#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 -1.69 -1.41 -1.39 0.00 -1.26 -4.78 120.51 109.98 2pdd n ALA 3 Ca 0.00 0.60 -0.39 0.00 0.00 0.00 0.00 53.44 53.65 2pdd n ALA 3 Cb 0.00 -1.56 0.02 0.00 0.00 0.00 0.00 19.45 17.92 2pdd n ALA 3 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2pdd n MET 4 N 2.19 0.40 -0.43 0.00 2.81 -1.26 -4.81 117.12 116.02 2pdd n MET 4 Ca -0.10 0.15 -0.28 0.00 -1.81 0.00 0.00 57.70 55.67 2pdd n MET 4 Cb 0.15 -1.49 0.24 0.00 -0.71 0.00 0.00 33.22 31.41 2pdd n MET 4 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2pdd n PRO 5 N 0.46 -3.20 0.00 0.03 -0.04 -1.26 -3.04 135.00 127.94 2pdd n PRO 5 Ca 0.11 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 2pdd n PRO 5 Cb 0.46 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 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 -4.15 0.00 -0.01 3.54 2.88 -1.26 -4.74 113.62 109.88 2pdd n SER 6 Ca 0.06 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.60 2pdd n SER 6 Cb 0.55 -0.36 -0.00 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 -0.29 2.46 2.07 -1.87 -3.30 116.25 115.32 2pdd h VAL 7 Ca 0.00 -0.14 -0.18 0.00 0.82 0.00 0.00 66.70 67.20 2pdd h VAL 7 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2pdd h VAL 7 CO 0.00 0.00 -0.52 -0.09 0.02 0.00 0.00 177.57 176.98 2pdd h ARG 8 N -0.14 0.85 -0.07 1.57 2.43 -1.85 -2.80 114.38 114.36 2pdd h ARG 8 Ca 0.00 -0.52 0.02 0.00 -0.81 0.00 0.00 59.98 58.67 2pdd h ARG 8 Cb 0.06 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2pdd h ARG 8 CO 0.00 1.16 0.07 0.87 -1.51 0.00 0.00 179.97 180.56 2pdd h LYS 9 N 0.66 0.00 -0.01 0.20 1.57 -1.91 -1.40 116.57 115.68 2pdd h LYS 9 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2pdd h LYS 9 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 2pdd h LYS 9 CO 0.12 0.00 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.07 2pdd h TYR 10 N 0.00 0.03 -0.95 -1.35 5.03 -1.58 -3.01 116.97 115.15 2pdd h TYR 10 Ca 0.03 -0.01 0.24 0.00 2.58 0.00 0.00 58.73 61.57 2pdd h TYR 10 Cb 0.17 -0.01 -0.13 0.00 1.55 0.00 0.00 36.73 38.32 2pdd h TYR 10 CO 0.00 0.50 0.48 0.00 -1.32 0.00 0.00 178.16 177.82 2pdd h ALA 11 N 0.53 1.61 -0.40 1.82 0.00 -1.20 0.19 119.26 121.81 2pdd h ALA 11 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2pdd h ALA 11 Cb 0.49 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2pdd h ALA 11 CO 0.00 -0.34 0.21 0.00 0.00 0.00 0.00 179.25 179.13 2pdd h ARG 12 N 0.46 0.42 -0.78 0.00 2.47 -1.36 0.72 114.38 116.31 2pdd h ARG 12 Ca 0.61 -0.02 0.13 0.00 -1.26 0.00 0.00 59.98 59.43 2pdd h ARG 12 Cb 1.18 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 29.35 2pdd h ARG 12 CO -0.52 0.27 0.51 0.93 0.56 0.00 0.00 179.97 181.73 2pdd h GLU 13 N 0.43 0.53 0.00 0.04 5.08 -0.51 -0.26 114.58 119.89 2pdd h GLU 13 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2pdd h GLU 13 Cb 0.05 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2pdd h GLU 13 CO -0.10 0.35 -1.01 1.63 -1.00 0.00 0.00 179.01 178.88 2pdd n LYS 14 N -4.50 0.42 -0.98 2.33 4.76 -0.65 -4.94 118.16 114.59 2pdd n LYS 14 Ca 0.14 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 2pdd n LYS 14 Cb 0.45 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 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 1.29 0.76 3.75 0.72 0.00 0.24 -5.00 105.19 106.95 2pdd n GLY 15 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.03 3.80 -0.62 1.61 1.01 -0.87 -4.96 120.40 117.35 2pdd s VAL 16 Ca 0.00 1.72 -0.27 0.00 0.00 0.00 0.00 61.98 63.43 2pdd s VAL 16 Cb 0.00 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.32 2pdd s VAL 16 CO 0.00 0.37 1.16 -0.62 0.00 0.00 0.00 175.10 176.01 2pdd s ASP 17 N -0.70 6.35 0.35 3.32 -1.08 -1.26 -4.55 116.67 119.10 2pdd s ASP 17 Ca 0.45 -0.14 0.14 0.00 -0.52 0.00 0.00 52.55 52.48 2pdd s ASP 17 Cb -0.29 -2.53 1.13 0.00 -1.46 0.00 0.00 42.92 39.77 2pdd s ASP 17 CO 0.36 -1.52 1.59 -0.29 0.52 0.00 0.00 175.17 175.83 2pdd h ILE 18 N 6.10 0.05 0.08 4.11 2.10 -1.94 -0.57 117.51 127.45 2pdd h ILE 18 Ca -0.26 -0.02 0.02 0.00 1.08 0.00 0.00 64.86 65.68 2pdd h ILE 18 Cb 1.06 0.00 -0.05 0.00 -1.09 0.00 0.00 36.82 36.74 2pdd h ILE 18 CO 1.19 0.01 -0.52 -0.09 -1.08 0.00 0.00 178.15 177.66 2pdd h ARG 19 N 0.05 -0.69 -0.59 2.19 9.65 -1.90 -1.06 114.38 122.03 2pdd h ARG 19 Ca 0.76 0.05 0.17 0.00 -1.10 0.00 0.00 59.98 59.86 2pdd h ARG 19 Cb 1.86 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 30.57 2pdd h ARG 19 CO -0.79 -0.46 0.48 -0.07 2.80 0.00 0.00 179.97 181.93 2pdd h LEU 20 N -0.72 0.00 -9.95 3.80 3.38 -1.51 -3.42 115.31 106.89 2pdd h LEU 20 Ca 0.01 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.44 2pdd h LEU 20 Cb 0.74 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.60 2pdd h LEU 20 CO -0.31 0.00 0.72 -0.69 0.09 0.00 0.00 178.44 178.26 2pdd s VAL 21 N -4.86 2.17 -0.29 1.22 1.01 -0.40 -4.93 120.40 114.33 2pdd s VAL 21 Ca -0.05 0.17 0.21 0.00 0.00 0.00 0.00 61.98 62.31 2pdd s VAL 21 Cb 0.19 -3.10 0.49 0.00 0.00 0.00 0.00 36.38 33.95 2pdd s VAL 21 CO 0.68 0.03 1.05 0.00 0.00 0.00 0.00 175.10 176.86 2pdd n GLN 22 N 0.24 1.55 0.00 2.72 6.02 -1.26 -4.36 117.38 122.29 2pdd n GLN 22 Ca 0.02 -3.43 0.00 0.00 -0.01 0.00 0.00 57.00 53.58 2pdd n GLN 22 Cb 0.41 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.18 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 -0.39 -2.11 0.20 1.08 0.00 -1.26 -4.50 105.19 98.21 2pdd n GLY 23 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 1.32 -0.15 2.61 1.35 -1.91 -3.46 112.91 112.68 2pdd h THR 24 Ca 0.00 -2.04 0.26 0.00 -0.55 0.00 0.00 66.41 64.08 2pdd h THR 24 Cb 0.00 2.03 -0.29 0.00 -1.73 0.00 0.00 68.15 68.16 2pdd h THR 24 CO 0.00 0.63 0.59 -0.83 -0.25 0.00 0.00 175.52 175.66 2pdd s GLY 25 N -4.20 0.37 0.00 5.82 0.00 -1.26 -5.11 107.32 102.95 2pdd s GLY 25 Ca -0.08 3.75 0.00 0.00 0.00 0.00 0.00 44.72 48.38 2pdd s GLY 25 CO 0.88 3.33 0.00 0.58 0.00 0.00 0.00 173.10 177.89 2pdd n LYS 26 N 4.35 1.41 -1.43 2.90 2.85 -1.26 -3.22 118.16 123.76 2pdd n LYS 26 Ca -0.07 0.00 0.19 0.00 -1.05 0.00 0.00 58.31 57.38 2pdd n LYS 26 Cb 0.56 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.88 2pdd n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2pdd n ASN 27 N 0.00 -8.48 0.24 -5.58 2.85 -1.26 -2.98 115.26 100.05 2pdd n ASN 27 Ca 0.00 0.73 0.05 0.00 -0.11 0.00 0.00 54.58 55.25 2pdd n ASN 27 Cb 0.00 -4.44 0.27 0.00 1.24 0.00 0.00 39.78 36.85 2pdd n ASN 27 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2pdd h GLY 28 N -1.35 0.00 -2.55 8.20 0.00 -2.02 -0.77 103.07 104.59 2pdd h GLY 28 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2pdd h GLY 28 CO 0.02 0.00 0.01 0.54 0.00 0.00 0.00 176.54 177.11 2pdd n ARG 29 N -2.24 1.01 -3.99 4.80 5.12 -1.16 -4.82 116.66 115.37 2pdd n ARG 29 Ca -0.01 -0.02 -0.25 0.00 -1.93 0.00 0.00 57.85 55.65 2pdd n ARG 29 Cb 0.61 -1.01 -0.03 0.00 -1.16 0.00 0.00 32.46 30.87 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 -0.03 5.07 0.03 1.55 1.01 -0.30 -4.19 120.40 123.55 2pdd s VAL 30 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2pdd s VAL 30 Cb 0.00 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 2pdd s VAL 30 CO 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 175.10 174.94 2pdd n LEU 31 N -0.75 0.00 0.11 3.92 -0.00 -1.26 -4.99 117.00 114.02 2pdd n LEU 31 Ca -0.08 -0.23 -0.11 0.00 -0.00 0.00 0.00 56.01 55.59 2pdd n LEU 31 Cb 0.55 0.07 -0.07 0.00 -0.00 0.00 0.00 43.42 43.97 2pdd n LEU 31 CO 0.46 -0.04 0.41 0.50 -0.00 0.00 0.00 177.39 178.73 2pdd h LYS 32 N 0.00 -0.32 0.00 1.47 3.64 -1.90 -2.96 116.57 116.50 2pdd h LYS 32 Ca -0.02 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2pdd h LYS 32 Cb 0.09 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2pdd h LYS 32 CO 0.04 0.04 0.00 -1.91 -2.27 0.00 0.00 179.45 175.35 2pdd n GLU 33 N -5.02 0.02 0.30 1.90 2.13 -1.26 -2.44 120.64 116.28 2pdd n GLU 33 Ca -0.08 0.27 -0.13 0.00 0.66 0.00 0.00 57.16 57.88 2pdd n GLU 33 Cb 0.26 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.41 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2pdd h ASP 34 N 0.00 -0.69 -0.36 4.31 1.82 -1.82 -3.06 116.42 116.63 2pdd h ASP 34 Ca 0.00 0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.56 2pdd h ASP 34 Cb 0.01 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 2pdd h ASP 34 CO 0.00 -0.29 -0.11 0.40 -1.61 0.00 0.00 179.24 177.63 2pdd h ILE 35 N -1.20 1.26 -0.91 2.25 5.03 -1.03 -2.83 117.51 120.08 2pdd h ILE 35 Ca -0.08 -1.18 0.24 0.00 -0.12 0.00 0.00 64.86 63.72 2pdd h ILE 35 Cb 0.63 1.04 -0.13 0.00 -3.03 0.00 0.00 36.82 35.32 2pdd h ILE 35 CO 0.14 0.40 0.37 -0.78 -0.68 0.00 0.00 178.15 177.61 2pdd h ASP 36 N 0.72 0.26 -0.07 1.72 1.82 -1.56 0.60 116.42 119.92 2pdd h ASP 36 Ca 0.12 0.17 -0.13 0.00 -0.39 0.00 0.00 57.03 56.81 2pdd h ASP 36 Cb 0.60 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.78 2pdd h ASP 36 CO 0.04 -0.07 -0.38 0.00 -1.61 0.00 0.00 179.24 177.22 2pdd h ALA 37 N 1.76 0.87 -0.16 -0.78 0.00 -1.39 -2.32 119.26 117.24 2pdd h ALA 37 Ca 0.59 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2pdd h ALA 37 Cb 1.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2pdd h ALA 37 CO -0.58 0.64 -0.14 0.35 0.00 0.00 0.00 179.25 179.51 2pdd h PHE 38 N 0.48 -0.44 0.00 0.00 3.57 0.29 -1.59 116.94 119.25 2pdd h PHE 38 Ca 0.05 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 2pdd h PHE 38 Cb 0.87 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2pdd h PHE 38 CO 0.04 -0.11 -0.36 1.25 -2.23 0.00 0.00 178.31 176.89 2pdd h LEU 39 N -0.06 0.00 -1.40 0.59 5.85 -1.63 -3.15 115.31 115.51 2pdd h LEU 39 Ca 0.03 0.00 0.23 0.00 0.84 0.00 0.00 57.88 58.98 2pdd h LEU 39 Cb 0.13 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2pdd h LEU 39 CO -0.18 0.36 0.93 0.00 -0.34 0.00 0.00 178.44 179.21 2pdd h ALA 40 N 1.64 2.64 -3.00 1.25 0.00 -0.69 -2.85 119.26 118.25 2pdd h ALA 40 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pdd h ALA 40 Cb 0.90 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2pdd h ALA 40 CO 0.05 -1.34 0.00 0.41 0.00 0.00 0.00 179.25 178.37 2pdd n GLY 41 N -1.63 -2.73 3.56 0.00 0.00 -1.19 -4.34 105.19 98.87 2pdd n GLY 41 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.01 0.47 0.00 -0.02 0.00 -1.08 -5.19 107.32 101.50 2pdd s GLY 42 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2pdd s GLY 42 CO 0.00 3.24 0.00 0.00 0.00 0.00 0.00 173.10 176.34