 2.06 0.00 1.25 0.00 -1.04 -3.37 119.26 119.08 2pdd h ALA 40 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pdd h ALA 40 Cb 0.93 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2pdd h ALA 40 CO 0.09 -1.02 0.00 0.41 0.00 0.00 0.00 179.25 178.73 2pdd n GLY 41 N -1.50 -1.62 3.55 0.00 0.00 -1.15 -5.05 105.19 99.43 2pdd n GLY 41 Ca 0.03 0.36 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 2pdd n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pdd s GLY 42 N -1.85 -0.47 0.00 -0.02 0.00 0.24 -5.08 107.32 100.14 2pdd s GLY 42 Ca 0.00 -0.18 0.31 0.00 0.00 0.00 0.00 44.72 44.86 2pdd s GLY 42 CO 0.00 4.11 2.12 0.00 0.00 0.00 0.00 173.10 179.33