#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 0.00 -0.06 1.34 -5.25 -1.26 -5.10 121.20 110.87 2pdd s ILE 2 Ca 0.00 -1.82 -0.33 0.00 -0.99 0.00 0.00 60.65 57.51 2pdd s ILE 2 Cb 0.00 -2.52 -0.11 0.00 2.95 0.00 0.00 42.46 42.78 2pdd s ILE 2 CO 0.00 0.00 1.90 0.00 -1.79 0.00 0.00 174.94 175.05 2pdd n ALA 3 N -0.50 1.05 -1.69 2.27 0.00 -1.26 -4.92 120.51 115.45 2pdd n ALA 3 Ca 0.03 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.38 2pdd n ALA 3 Cb 0.63 -2.54 0.05 0.00 0.00 0.00 0.00 19.45 17.59 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 4.14 2.79 -1.08 0.00 1.00 -1.26 -4.80 119.30 120.09 2pdd s MET 4 Ca 0.92 1.85 -0.26 0.00 0.00 0.00 0.00 55.69 58.19 2pdd s MET 4 Cb -0.63 -1.90 -0.20 0.00 0.00 0.00 0.00 34.83 32.09 2pdd s MET 4 CO 0.49 -1.35 2.11 -1.25 0.00 0.00 0.00 175.02 175.02 2pdd s PRO 5 N -3.43 1.36 0.00 2.03 0.04 -1.26 -2.45 135.00 131.28 2pdd s PRO 5 Ca 0.78 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.34 2pdd s PRO 5 Cb -0.31 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.22 2pdd s PRO 5 CO 0.36 -5.27 0.00 0.45 0.04 0.00 0.00 177.00 172.58 2pdd n SER 6 N 19.00 0.00 -0.02 6.66 2.88 -1.26 -5.01 113.62 135.86 2pdd n SER 6 Ca 0.42 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.94 2pdd n SER 6 Cb 0.47 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.92 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 0.50 -0.29 2.46 0.31 -1.03 -4.37 118.33 115.92 2pdd n VAL 7 Ca 0.00 0.33 -0.02 0.00 -0.01 0.00 0.00 64.34 64.65 2pdd n VAL 7 Cb 0.00 -1.69 0.16 0.00 -0.91 0.00 0.00 33.84 31.40 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 -0.28 1.14 -0.84 5.55 2.43 -1.92 -2.39 114.38 118.07 2pdd h ARG 8 Ca 0.00 -0.10 0.11 0.00 -0.81 0.00 0.00 59.98 59.18 2pdd h ARG 8 Cb 0.28 -0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 29.51 2pdd h ARG 8 CO 0.00 0.80 0.47 0.87 -1.51 0.00 0.00 179.97 180.60 2pdd h LYS 9 N 1.16 0.73 -0.17 0.20 1.57 -1.89 -1.01 116.57 117.17 2pdd h LYS 9 Ca 0.30 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 2pdd h LYS 9 Cb -0.06 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 2pdd h LYS 9 CO -0.06 0.48 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.37 2pdd h TYR 10 N 0.75 -0.04 -0.91 -1.35 3.20 -1.63 -1.50 116.97 115.50 2pdd h TYR 10 Ca 0.42 0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.52 2pdd h TYR 10 Cb 0.46 0.04 -0.12 0.00 1.54 0.00 0.00 36.73 38.65 2pdd h TYR 10 CO -0.07 -0.04 0.42 0.00 -1.64 0.00 0.00 178.16 176.84 2pdd h ALA 11 N 1.15 1.47 -0.33 1.82 0.00 -1.14 0.47 119.26 122.70 2pdd h ALA 11 Ca 0.08 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2pdd h ALA 11 Cb 0.10 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2pdd h ALA 11 CO -0.15 -0.31 0.12 0.00 0.00 0.00 0.00 179.25 178.91 2pdd h ARG 12 N 0.44 0.50 -0.12 0.00 3.08 -0.82 1.23 114.38 118.69 2pdd h ARG 12 Ca 0.56 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.56 2pdd h ARG 12 Cb 1.05 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.96 2pdd h ARG 12 CO -0.51 0.52 -0.37 0.93 -1.07 0.00 0.00 179.97 179.46 2pdd h GLU 13 N 0.38 -0.44 0.00 0.04 5.08 -0.28 -1.84 114.58 117.52 2pdd h GLU 13 Ca 0.11 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2pdd h GLU 13 Cb 0.21 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2pdd h GLU 13 CO -0.01 -0.29 -0.25 0.87 -1.00 0.00 0.00 179.01 178.33 2pdd h LYS 14 N -0.46 0.00 -2.49 2.33 1.79 -1.40 -3.49 116.57 112.85 2pdd h LYS 14 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2pdd h LYS 14 Cb 0.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2pdd h LYS 14 CO -0.37 0.25 0.00 0.41 -1.08 0.00 0.00 179.45 178.66 2pdd n GLY 15 N 1.15 -0.59 3.13 3.86 0.00 0.41 -5.10 105.19 108.05 2pdd n GLY 15 Ca 0.03 -0.21 -0.12 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 -0.77 -0.02 -0.64 1.61 1.01 -0.25 -4.99 120.40 116.35 2pdd s VAL 16 Ca 0.00 0.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 2pdd s VAL 16 Cb 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 35.99 2pdd s VAL 16 CO 0.00 0.03 1.33 -0.62 0.00 0.00 0.00 175.10 175.84 2pdd s ASP 17 N 0.69 6.17 0.31 3.32 -1.08 -1.26 -4.65 116.67 120.17 2pdd s ASP 17 Ca -0.04 -0.06 0.07 0.00 -0.52 0.00 0.00 52.55 52.00 2pdd s ASP 17 Cb -0.06 -2.55 0.85 0.00 -1.46 0.00 0.00 42.92 39.70 2pdd s ASP 17 CO -0.04 -1.75 1.65 -0.29 0.52 0.00 0.00 175.17 175.26 2pdd h ILE 18 N 6.21 0.29 -0.11 4.11 2.10 -1.96 -0.85 117.51 127.30 2pdd h ILE 18 Ca -0.27 -0.08 0.04 0.00 1.08 0.00 0.00 64.86 65.64 2pdd h ILE 18 Cb 1.07 0.03 -0.06 0.00 -1.09 0.00 0.00 36.82 36.78 2pdd h ILE 18 CO 1.22 0.04 -0.27 -0.09 -1.08 0.00 0.00 178.15 177.98 2pdd h ARG 19 N 0.23 -0.34 -0.29 2.19 9.65 -1.90 -0.86 114.38 123.06 2pdd h ARG 19 Ca 0.62 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.61 2pdd h ARG 19 Cb 1.33 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.98 2pdd h ARG 19 CO -0.66 -0.23 0.28 -0.07 2.80 0.00 0.00 179.97 182.10 2pdd h LEU 20 N -0.35 0.00 -9.99 3.80 3.38 -1.56 -3.42 115.31 107.16 2pdd h LEU 20 Ca 0.09 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.52 2pdd h LEU 20 Cb 0.49 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.36 2pdd h LEU 20 CO -0.31 0.00 0.68 -0.69 0.09 0.00 0.00 178.44 178.22 2pdd s VAL 21 N -4.72 2.15 -0.48 1.22 1.01 -0.33 -4.97 120.40 114.28 2pdd s VAL 21 Ca -0.05 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.14 2pdd s VAL 21 Cb 0.16 -3.07 0.25 0.00 0.00 0.00 0.00 36.38 33.72 2pdd s VAL 21 CO 0.59 0.02 0.61 1.67 0.00 0.00 0.00 175.10 177.98 2pdd n GLN 22 N -0.21 1.36 0.00 2.72 7.27 -1.26 -4.57 117.38 122.69 2pdd n GLN 22 Ca 0.05 -3.74 0.00 0.00 0.07 0.00 0.00 57.00 53.39 2pdd n GLN 22 Cb 0.42 -1.59 0.00 0.00 2.41 0.00 0.00 30.24 31.49 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 1.18 0.52 0.12 1.69 0.00 -1.26 -4.94 105.19 102.49 2pdd n GLY 23 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 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 1.50 -1.67 2.61 1.35 -1.95 -3.44 112.91 111.30 2pdd h THR 24 Ca 0.00 -2.04 -0.09 0.00 -0.55 0.00 0.00 66.41 63.73 2pdd h THR 24 Cb 0.00 2.72 -0.28 0.00 -1.73 0.00 0.00 68.15 68.86 2pdd h THR 24 CO 0.00 0.57 -0.43 -0.83 -0.25 0.00 0.00 175.52 174.58 2pdd s GLY 25 N -4.01 -0.56 -1.39 5.82 0.00 -1.26 -5.04 107.32 100.87 2pdd s GLY 25 Ca -0.15 1.13 -0.09 0.00 0.00 0.00 0.00 44.72 45.61 2pdd s GLY 25 CO 0.78 2.84 2.64 0.58 0.00 0.00 0.00 173.10 179.94 2pdd n LYS 26 N 5.38 3.13 -0.18 2.90 2.85 -1.26 -3.18 118.16 127.79 2pdd n LYS 26 Ca -0.03 -2.01 0.00 0.00 -1.05 0.00 0.00 58.31 55.22 2pdd n LYS 26 Cb 0.50 -2.74 0.00 0.00 -0.65 0.00 0.00 35.03 32.14 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 4.06 0.00 0.00 -5.58 0.23 -1.26 -4.96 115.26 107.76 2pdd n ASN 27 Ca 0.66 -0.16 0.00 0.00 -0.53 0.00 0.00 54.58 54.56 2pdd n ASN 27 Cb 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 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 2.19 4.83 0.00 -1.26 -0.89 105.19 109.80 2pdd n GLY 28 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.24 3.23 -2.16 1.61 5.12 -1.26 -4.62 116.66 117.34 2pdd n ARG 29 Ca 0.00 -3.84 -0.31 0.00 -1.93 0.00 0.00 57.85 51.77 2pdd n ARG 29 Cb 0.19 -2.28 -0.01 0.00 -1.16 0.00 0.00 32.46 29.20 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 -4.76 4.67 0.46 1.55 1.01 -0.07 -4.25 120.40 119.02 2pdd s VAL 30 Ca 0.56 0.92 0.06 0.00 0.00 0.00 0.00 61.98 63.52 2pdd s VAL 30 Cb 0.45 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2pdd s VAL 30 CO -0.01 -0.94 0.22 -0.76 0.00 0.00 0.00 175.10 173.61 2pdd s LEU 31 N -4.71 2.91 0.02 3.92 1.02 -1.26 -5.02 118.68 115.55 2pdd s LEU 31 Ca 0.55 -1.19 -0.18 0.00 0.02 0.00 0.00 54.13 53.33 2pdd s LEU 31 Cb -0.11 -1.30 -0.24 0.00 0.02 0.00 0.00 46.19 44.56 2pdd s LEU 31 CO 0.45 -0.74 1.10 0.50 0.02 0.00 0.00 176.35 177.68 2pdd h LYS 32 N 1.22 0.48 0.00 1.70 3.64 -1.95 -2.85 116.57 118.82 2pdd h LYS 32 Ca -0.41 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.42 2pdd h LYS 32 Cb 1.27 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2pdd h LYS 32 CO 0.67 1.18 0.00 -0.85 -2.27 0.00 0.00 179.45 178.18 2pdd n GLU 33 N -4.10 0.00 0.27 1.90 0.28 -1.26 -2.11 120.64 115.61 2pdd n GLU 33 Ca -0.11 0.33 -0.14 0.00 -0.16 0.00 0.00 57.16 57.08 2pdd n GLU 33 Cb 0.75 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 32.04 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2pdd h ASP 34 N 0.00 -0.60 0.34 -1.84 1.82 -1.82 -2.96 116.42 111.36 2pdd h ASP 34 Ca 0.00 -0.06 -0.15 0.00 -0.39 0.00 0.00 57.03 56.43 2pdd h ASP 34 Cb 0.17 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 2pdd h ASP 34 CO 0.00 -0.24 -0.63 0.40 -1.61 0.00 0.00 179.24 177.16 2pdd h ILE 35 N -1.02 1.39 -0.94 2.25 2.04 -1.18 -3.06 117.51 116.99 2pdd h ILE 35 Ca -0.07 -2.03 0.20 0.00 1.00 0.00 0.00 64.86 63.97 2pdd h ILE 35 Cb 0.62 2.03 -0.11 0.00 -0.74 0.00 0.00 36.82 38.61 2pdd h ILE 35 CO 0.12 0.60 0.50 -0.78 0.00 0.00 0.00 178.15 178.59 2pdd h ASP 36 N 0.20 0.56 0.18 1.72 3.58 -1.44 0.27 116.42 121.50 2pdd h ASP 36 Ca -0.01 0.12 -0.17 0.00 0.42 0.00 0.00 57.03 57.40 2pdd h ASP 36 Cb 1.15 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2pdd h ASP 36 CO 0.10 0.13 -0.63 0.00 -2.88 0.00 0.00 179.24 175.97 2pdd h ALA 37 N 1.67 0.69 -0.06 -0.78 0.00 -1.42 -2.40 119.26 116.96 2pdd h ALA 37 Ca 0.57 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2pdd h ALA 37 Cb 0.98 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2pdd h ALA 37 CO -0.45 0.72 0.00 0.34 0.00 0.00 0.00 179.25 179.86 2pdd n PHE 38 N -3.90 0.00 0.18 0.00 7.35 0.93 -3.20 117.46 118.83 2pdd n PHE 38 Ca -0.03 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.54 2pdd n PHE 38 Cb 0.64 -0.49 -0.07 0.00 0.35 0.00 0.00 39.48 39.92 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 -0.43 -8.16 -2.13 6.46 -1.66 -3.33 115.31 106.06 2pdd h LEU 39 Ca 0.00 -0.12 -0.19 0.00 -0.12 0.00 0.00 57.88 57.45 2pdd h LEU 39 Cb 0.00 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 39.98 2pdd h LEU 39 CO 0.00 -0.01 1.08 0.00 -0.62 0.00 0.00 178.44 178.89 2pdd n ALA 40 N -2.61 0.76 0.00 1.25 0.00 -0.90 0.38 120.51 119.38 2pdd n ALA 40 Ca -0.09 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.26 2pdd n ALA 40 Cb 0.27 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 16.90 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 6.12 3.36 7.00 0.00 0.00 -1.26 -4.70 105.19 115.71 2pdd n GLY 41 Ca 0.58 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.01 0.00 -0.02 0.00 0.16 -5.18 105.19 101.16 2pdd n GLY 42 Ca 0.00 0.61 0.03 0.00 0.00 0.00 0.00 46.02 46.66 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32