#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 -1.79 0.25 -1.28 0.00 -1.26 -4.87 120.51 111.56 2pdd n ALA 3 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 53.44 53.23 2pdd n ALA 3 Cb 0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 19.45 17.61 2pdd n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pdd n MET 4 N -4.43 2.25 0.44 0.00 0.00 -1.26 -2.27 117.12 111.85 2pdd n MET 4 Ca -0.20 -0.04 -0.18 0.00 0.00 0.00 0.00 57.70 57.28 2pdd n MET 4 Cb 0.63 -1.08 -0.09 0.00 0.00 0.00 0.00 33.22 32.68 2pdd n MET 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 2pdd h PRO 5 N 0.00 -1.08 0.00 3.17 0.11 -2.03 -3.43 132.00 128.74 2pdd h PRO 5 Ca 0.00 0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 2pdd h PRO 5 Cb 0.33 0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.63 2pdd h PRO 5 CO 0.00 -0.71 -0.10 -1.13 -0.21 0.00 0.00 178.00 175.85 2pdd n SER 6 N -5.54 -0.35 -0.01 -2.05 3.41 -1.26 -4.96 113.62 102.87 2pdd n SER 6 Ca -0.14 -1.24 -0.00 0.00 -0.26 0.00 0.00 58.87 57.22 2pdd n SER 6 Cb 0.45 0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2pdd n SER 6 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2pdd h VAL 7 N 4.42 0.00 -0.50 -3.33 2.07 -1.83 -3.30 116.25 113.78 2pdd h VAL 7 Ca -0.20 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2pdd h VAL 7 Cb 1.05 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2pdd h VAL 7 CO -0.10 0.00 0.17 -0.09 0.02 0.00 0.00 177.57 177.57 2pdd h ARG 8 N -0.11 0.78 -0.93 1.57 2.43 -1.80 -2.56 114.38 113.75 2pdd h ARG 8 Ca 0.00 -0.16 0.17 0.00 -0.81 0.00 0.00 59.98 59.18 2pdd h ARG 8 Cb 0.04 -0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.39 2pdd h ARG 8 CO 0.00 0.71 0.60 0.87 -1.51 0.00 0.00 179.97 180.64 2pdd h LYS 9 N 0.68 0.66 -0.09 0.20 1.57 -1.81 0.12 116.57 117.90 2pdd h LYS 9 Ca 0.16 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2pdd h LYS 9 Cb 0.25 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2pdd h LYS 9 CO -0.01 0.44 0.03 -0.92 -0.57 0.00 0.00 179.45 178.42 2pdd h TYR 10 N 0.68 0.14 -0.88 -1.35 5.03 -1.54 -2.58 116.97 116.47 2pdd h TYR 10 Ca 0.49 -0.01 0.20 0.00 2.58 0.00 0.00 58.73 61.98 2pdd h TYR 10 Cb 0.84 -0.04 -0.11 0.00 1.55 0.00 0.00 36.73 38.96 2pdd h TYR 10 CO -0.00 0.26 0.41 0.00 -1.32 0.00 0.00 178.16 177.50 2pdd h ALA 11 N 0.87 1.38 -0.51 1.82 0.00 -0.80 0.72 119.26 122.73 2pdd h ALA 11 Ca 0.03 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2pdd h ALA 11 Cb 0.18 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2pdd h ALA 11 CO -0.00 -0.26 0.30 0.00 0.00 0.00 0.00 179.25 179.29 2pdd h ARG 12 N 0.47 0.59 -0.65 0.00 2.47 -0.97 0.86 114.38 117.15 2pdd h ARG 12 Ca 0.53 -0.04 0.10 0.00 -1.26 0.00 0.00 59.98 59.31 2pdd h ARG 12 Cb 0.93 -0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 29.04 2pdd h ARG 12 CO -0.47 0.39 0.28 0.93 0.56 0.00 0.00 179.97 181.65 2pdd h GLU 13 N 0.60 0.46 0.00 0.04 4.39 -0.59 0.40 114.58 119.89 2pdd h GLU 13 Ca 0.21 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2pdd h GLU 13 Cb 0.03 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2pdd h GLU 13 CO -0.10 0.31 -0.18 0.87 -1.16 0.00 0.00 179.01 178.75 2pdd h LYS 14 N 0.48 0.00 0.00 2.33 1.79 -1.04 -3.47 116.57 116.66 2pdd h LYS 14 Ca 0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 2pdd h LYS 14 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2pdd h LYS 14 CO -0.30 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.48 2pdd n GLY 15 N 1.25 0.89 3.70 3.86 0.00 0.29 -4.99 105.19 110.18 2pdd n GLY 15 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.52 3.61 -0.49 1.61 1.01 -0.66 -4.93 120.40 117.03 2pdd s VAL 16 Ca 0.00 1.08 -0.28 0.00 0.00 0.00 0.00 61.98 62.78 2pdd s VAL 16 Cb 0.00 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2pdd s VAL 16 CO 0.00 0.04 1.45 -0.62 0.00 0.00 0.00 175.10 175.97 2pdd s ASP 17 N 1.52 6.16 0.34 3.32 2.15 -1.26 -4.51 116.67 124.39 2pdd s ASP 17 Ca 0.63 0.57 0.14 0.00 0.43 0.00 0.00 52.55 54.33 2pdd s ASP 17 Cb -0.33 -2.54 1.10 0.00 -0.30 0.00 0.00 42.92 40.85 2pdd s ASP 17 CO 0.28 -1.62 1.62 -0.29 -0.17 0.00 0.00 175.17 174.99 2pdd h ILE 18 N 6.47 0.16 -0.39 4.11 2.10 -1.92 0.42 117.51 128.45 2pdd h ILE 18 Ca -0.27 -0.05 0.08 0.00 1.08 0.00 0.00 64.86 65.70 2pdd h ILE 18 Cb 1.11 -0.01 -0.09 0.00 -1.09 0.00 0.00 36.82 36.74 2pdd h ILE 18 CO 1.13 0.03 -0.26 -0.09 -1.08 0.00 0.00 178.15 177.88 2pdd h ARG 19 N 0.15 -0.19 -0.89 2.19 2.43 -1.92 -1.59 114.38 114.56 2pdd h ARG 19 Ca 0.74 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.98 2pdd h ARG 19 Cb 1.77 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 31.30 2pdd h ARG 19 CO -0.71 -0.13 0.56 -0.07 -1.51 0.00 0.00 179.97 178.12 2pdd h LEU 20 N -0.19 0.90 -9.41 3.80 3.38 -1.31 -3.43 115.31 109.04 2pdd h LEU 20 Ca 0.19 0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.56 2pdd h LEU 20 Cb 0.49 -0.18 0.12 0.00 0.09 0.00 0.00 40.66 41.18 2pdd h LEU 20 CO -0.51 0.58 -0.04 0.52 0.09 0.00 0.00 178.44 179.09 2pdd n VAL 21 N -4.58 2.02 -2.91 1.22 0.31 -0.60 -4.93 118.33 108.86 2pdd n VAL 21 Ca 0.13 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.83 2pdd n VAL 21 Cb 0.16 -0.82 0.01 0.00 -0.91 0.00 0.00 33.84 32.28 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 0.65 1.06 0.00 5.55 -0.06 -1.26 -4.57 117.38 118.75 2pdd n GLN 22 Ca 0.11 -3.20 0.00 0.00 -2.00 0.00 0.00 57.00 51.91 2pdd n GLN 22 Cb 0.33 -1.41 0.00 0.00 -4.06 0.00 0.00 30.24 25.11 2pdd n GLN 22 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2pdd n GLY 23 N 0.10 0.10 0.13 1.69 0.00 -1.26 -4.81 105.19 101.13 2pdd n GLY 23 Ca 0.16 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 1.45 -1.92 2.61 1.35 -1.96 -3.45 112.91 110.99 2pdd h THR 24 Ca 0.00 -2.37 -0.00 0.00 -0.55 0.00 0.00 66.41 63.48 2pdd h THR 24 Cb 0.00 2.93 -0.24 0.00 -1.73 0.00 0.00 68.15 69.11 2pdd h THR 24 CO 0.00 0.69 -0.28 -0.83 -0.25 0.00 0.00 175.52 174.84 2pdd s GLY 25 N -4.31 -0.63 0.00 5.82 0.00 -1.25 -5.02 107.32 101.92 2pdd s GLY 25 Ca -0.13 1.78 -0.03 0.00 0.00 0.00 0.00 44.72 46.34 2pdd s GLY 25 CO 0.84 2.88 2.50 0.58 0.00 0.00 0.00 173.10 179.90 2pdd n LYS 26 N 5.42 1.31 0.00 2.90 2.85 -1.26 -2.77 118.16 126.61 2pdd n LYS 26 Ca -0.07 -0.48 0.00 0.00 -1.05 0.00 0.00 58.31 56.70 2pdd n LYS 26 Cb 0.50 -1.57 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 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 2.17 0.00 0.00 -5.58 6.94 -1.26 -4.94 115.26 112.59 2pdd n ASN 27 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 2pdd n ASN 27 Cb 0.62 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 2pdd n ASN 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pdd n GLY 28 N 0.00 -0.30 2.13 4.83 0.00 -1.26 -0.37 105.19 110.22 2pdd n GLY 28 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.29 2.88 -2.70 1.61 5.12 -1.26 -4.67 116.66 116.35 2pdd n ARG 29 Ca 0.00 -3.05 -0.42 0.00 -1.93 0.00 0.00 57.85 52.45 2pdd n ARG 29 Cb 0.15 -2.20 -0.03 0.00 -1.16 0.00 0.00 32.46 29.23 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 -3.17 4.83 0.57 1.55 1.01 0.50 -3.92 120.40 121.77 2pdd s VAL 30 Ca 0.56 2.05 0.03 0.00 0.00 0.00 0.00 61.98 64.62 2pdd s VAL 30 Cb 0.46 -4.32 0.06 0.00 0.00 0.00 0.00 36.38 32.59 2pdd s VAL 30 CO 0.12 0.10 0.79 -0.76 0.00 0.00 0.00 175.10 175.36 2pdd s LEU 31 N 1.38 3.24 0.18 3.92 1.02 -1.26 -4.97 118.68 122.20 2pdd s LEU 31 Ca 0.51 -0.29 0.00 0.00 0.02 0.00 0.00 54.13 54.37 2pdd s LEU 31 Cb -0.20 -2.43 0.07 0.00 0.02 0.00 0.00 46.19 43.65 2pdd s LEU 31 CO 0.24 -1.28 1.44 0.50 0.02 0.00 0.00 176.35 177.27 2pdd h LYS 32 N 0.04 0.32 0.00 1.70 3.64 -1.96 -2.45 116.57 117.87 2pdd h LYS 32 Ca -0.38 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 2pdd h LYS 32 Cb 1.29 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2pdd h LYS 32 CO 0.46 0.94 0.00 0.39 -2.27 0.00 0.00 179.45 178.97 2pdd n GLU 33 N -3.80 0.30 0.26 1.90 1.02 -1.26 -2.88 120.64 116.19 2pdd n GLU 33 Ca -0.04 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 2pdd n GLU 33 Cb 0.72 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.60 0.23 1.62 1.82 -1.77 -2.95 116.42 114.78 2pdd h ASP 34 Ca 0.00 -0.05 -0.20 0.00 -0.39 0.00 0.00 57.03 56.39 2pdd h ASP 34 Cb 0.30 0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.46 2pdd h ASP 34 CO 0.00 -0.21 -0.79 0.40 -1.61 0.00 0.00 179.24 177.03 2pdd h ILE 35 N -1.07 1.37 -0.92 2.25 2.04 -1.57 -3.04 117.51 116.56 2pdd h ILE 35 Ca -0.07 -2.20 0.19 0.00 1.00 0.00 0.00 64.86 63.78 2pdd h ILE 35 Cb 0.61 2.17 -0.11 0.00 -0.74 0.00 0.00 36.82 38.75 2pdd h ILE 35 CO 0.12 0.66 0.49 -0.78 0.00 0.00 0.00 178.15 178.64 2pdd h ASP 36 N 0.29 0.56 0.14 1.72 1.82 -1.60 0.27 116.42 119.61 2pdd h ASP 36 Ca -0.04 0.12 -0.15 0.00 -0.39 0.00 0.00 57.03 56.56 2pdd h ASP 36 Cb 1.38 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.42 2pdd h ASP 36 CO 0.14 0.15 -0.56 0.00 -1.61 0.00 0.00 179.24 177.36 2pdd h ALA 37 N 1.65 0.76 -0.07 -0.78 0.00 -1.47 -2.27 119.26 117.07 2pdd h ALA 37 Ca 0.54 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2pdd h ALA 37 Cb 0.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2pdd h ALA 37 CO -0.43 0.69 -0.05 0.35 0.00 0.00 0.00 179.25 179.81 2pdd h PHE 38 N 0.34 -0.17 0.00 0.00 3.57 -0.35 -0.03 116.94 120.29 2pdd h PHE 38 Ca 0.00 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2pdd h PHE 38 Cb 1.08 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2pdd h PHE 38 CO 0.04 -0.04 -0.19 1.25 -2.23 0.00 0.00 178.31 177.14 2pdd h LEU 39 N -0.02 0.00 0.00 0.59 5.85 -1.65 -3.48 115.31 116.60 2pdd h LEU 39 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2pdd h LEU 39 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2pdd h LEU 39 CO -0.07 0.19 0.00 0.00 -0.34 0.00 0.00 178.44 178.21 2pdd n ALA 40 N -2.20 0.00 -1.82 1.25 0.00 -0.03 -4.97 120.51 112.74 2pdd n ALA 40 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pdd n ALA 40 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -3.23 3.55 0.00 0.00 -1.26 -4.75 105.19 99.50 2pdd n GLY 41 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 0.19 -0.22 0.00 -0.02 0.00 -1.26 -5.17 105.19 98.71 2pdd n GLY 42 Ca -0.00 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.41 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32