#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 2.77 0.56 2.52 -5.25 -1.26 -4.85 121.20 115.69 2pdd s ILE 2 Ca 0.00 0.25 0.00 0.00 -0.99 0.00 0.00 60.65 59.91 2pdd s ILE 2 Cb 0.00 -2.98 0.00 0.00 2.95 0.00 0.00 42.46 42.43 2pdd s ILE 2 CO 0.00 -0.33 0.00 0.00 -1.79 0.00 0.00 174.94 172.82 2pdd n ALA 3 N -3.54 -2.66 -1.80 2.27 0.00 -1.26 -4.83 120.51 108.69 2pdd n ALA 3 Ca 0.07 0.64 -0.35 0.00 0.00 0.00 0.00 53.44 53.80 2pdd n ALA 3 Cb 0.57 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 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 -4.92 4.32 1.25 0.00 -1.94 -1.26 -4.97 119.30 111.78 2pdd s MET 4 Ca 0.00 1.26 -0.16 0.00 -1.71 0.00 0.00 55.69 55.07 2pdd s MET 4 Cb 0.00 -2.44 0.31 0.00 2.01 0.00 0.00 34.83 34.72 2pdd s MET 4 CO 0.00 0.04 1.00 -1.25 -0.01 0.00 0.00 175.02 174.80 2pdd s PRO 5 N -2.70 -1.62 0.00 2.03 0.04 -1.26 -3.03 135.00 128.45 2pdd s PRO 5 Ca 0.58 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2pdd s PRO 5 Cb -0.14 -1.50 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2pdd s PRO 5 CO 0.19 -4.11 0.00 0.45 0.04 0.00 0.00 177.00 173.57 2pdd n SER 6 N -5.14 0.00 -0.10 6.66 2.88 -1.26 -4.56 113.62 112.09 2pdd n SER 6 Ca 0.06 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.44 2pdd n SER 6 Cb 0.57 -0.27 -0.06 0.00 -0.75 0.00 0.00 64.21 63.70 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 -1.25 1.50 0.25 2.46 0.31 -1.17 -4.19 118.33 116.24 2pdd n VAL 7 Ca 0.00 -0.03 0.08 0.00 -0.01 0.00 0.00 64.34 64.38 2pdd n VAL 7 Cb 0.00 -2.17 0.61 0.00 -0.91 0.00 0.00 33.84 31.37 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 -1.00 0.00 -0.71 5.55 2.43 -1.80 -2.25 114.38 116.59 2pdd h ARG 8 Ca -0.26 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.92 2pdd h ARG 8 Cb 1.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 2pdd h ARG 8 CO -0.16 0.10 0.47 0.87 -1.51 0.00 0.00 179.97 179.74 2pdd h LYS 9 N 0.00 0.91 -0.05 0.20 1.79 -1.88 -1.20 116.57 116.34 2pdd h LYS 9 Ca -0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2pdd h LYS 9 Cb 0.19 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2pdd h LYS 9 CO 0.01 0.60 0.03 -0.92 -1.08 0.00 0.00 179.45 178.10 2pdd h TYR 10 N 0.94 0.06 -0.79 -1.35 5.03 -1.57 -0.88 116.97 118.41 2pdd h TYR 10 Ca 0.27 0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.75 2pdd h TYR 10 Cb -0.07 -0.02 -0.11 0.00 1.55 0.00 0.00 36.73 38.08 2pdd h TYR 10 CO -0.03 0.04 0.31 0.00 -1.32 0.00 0.00 178.16 177.16 2pdd h ALA 11 N 1.02 1.15 -0.31 1.82 0.00 -1.33 0.29 119.26 121.89 2pdd h ALA 11 Ca 0.02 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2pdd h ALA 11 Cb -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2pdd h ALA 11 CO -0.00 -0.26 0.15 0.00 0.00 0.00 0.00 179.25 179.14 2pdd h ARG 12 N 0.41 0.44 -0.78 0.00 3.08 -0.50 0.90 114.38 117.94 2pdd h ARG 12 Ca 0.45 -0.06 0.19 0.00 0.07 0.00 0.00 59.98 60.63 2pdd h ARG 12 Cb 0.75 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.68 2pdd h ARG 12 CO -0.45 0.41 0.53 0.93 -1.07 0.00 0.00 179.97 180.32 2pdd h GLU 13 N 0.37 0.20 0.00 0.04 4.39 0.41 0.20 114.58 120.18 2pdd h GLU 13 Ca 0.11 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2pdd h GLU 13 Cb 0.11 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2pdd h GLU 13 CO -0.01 0.14 -1.33 1.63 -1.16 0.00 0.00 179.01 178.27 2pdd n LYS 14 N -4.41 0.52 -1.01 2.33 4.76 -0.69 -4.95 118.16 114.71 2pdd n LYS 14 Ca 0.16 -0.02 -0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2pdd n LYS 14 Cb 0.70 -1.66 -0.00 0.00 -1.84 0.00 0.00 35.03 32.23 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 1.26 0.47 3.81 0.72 0.00 0.30 -5.01 105.19 106.75 2pdd n GLY 15 Ca -0.01 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.97 4.48 -0.71 1.61 1.01 -0.56 -4.97 120.40 119.30 2pdd s VAL 16 Ca 0.00 1.40 -0.24 0.00 0.00 0.00 0.00 61.98 63.14 2pdd s VAL 16 Cb 0.00 -3.87 0.06 0.00 0.00 0.00 0.00 36.38 32.58 2pdd s VAL 16 CO 0.00 0.14 1.08 -0.62 0.00 0.00 0.00 175.10 175.70 2pdd s ASP 17 N -1.71 6.20 0.34 3.32 -1.08 -1.26 -4.55 116.67 117.92 2pdd s ASP 17 Ca 0.46 -0.90 0.12 0.00 -0.52 0.00 0.00 52.55 51.72 2pdd s ASP 17 Cb -0.16 -2.46 1.08 0.00 -1.46 0.00 0.00 42.92 39.91 2pdd s ASP 17 CO 0.21 -1.54 1.59 -0.29 0.52 0.00 0.00 175.17 175.66 2pdd h ILE 18 N 6.01 0.04 0.03 4.11 2.10 -1.93 -1.13 117.51 126.74 2pdd h ILE 18 Ca -0.25 -0.01 0.02 0.00 1.08 0.00 0.00 64.86 65.69 2pdd h ILE 18 Cb 1.06 0.00 -0.05 0.00 -1.09 0.00 0.00 36.82 36.75 2pdd h ILE 18 CO 1.21 0.01 -0.46 -0.09 -1.08 0.00 0.00 178.15 177.74 2pdd h ARG 19 N 0.04 -0.58 -0.67 2.19 2.43 -1.89 -1.51 114.38 114.38 2pdd h ARG 19 Ca 0.73 0.04 0.19 0.00 -0.81 0.00 0.00 59.98 60.14 2pdd h ARG 19 Cb 1.77 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 31.43 2pdd h ARG 19 CO -0.81 -0.39 0.54 -0.07 -1.51 0.00 0.00 179.97 177.73 2pdd h LEU 20 N -0.60 0.00 -9.78 3.80 3.38 -1.62 -3.42 115.31 107.06 2pdd h LEU 20 Ca 0.01 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.41 2pdd h LEU 20 Cb 0.64 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.50 2pdd h LEU 20 CO -0.29 0.00 0.48 0.52 0.09 0.00 0.00 178.44 179.24 2pdd n VAL 21 N -4.09 2.26 -3.29 1.22 0.31 -0.57 -4.96 118.33 109.21 2pdd n VAL 21 Ca 0.13 -0.50 -0.25 0.00 -0.01 0.00 0.00 64.34 63.71 2pdd n VAL 21 Cb 0.79 -1.55 -0.08 0.00 -0.91 0.00 0.00 33.84 32.10 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 0.31 0.87 0.00 5.55 7.27 -1.26 -4.84 117.38 125.28 2pdd n GLN 22 Ca 0.06 -3.44 0.00 0.00 0.07 0.00 0.00 57.00 53.68 2pdd n GLN 22 Cb 0.38 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.54 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 1.67 0.75 0.01 1.69 0.00 -1.26 -5.00 105.19 103.05 2pdd n GLY 23 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 2pdd n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pdd n THR 24 N 0.00 0.20 -3.49 2.61 -2.24 -1.26 -4.78 114.28 105.32 2pdd n THR 24 Ca 0.00 0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 61.83 2pdd n THR 24 Cb 0.00 -1.62 -0.04 0.00 -2.10 0.00 0.00 70.33 66.57 2pdd n THR 24 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pdd s GLY 25 N -2.94 2.98 -0.92 3.38 0.00 -1.26 -4.97 107.32 103.59 2pdd s GLY 25 Ca -0.03 -3.67 -0.23 0.00 0.00 0.00 0.00 44.72 40.79 2pdd s GLY 25 CO 0.04 1.24 1.91 1.17 0.00 0.00 0.00 173.10 177.46 2pdd n LYS 26 N 2.90 1.46 -0.21 2.90 4.81 -1.26 -2.94 118.16 125.81 2pdd n LYS 26 Ca 0.19 -2.08 0.00 0.00 -0.87 0.00 0.00 58.31 55.55 2pdd n LYS 26 Cb 0.40 -3.26 0.00 0.00 0.02 0.00 0.00 35.03 32.18 2pdd n LYS 26 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2pdd n ASN 27 N 10.71 0.00 0.00 3.14 2.04 -1.26 -4.95 115.26 124.94 2pdd n ASN 27 Ca 0.47 -0.15 0.00 0.00 -0.44 0.00 0.00 54.58 54.46 2pdd n ASN 27 Cb 0.43 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.68 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 -0.18 2.18 4.83 0.00 -1.26 -1.47 105.19 109.29 2pdd n GLY 28 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.14 3.46 -1.54 1.61 5.12 -1.26 -4.61 116.66 118.29 2pdd n ARG 29 Ca 0.00 -4.13 -0.32 0.00 -1.93 0.00 0.00 57.85 51.47 2pdd n ARG 29 Cb 0.03 -2.27 0.06 0.00 -1.16 0.00 0.00 32.46 29.12 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 -4.84 3.36 0.50 1.55 1.01 -0.54 -4.46 120.40 116.98 2pdd s VAL 30 Ca 0.52 0.53 0.07 0.00 0.00 0.00 0.00 61.98 63.10 2pdd s VAL 30 Cb 0.42 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.77 2pdd s VAL 30 CO -0.03 -0.49 0.46 -0.76 0.00 0.00 0.00 175.10 174.28 2pdd s LEU 31 N -5.36 3.05 0.14 3.92 1.43 -1.26 -5.00 118.68 115.61 2pdd s LEU 31 Ca 0.64 -0.98 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2pdd s LEU 31 Cb -0.18 -1.61 -0.08 0.00 0.03 0.00 0.00 46.19 44.34 2pdd s LEU 31 CO 0.49 -0.96 1.32 0.50 0.23 0.00 0.00 176.35 177.93 2pdd h LYS 32 N 0.77 0.19 0.00 1.70 3.64 -1.95 -2.92 116.57 118.00 2pdd h LYS 32 Ca -0.37 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 2pdd h LYS 32 Cb 1.29 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2pdd h LYS 32 CO 0.55 1.01 0.00 0.39 -2.27 0.00 0.00 179.45 179.13 2pdd n GLU 33 N -3.60 0.10 0.19 1.90 1.02 -1.26 -3.06 120.64 115.93 2pdd n GLU 33 Ca -0.04 0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 56.98 2pdd n GLU 33 Cb 0.86 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.70 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 -0.41 0.20 1.62 1.82 -1.81 -2.91 116.42 114.93 2pdd h ASP 34 Ca 0.00 -0.11 -0.15 0.00 -0.39 0.00 0.00 57.03 56.39 2pdd h ASP 34 Cb 0.43 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.54 2pdd h ASP 34 CO 0.00 -0.12 -0.55 0.40 -1.61 0.00 0.00 179.24 177.36 2pdd h ILE 35 N -0.71 1.35 -0.94 2.25 2.04 -1.48 -3.02 117.51 117.00 2pdd h ILE 35 Ca -0.05 -1.83 0.20 0.00 1.00 0.00 0.00 64.86 64.18 2pdd h ILE 35 Cb 0.49 1.85 -0.11 0.00 -0.74 0.00 0.00 36.82 38.31 2pdd h ILE 35 CO 0.08 0.55 0.50 -0.78 0.00 0.00 0.00 178.15 178.51 2pdd h ASP 36 N 0.29 0.56 0.14 1.72 1.82 -1.46 0.33 116.42 119.82 2pdd h ASP 36 Ca 0.00 0.12 -0.15 0.00 -0.39 0.00 0.00 57.03 56.62 2pdd h ASP 36 Cb 1.06 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.10 2pdd h ASP 36 CO 0.09 0.13 -0.54 0.00 -1.61 0.00 0.00 179.24 177.31 2pdd h ALA 37 N 1.67 0.79 -0.08 -0.78 0.00 -1.39 -2.63 119.26 116.84 2pdd h ALA 37 Ca 0.57 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2pdd h ALA 37 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2pdd h ALA 37 CO -0.45 0.69 -0.06 0.35 0.00 0.00 0.00 179.25 179.78 2pdd h PHE 38 N 0.33 -0.20 0.25 0.00 3.57 -0.26 -3.22 116.94 117.42 2pdd h PHE 38 Ca 0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2pdd h PHE 38 Cb 1.06 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2pdd h PHE 38 CO 0.03 -0.05 -0.12 1.25 -2.23 0.00 0.00 178.31 177.20 2pdd h LEU 39 N -0.02 -0.29 -3.56 0.59 5.85 -1.65 -3.48 115.31 112.76 2pdd h LEU 39 Ca 0.01 0.01 -0.42 0.00 0.84 0.00 0.00 57.88 58.32 2pdd h LEU 39 Cb 0.05 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2pdd h LEU 39 CO -0.09 -0.04 -0.95 0.00 -0.34 0.00 0.00 178.44 177.03 2pdd n ALA 40 N -2.42 -2.77 0.00 1.25 0.00 -0.99 -4.85 120.51 110.73 2pdd n ALA 40 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2pdd n ALA 40 Cb 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.67 -1.45 3.61 0.00 0.00 -1.26 -5.10 105.19 99.32 2pdd n GLY 41 Ca -0.28 0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.89 0.00 -0.02 0.00 -1.26 -5.27 107.32 101.66 2pdd s GLY 42 Ca 0.00 0.55 0.03 0.00 0.00 0.00 0.00 44.72 45.30 2pdd s GLY 42 CO 0.00 3.36 0.66 0.00 0.00 0.00 0.00 173.10 177.12