#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 3.99 -0.06 2.52 -1.09 -1.26 -4.63 121.20 120.67 2pdd s ILE 2 Ca 0.00 0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 59.23 2pdd s ILE 2 Cb 0.00 -3.45 0.02 0.00 -1.58 0.00 0.00 42.46 37.45 2pdd s ILE 2 CO 0.00 -0.65 0.09 0.00 -1.23 0.00 0.00 174.94 173.15 2pdd n ALA 3 N -2.29 -2.21 -0.03 9.38 0.00 -1.26 -4.98 120.51 119.12 2pdd n ALA 3 Ca 0.08 0.99 -0.03 0.00 0.00 0.00 0.00 53.44 54.47 2pdd n ALA 3 Cb 0.53 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.67 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 1.98 2.28 0.00 0.00 2.81 -1.26 -4.74 117.12 118.18 2pdd n MET 4 Ca -0.15 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2pdd n MET 4 Cb 0.23 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 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 -2.35 0.72 -0.97 0.03 -0.05 -1.26 -4.77 135.00 126.35 2pdd n PRO 5 Ca -0.10 0.00 -0.18 0.00 -0.05 0.00 0.00 63.50 63.16 2pdd n PRO 5 Cb 0.67 0.00 -0.11 0.00 -0.05 0.00 0.00 33.50 34.01 2pdd n PRO 5 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 2pdd n SER 6 N -0.48 5.65 0.00 3.54 7.64 -1.26 -4.37 113.62 124.34 2pdd n SER 6 Ca 0.00 -2.41 0.00 0.00 1.01 0.00 0.00 58.87 57.47 2pdd n SER 6 Cb 0.00 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 2pdd n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2pdd n VAL 7 N 2.94 0.00 -0.09 0.44 0.31 -1.26 -4.35 118.33 116.32 2pdd n VAL 7 Ca 0.48 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.70 2pdd n VAL 7 Cb 0.62 -0.77 -0.04 0.00 -0.91 0.00 0.00 33.84 32.74 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 0.49 -0.85 5.55 2.43 -1.85 -2.72 114.38 117.44 2pdd h ARG 8 Ca 0.00 -0.17 0.15 0.00 -0.81 0.00 0.00 59.98 59.15 2pdd h ARG 8 Cb 0.00 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 2pdd h ARG 8 CO 0.00 0.67 0.55 0.87 -1.51 0.00 0.00 179.97 180.56 2pdd h LYS 9 N 0.26 0.54 -0.23 0.20 1.57 -1.87 -0.10 116.57 116.94 2pdd h LYS 9 Ca 0.07 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2pdd h LYS 9 Cb 0.47 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2pdd h LYS 9 CO 0.02 0.36 0.09 -0.92 -0.57 0.00 0.00 179.45 178.43 2pdd h TYR 10 N 0.55 0.35 -0.85 -1.35 3.20 -1.68 -2.26 116.97 114.93 2pdd h TYR 10 Ca 0.42 -0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.42 2pdd h TYR 10 Cb 0.83 -0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.90 2pdd h TYR 10 CO -0.00 0.38 0.43 0.00 -1.64 0.00 0.00 178.16 177.33 2pdd h ALA 11 N 0.93 1.27 -0.33 1.82 0.00 -0.84 -0.53 119.26 121.58 2pdd h ALA 11 Ca 0.08 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2pdd h ALA 11 Cb 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2pdd h ALA 11 CO -0.01 -0.10 0.20 0.00 0.00 0.00 0.00 179.25 179.34 2pdd h ARG 12 N 0.61 0.45 -0.71 0.00 3.08 -1.00 0.91 114.38 117.71 2pdd h ARG 12 Ca 0.46 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.56 2pdd h ARG 12 Cb 0.66 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.55 2pdd h ARG 12 CO -0.37 0.35 0.35 0.93 -1.07 0.00 0.00 179.97 180.17 2pdd h GLU 13 N 0.43 0.58 0.00 0.04 4.39 -0.55 -3.32 114.58 116.15 2pdd h GLU 13 Ca 0.12 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2pdd h GLU 13 Cb 0.02 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2pdd h GLU 13 CO -0.02 0.38 -0.01 0.87 -1.16 0.00 0.00 179.01 179.08 2pdd h LYS 14 N 0.60 0.00 0.00 2.33 1.79 -1.01 -3.51 116.57 116.77 2pdd h LYS 14 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 2pdd h LYS 14 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2pdd h LYS 14 CO -0.27 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.51 2pdd n GLY 15 N 1.84 0.07 3.03 3.86 0.00 0.31 -5.09 105.19 109.21 2pdd n GLY 15 Ca -0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.42 1.61 1.01 -1.12 -5.04 120.40 116.43 2pdd s VAL 16 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 2pdd s VAL 16 Cb 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.15 2pdd s VAL 16 CO 0.00 0.02 1.13 -0.62 0.00 0.00 0.00 175.10 175.62 2pdd s ASP 17 N 0.38 6.73 0.32 3.32 -1.08 -1.26 -4.72 116.67 120.35 2pdd s ASP 17 Ca -0.02 0.68 0.08 0.00 -0.52 0.00 0.00 52.55 52.77 2pdd s ASP 17 Cb -0.04 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 39.80 2pdd s ASP 17 CO -0.02 -1.13 1.62 -0.29 0.52 0.00 0.00 175.17 175.87 2pdd h ILE 18 N 6.07 0.18 0.63 4.11 6.09 -1.97 -0.97 117.51 131.65 2pdd h ILE 18 Ca -0.22 -0.05 -0.03 0.00 -1.37 0.00 0.00 64.86 63.19 2pdd h ILE 18 Cb 1.06 0.02 0.01 0.00 0.47 0.00 0.00 36.82 38.38 2pdd h ILE 18 CO 1.09 0.03 -0.31 -0.09 -3.07 0.00 0.00 178.15 175.80 2pdd h ARG 19 N 0.15 -0.82 -0.15 2.19 9.65 -1.90 -2.22 114.38 121.28 2pdd h ARG 19 Ca 0.66 0.06 0.04 0.00 -1.10 0.00 0.00 59.98 59.64 2pdd h ARG 19 Cb 1.48 0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 30.24 2pdd h ARG 19 CO -0.73 -0.55 0.67 -0.07 2.80 0.00 0.00 179.97 182.10 2pdd h LEU 20 N -0.85 0.00 -9.88 3.80 3.38 -1.58 -3.40 115.31 106.78 2pdd h LEU 20 Ca -0.09 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.40 2pdd h LEU 20 Cb 0.66 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.41 2pdd h LEU 20 CO 0.14 0.00 0.41 -0.69 0.09 0.00 0.00 178.44 178.39 2pdd s VAL 21 N -4.15 3.79 -0.47 1.22 1.01 -0.84 -5.00 120.40 115.97 2pdd s VAL 21 Ca -0.02 1.57 0.08 0.00 0.00 0.00 0.00 61.98 63.61 2pdd s VAL 21 Cb 0.07 -3.91 0.29 0.00 0.00 0.00 0.00 36.38 32.84 2pdd s VAL 21 CO 0.23 0.20 0.70 0.00 0.00 0.00 0.00 175.10 176.23 2pdd n GLN 22 N 0.61 1.60 0.00 2.72 6.02 -1.26 -4.69 117.38 122.38 2pdd n GLN 22 Ca 0.02 -3.85 0.00 0.00 -0.01 0.00 0.00 57.00 53.16 2pdd n GLN 22 Cb 0.48 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 0.68 0.62 0.21 1.08 0.00 -1.26 -4.97 105.19 101.55 2pdd n GLY 23 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -3.25 2.61 1.35 -1.97 -3.44 112.91 108.21 2pdd h THR 24 Ca 0.00 -0.65 -0.52 0.00 -0.55 0.00 0.00 66.41 64.69 2pdd h THR 24 Cb 0.00 0.00 -0.40 0.00 -1.73 0.00 0.00 68.15 66.02 2pdd h THR 24 CO 0.00 0.00 -0.76 -0.83 -0.25 0.00 0.00 175.52 173.68 2pdd s GLY 25 N -3.00 0.69 -0.73 5.82 0.00 -1.25 -5.02 107.32 103.82 2pdd s GLY 25 Ca -0.07 -0.70 -0.07 0.00 0.00 0.00 0.00 44.72 43.89 2pdd s GLY 25 CO 0.20 1.45 2.83 0.58 0.00 0.00 0.00 173.10 178.16 2pdd n LYS 26 N 5.06 2.42 0.00 2.90 2.85 -1.26 -2.67 118.16 127.46 2pdd n LYS 26 Ca -0.09 -1.41 0.00 0.00 -1.05 0.00 0.00 58.31 55.76 2pdd n LYS 26 Cb 0.47 -2.32 0.00 0.00 -0.65 0.00 0.00 35.03 32.53 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 3.27 0.00 0.02 -5.58 2.04 -1.26 -4.87 115.26 108.87 2pdd n ASN 27 Ca 0.52 0.00 0.01 0.00 -0.44 0.00 0.00 54.58 54.66 2pdd n ASN 27 Cb 0.45 0.00 0.04 0.00 -2.53 0.00 0.00 39.78 37.73 2pdd n ASN 27 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2pdd n GLY 28 N 0.00 -0.32 2.04 4.83 0.00 -1.26 -0.53 105.19 109.95 2pdd n GLY 28 Ca 0.00 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.37 2.76 -2.25 1.61 5.12 -1.26 -4.68 116.66 116.59 2pdd n ARG 29 Ca -0.00 -3.49 -0.31 0.00 -1.93 0.00 0.00 57.85 52.11 2pdd n ARG 29 Cb 0.23 -2.20 -0.02 0.00 -1.16 0.00 0.00 32.46 29.31 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 -4.34 4.63 0.46 1.55 1.01 0.31 -3.85 120.40 120.16 2pdd s VAL 30 Ca 0.57 1.02 0.08 0.00 0.00 0.00 0.00 61.98 63.65 2pdd s VAL 30 Cb 0.46 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 33.07 2pdd s VAL 30 CO 0.02 -0.85 0.45 -0.76 0.00 0.00 0.00 175.10 173.97 2pdd s LEU 31 N -4.47 3.27 0.01 3.92 2.01 -1.26 -4.99 118.68 117.17 2pdd s LEU 31 Ca 0.57 -0.81 -0.18 0.00 0.01 0.00 0.00 54.13 53.71 2pdd s LEU 31 Cb -0.10 -1.92 -0.26 0.00 0.01 0.00 0.00 46.19 43.91 2pdd s LEU 31 CO 0.40 -0.83 1.07 0.50 1.01 0.00 0.00 176.35 178.50 2pdd h LYS 32 N 0.83 0.47 0.00 1.70 3.64 -1.95 -2.96 116.57 118.30 2pdd h LYS 32 Ca -0.39 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 58.41 2pdd h LYS 32 Cb 1.28 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 2pdd h LYS 32 CO 0.54 1.22 0.00 -1.91 -2.27 0.00 0.00 179.45 177.03 2pdd n GLU 33 N -4.07 0.36 0.32 1.90 2.13 -1.26 -2.96 120.64 117.06 2pdd n GLU 33 Ca -0.12 0.08 -0.13 0.00 0.66 0.00 0.00 57.16 57.65 2pdd n GLU 33 Cb 0.80 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.94 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 -0.72 0.56 4.31 1.82 -1.84 -2.95 116.42 117.61 2pdd h ASP 34 Ca 0.00 0.01 -0.13 0.00 -0.39 0.00 0.00 57.03 56.52 2pdd h ASP 34 Cb 0.09 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 2pdd h ASP 34 CO 0.00 -0.32 -0.61 0.40 -1.61 0.00 0.00 179.24 177.10 2pdd h ILE 35 N -1.21 1.43 -0.90 2.25 2.04 -1.47 -3.01 117.51 116.63 2pdd h ILE 35 Ca -0.09 -2.06 0.14 0.00 1.00 0.00 0.00 64.86 63.85 2pdd h ILE 35 Cb 0.66 2.10 -0.09 0.00 -0.74 0.00 0.00 36.82 38.75 2pdd h ILE 35 CO 0.14 0.59 0.51 -0.78 0.00 0.00 0.00 178.15 178.62 2pdd h ASP 36 N 0.03 0.69 0.58 1.72 3.58 -1.57 0.56 116.42 122.01 2pdd h ASP 36 Ca -0.01 0.07 -0.16 0.00 0.42 0.00 0.00 57.03 57.35 2pdd h ASP 36 Cb 1.08 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 2pdd h ASP 36 CO 0.08 0.32 -0.73 0.00 -2.88 0.00 0.00 179.24 176.03 2pdd h ALA 37 N 1.54 0.74 -0.00 -0.78 0.00 -1.41 -2.12 119.26 117.24 2pdd h ALA 37 Ca 0.47 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2pdd h ALA 37 Cb 0.59 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2pdd h ALA 37 CO -0.32 0.85 -0.01 0.35 0.00 0.00 0.00 179.25 180.13 2pdd h PHE 38 N 0.08 -0.02 0.19 0.00 3.57 -0.76 -3.24 116.94 116.77 2pdd h PHE 38 Ca -0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2pdd h PHE 38 Cb 1.29 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2pdd h PHE 38 CO 0.01 -0.01 -0.09 1.25 -2.23 0.00 0.00 178.31 177.25 2pdd h LEU 39 N -0.01 -0.22 -3.44 0.59 6.46 -1.66 -3.48 115.31 113.56 2pdd h LEU 39 Ca 0.00 -0.31 -0.44 0.00 -0.12 0.00 0.00 57.88 57.01 2pdd h LEU 39 Cb 0.01 0.06 0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2pdd h LEU 39 CO -0.01 0.29 -0.90 0.00 -0.62 0.00 0.00 178.44 177.21 2pdd n ALA 40 N -2.55 -2.63 -1.00 1.25 0.00 -0.80 -4.93 120.51 109.86 2pdd n ALA 40 Ca -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2pdd n ALA 40 Cb 0.26 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.08 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 -1.79 -2.21 7.00 0.00 0.00 -1.26 -4.75 105.19 102.18 2pdd n GLY 41 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.01 0.69 0.00 -0.02 0.00 -1.26 -5.27 105.19 99.34 2pdd n GLY 42 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32