#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 -2.24 -0.92 -1.39 0.00 -1.26 -4.84 120.51 109.85 2pdd n ALA 3 Ca 0.00 -0.37 -0.35 0.00 0.00 0.00 0.00 53.44 52.72 2pdd n ALA 3 Cb 0.00 -2.03 0.07 0.00 0.00 0.00 0.00 19.45 17.49 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 -4.56 -0.14 -0.05 0.00 2.81 -1.26 -4.61 117.12 109.31 2pdd n MET 4 Ca -0.23 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.63 2pdd n MET 4 Cb 0.65 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 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 0.94 0.28 0.00 0.03 -0.04 -1.26 -1.78 135.00 133.18 2pdd n PRO 5 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2pdd n PRO 5 Cb 0.56 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 1.22 0.01 -0.03 3.54 2.88 -1.26 -4.72 113.62 115.26 2pdd n SER 6 Ca 0.00 -0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2pdd n SER 6 Cb 0.14 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.34 2.46 2.07 -1.62 -3.00 116.25 115.82 2pdd h VAL 7 Ca 0.00 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2pdd h VAL 7 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 2pdd h VAL 7 CO 0.00 0.00 0.02 -0.09 0.02 0.00 0.00 177.57 177.52 2pdd h ARG 8 N -0.55 0.52 -0.84 1.57 2.43 -1.84 -2.33 114.38 113.35 2pdd h ARG 8 Ca 0.00 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2pdd h ARG 8 Cb 0.01 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 2pdd h ARG 8 CO 0.00 0.53 0.55 0.87 -1.51 0.00 0.00 179.97 180.41 2pdd h LYS 9 N 0.50 1.11 -0.46 0.20 1.79 -1.85 -1.86 116.57 116.01 2pdd h LYS 9 Ca 0.11 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.55 2pdd h LYS 9 Cb 0.29 -0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 30.65 2pdd h LYS 9 CO 0.01 0.74 0.22 -0.92 -1.08 0.00 0.00 179.45 178.41 2pdd h TYR 10 N 1.14 0.40 -0.65 -1.35 3.20 -1.27 -1.46 116.97 116.97 2pdd h TYR 10 Ca 0.31 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.32 2pdd h TYR 10 Cb -0.12 -0.11 -0.09 0.00 1.54 0.00 0.00 36.73 37.95 2pdd h TYR 10 CO -0.01 0.19 0.19 0.00 -1.64 0.00 0.00 178.16 176.89 2pdd h ALA 11 N 1.25 0.83 -0.42 1.82 0.00 -1.20 -0.76 119.26 120.78 2pdd h ALA 11 Ca 0.20 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.25 2pdd h ALA 11 Cb 0.12 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2pdd h ALA 11 CO -0.15 -0.27 0.25 0.00 0.00 0.00 0.00 179.25 179.08 2pdd h ARG 12 N 0.32 0.49 -0.98 0.00 3.08 -0.78 0.36 114.38 116.88 2pdd h ARG 12 Ca 0.35 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.49 2pdd h ARG 12 Cb 0.52 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.38 2pdd h ARG 12 CO -0.40 0.33 0.62 0.93 -1.07 0.00 0.00 179.97 180.37 2pdd h GLU 13 N 0.51 0.90 -0.01 0.04 5.08 -0.38 0.21 114.58 120.94 2pdd h GLU 13 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2pdd h GLU 13 Cb -0.00 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.05 2pdd h GLU 13 CO -0.07 0.60 -0.18 1.63 -1.00 0.00 0.00 179.01 179.99 2pdd n LYS 14 N -4.60 1.01 -0.94 2.33 4.76 -0.75 -4.90 118.16 115.07 2pdd n LYS 14 Ca 0.18 -0.57 0.00 0.00 -2.87 0.00 0.00 58.31 55.06 2pdd n LYS 14 Cb 0.37 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 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 0.40 3.69 0.72 0.00 0.11 -4.96 105.19 106.43 2pdd n GLY 15 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.98 4.57 -0.45 1.61 1.01 0.06 -4.94 120.40 120.27 2pdd s VAL 16 Ca 0.00 1.86 -0.29 0.00 0.00 0.00 0.00 61.98 63.55 2pdd s VAL 16 Cb 0.00 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.21 2pdd s VAL 16 CO 0.00 0.00 1.21 -0.62 0.00 0.00 0.00 175.10 175.70 2pdd s ASP 17 N 1.25 6.56 0.35 3.32 -1.08 -1.26 -4.31 116.67 121.49 2pdd s ASP 17 Ca 0.51 0.59 0.17 0.00 -0.52 0.00 0.00 52.55 53.30 2pdd s ASP 17 Cb -0.21 -2.55 1.17 0.00 -1.46 0.00 0.00 42.92 39.88 2pdd s ASP 17 CO 0.20 -1.29 1.64 -0.29 0.52 0.00 0.00 175.17 175.94 2pdd h ILE 18 N 6.28 0.20 0.24 4.11 2.10 -1.93 -0.75 117.51 127.77 2pdd h ILE 18 Ca -0.24 -0.08 0.01 0.00 1.08 0.00 0.00 64.86 65.63 2pdd h ILE 18 Cb 1.07 -0.04 -0.04 0.00 -1.09 0.00 0.00 36.82 36.73 2pdd h ILE 18 CO 1.11 0.04 -0.50 0.03 -1.08 0.00 0.00 178.15 177.75 2pdd h ARG 19 N 0.22 -0.79 -0.38 2.19 3.08 -1.90 -1.33 114.38 115.48 2pdd h ARG 19 Ca 0.77 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.99 2pdd h ARG 19 Cb 1.86 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 32.07 2pdd h ARG 19 CO -0.66 -0.53 0.48 -0.07 -1.07 0.00 0.00 179.97 178.12 2pdd h LEU 20 N -0.82 0.00 -9.90 3.04 3.38 -1.54 -3.42 115.31 106.06 2pdd h LEU 20 Ca -0.02 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.42 2pdd h LEU 20 Cb 0.79 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.62 2pdd h LEU 20 CO -0.21 0.00 0.72 -0.69 0.09 0.00 0.00 178.44 178.35 2pdd s VAL 21 N -4.52 2.38 -0.47 1.22 1.01 -0.50 -4.96 120.40 114.55 2pdd s VAL 21 Ca -0.04 0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.40 2pdd s VAL 21 Cb 0.14 -3.24 0.30 0.00 0.00 0.00 0.00 36.38 33.58 2pdd s VAL 21 CO 0.50 0.09 0.73 1.67 0.00 0.00 0.00 175.10 178.08 2pdd n GLN 22 N 0.78 1.69 0.00 2.72 -0.06 -1.26 -4.60 117.38 116.65 2pdd n GLN 22 Ca 0.01 -3.91 0.00 0.00 -2.00 0.00 0.00 57.00 51.10 2pdd n GLN 22 Cb 0.40 -1.79 0.00 0.00 -4.06 0.00 0.00 30.24 24.79 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 0.57 1.06 0.11 1.69 0.00 -1.26 -4.93 105.19 102.43 2pdd n GLY 23 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 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 1.36 -2.19 2.61 1.35 -1.94 -3.44 112.91 110.66 2pdd h THR 24 Ca 0.00 -2.47 -0.30 0.00 -0.55 0.00 0.00 66.41 63.10 2pdd h THR 24 Cb 0.00 3.02 -0.33 0.00 -1.73 0.00 0.00 68.15 69.11 2pdd h THR 24 CO 0.00 0.69 -0.61 -0.83 -0.25 0.00 0.00 175.52 174.52 2pdd s GLY 25 N -4.60 -0.16 -1.33 5.82 0.00 -1.26 -5.03 107.32 100.76 2pdd s GLY 25 Ca -0.17 0.01 -0.09 0.00 0.00 0.00 0.00 44.72 44.48 2pdd s GLY 25 CO 0.79 2.55 2.59 0.58 0.00 0.00 0.00 173.10 179.61 2pdd n LYS 26 N 5.32 3.00 0.00 2.90 2.85 -1.26 -2.82 118.16 128.15 2pdd n LYS 26 Ca -0.03 -1.90 0.00 0.00 -1.05 0.00 0.00 58.31 55.33 2pdd n LYS 26 Cb 0.48 -2.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.19 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 3.95 0.00 0.00 -5.58 6.94 -1.26 -4.95 115.26 114.35 2pdd n ASN 27 Ca 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.20 2pdd n ASN 27 Cb 0.20 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 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 -0.29 1.87 4.83 0.00 -1.26 -0.52 105.19 109.81 2pdd n GLY 28 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.27 2.46 -2.50 1.61 5.12 -1.26 -4.61 116.66 116.20 2pdd n ARG 29 Ca 0.00 -3.35 -0.36 0.00 -1.93 0.00 0.00 57.85 52.21 2pdd n ARG 29 Cb 0.17 -2.10 -0.03 0.00 -1.16 0.00 0.00 32.46 29.33 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 -3.92 3.65 0.54 1.55 1.01 0.32 -4.24 120.40 119.31 2pdd s VAL 30 Ca 0.54 1.22 0.07 0.00 0.00 0.00 0.00 61.98 63.81 2pdd s VAL 30 Cb 0.45 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 33.28 2pdd s VAL 30 CO 0.03 -0.04 0.56 -0.76 0.00 0.00 0.00 175.10 174.89 2pdd s LEU 31 N -2.83 2.95 0.05 3.92 1.02 -1.26 -4.67 118.68 117.85 2pdd s LEU 31 Ca 0.60 -1.02 -0.16 0.00 0.02 0.00 0.00 54.13 53.57 2pdd s LEU 31 Cb -0.22 -1.48 -0.25 0.00 0.02 0.00 0.00 46.19 44.26 2pdd s LEU 31 CO 0.27 -1.15 1.14 0.50 0.02 0.00 0.00 176.35 177.13 2pdd h LYS 32 N 0.55 0.62 0.00 1.70 3.11 -1.96 -2.90 116.57 117.68 2pdd h LYS 32 Ca -0.34 -0.71 0.00 0.00 -2.81 0.00 0.00 60.65 56.79 2pdd h LYS 32 Cb 1.29 0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.74 2pdd h LYS 32 CO 0.50 1.30 0.00 0.39 -2.81 0.00 0.00 179.45 178.83 2pdd n GLU 33 N -3.92 0.41 0.27 1.90 1.02 -1.26 -2.92 120.64 116.15 2pdd n GLU 33 Ca -0.12 0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 56.97 2pdd n GLU 33 Cb 0.87 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.73 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 -0.62 0.43 1.62 1.82 -1.83 -2.92 116.42 114.92 2pdd h ASP 34 Ca 0.00 0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 56.56 2pdd h ASP 34 Cb 0.15 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 2pdd h ASP 34 CO 0.00 -0.29 -0.48 0.40 -1.61 0.00 0.00 179.24 177.27 2pdd h ILE 35 N -1.04 1.34 -0.97 2.25 2.04 -1.51 -2.81 117.51 116.81 2pdd h ILE 35 Ca -0.07 -1.65 0.16 0.00 1.00 0.00 0.00 64.86 64.30 2pdd h ILE 35 Cb 0.56 1.86 -0.10 0.00 -0.74 0.00 0.00 36.82 38.40 2pdd h ILE 35 CO 0.12 0.47 0.58 -0.78 0.00 0.00 0.00 178.15 178.55 2pdd h ASP 36 N 0.04 0.77 0.06 1.72 1.82 -1.56 0.18 116.42 119.46 2pdd h ASP 36 Ca -0.00 0.08 -0.15 0.00 -0.39 0.00 0.00 57.03 56.57 2pdd h ASP 36 Cb 0.86 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 2pdd h ASP 36 CO 0.06 0.32 -0.53 0.00 -1.61 0.00 0.00 179.24 177.48 2pdd h ALA 37 N 1.60 0.75 -0.01 -0.78 0.00 -1.30 -0.96 119.26 118.57 2pdd h ALA 37 Ca 0.54 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pdd h ALA 37 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2pdd h ALA 37 CO -0.35 0.68 0.00 0.34 0.00 0.00 0.00 179.25 179.92 2pdd n PHE 38 N -3.96 0.00 0.01 0.00 7.35 0.63 -3.39 117.46 118.09 2pdd n PHE 38 Ca -0.03 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.55 2pdd n PHE 38 Cb 0.59 -0.50 -0.08 0.00 0.35 0.00 0.00 39.48 39.84 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 -0.10 0.00 -2.13 5.85 -1.64 -3.48 115.31 113.82 2pdd h LEU 39 Ca 0.00 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2pdd h LEU 39 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2pdd h LEU 39 CO 0.00 0.55 0.00 0.00 -0.34 0.00 0.00 178.44 178.65 2pdd n ALA 40 N -2.57 0.00 0.00 1.25 0.00 -0.36 -4.81 120.51 114.01 2pdd n ALA 40 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2pdd n ALA 40 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 0.00 0.00 0.00 -1.26 -5.03 105.19 98.90 2pdd n GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.74 0.43 -0.02 0.00 -1.26 -5.30 105.19 97.29 2pdd n GLY 42 Ca 0.00 0.59 0.14 0.00 0.00 0.00 0.00 46.02 46.75 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32