#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 2.18 -1.29 -1.28 0.00 -1.26 -4.91 120.51 113.96 2pdd n ALA 3 Ca 0.00 0.38 -0.36 0.00 0.00 0.00 0.00 53.44 53.45 2pdd n ALA 3 Cb 0.00 -2.41 0.06 0.00 0.00 0.00 0.00 19.45 17.10 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 1.95 0.32 -0.54 0.00 0.00 -1.26 -4.83 117.12 112.76 2pdd n MET 4 Ca 0.09 0.14 -0.30 0.00 0.00 0.00 0.00 57.70 57.63 2pdd n MET 4 Cb 0.36 -1.78 0.23 0.00 0.00 0.00 0.00 33.22 32.03 2pdd n MET 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2pdd n PRO 5 N -0.53 -2.29 0.00 0.03 -0.04 -1.26 -2.86 135.00 128.05 2pdd n PRO 5 Ca 0.10 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 2pdd n PRO 5 Cb 0.50 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 2pdd n PRO 5 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2pdd n SER 6 N -3.77 0.00 0.00 3.54 3.41 -1.26 -4.79 113.62 110.75 2pdd n SER 6 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2pdd n SER 6 Cb 0.57 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2pdd n SER 6 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pdd n VAL 7 N -1.93 0.00 -0.14 -3.33 0.31 -1.13 -3.47 118.33 108.63 2pdd n VAL 7 Ca 0.00 0.43 -0.10 0.00 -0.01 0.00 0.00 64.34 64.66 2pdd n VAL 7 Cb 0.00 -1.35 -0.01 0.00 -0.91 0.00 0.00 33.84 31.57 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 0.68 -0.72 5.55 2.43 -1.87 -2.59 114.38 117.86 2pdd h ARG 8 Ca 0.00 -0.19 0.10 0.00 -0.81 0.00 0.00 59.98 59.08 2pdd h ARG 8 Cb 0.00 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 2pdd h ARG 8 CO 0.00 0.73 0.48 0.87 -1.51 0.00 0.00 179.97 180.54 2pdd h LYS 9 N 0.52 0.57 -0.41 0.20 1.57 -1.91 -0.54 116.57 116.57 2pdd h LYS 9 Ca 0.12 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2pdd h LYS 9 Cb 0.39 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2pdd h LYS 9 CO 0.01 0.38 0.23 -0.92 -0.57 0.00 0.00 179.45 178.58 2pdd h TYR 10 N 0.59 0.56 -0.89 -1.35 5.03 -1.50 -2.11 116.97 117.30 2pdd h TYR 10 Ca 0.33 -0.01 0.21 0.00 2.58 0.00 0.00 58.73 61.85 2pdd h TYR 10 Cb 0.51 -0.18 -0.12 0.00 1.55 0.00 0.00 36.73 38.49 2pdd h TYR 10 CO -0.00 0.43 0.40 0.00 -1.32 0.00 0.00 178.16 177.66 2pdd h ALA 11 N 1.09 1.43 -0.39 1.82 0.00 -0.95 0.11 119.26 122.37 2pdd h ALA 11 Ca 0.15 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2pdd h ALA 11 Cb 0.05 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2pdd h ALA 11 CO -0.02 -0.32 0.11 0.00 0.00 0.00 0.00 179.25 179.02 2pdd h ARG 12 N 0.42 0.60 -0.26 0.00 2.47 -1.22 1.16 114.38 117.55 2pdd h ARG 12 Ca 0.55 -0.13 0.06 0.00 -1.26 0.00 0.00 59.98 59.20 2pdd h ARG 12 Cb 1.03 -0.08 -0.07 0.00 -1.65 0.00 0.00 29.97 29.20 2pdd h ARG 12 CO -0.51 0.62 -0.24 0.93 0.56 0.00 0.00 179.97 181.32 2pdd h GLU 13 N 0.48 -0.23 0.00 0.04 4.39 -0.37 -1.70 114.58 117.19 2pdd h GLU 13 Ca 0.12 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 2pdd h GLU 13 Cb 0.27 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2pdd h GLU 13 CO -0.00 -0.15 -0.47 0.87 -1.16 0.00 0.00 179.01 178.09 2pdd h LYS 14 N -0.24 0.00 -2.50 2.33 1.79 -1.37 -3.49 116.57 113.10 2pdd h LYS 14 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2pdd h LYS 14 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2pdd h LYS 14 CO -0.40 0.23 0.00 0.41 -1.08 0.00 0.00 179.45 178.62 2pdd n GLY 15 N 1.19 -0.42 3.08 3.86 0.00 0.38 -5.10 105.19 108.19 2pdd n GLY 15 Ca 0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.06 -0.01 -0.81 1.61 1.01 -0.21 -4.99 120.40 115.94 2pdd s VAL 16 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 2pdd s VAL 16 Cb 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.12 2pdd s VAL 16 CO 0.00 0.01 1.29 -0.62 0.00 0.00 0.00 175.10 175.78 2pdd s ASP 17 N 0.27 6.26 0.35 3.32 -1.08 -1.26 -4.63 116.67 119.90 2pdd s ASP 17 Ca -0.01 -0.80 0.14 0.00 -0.52 0.00 0.00 52.55 51.36 2pdd s ASP 17 Cb -0.03 -2.55 1.14 0.00 -1.46 0.00 0.00 42.92 40.02 2pdd s ASP 17 CO -0.01 -1.70 1.60 -0.29 0.52 0.00 0.00 175.17 175.29 2pdd h ILE 18 N 6.22 0.07 -0.10 4.11 2.10 -1.96 -0.52 117.51 127.44 2pdd h ILE 18 Ca -0.14 -0.02 0.04 0.00 1.08 0.00 0.00 64.86 65.81 2pdd h ILE 18 Cb 1.04 -0.00 -0.06 0.00 -1.09 0.00 0.00 36.82 36.71 2pdd h ILE 18 CO 1.31 0.01 -0.45 -0.09 -1.08 0.00 0.00 178.15 177.84 2pdd h ARG 19 N 0.07 -0.52 -0.76 2.19 9.65 -1.92 -1.80 114.38 121.30 2pdd h ARG 19 Ca 0.76 0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.74 2pdd h ARG 19 Cb 1.86 0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 30.51 2pdd h ARG 19 CO -0.77 -0.35 0.50 -0.07 2.80 0.00 0.00 179.97 182.08 2pdd h LEU 20 N -0.54 0.70 -9.34 3.80 3.38 -1.51 -3.43 115.31 108.37 2pdd h LEU 20 Ca 0.06 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.41 2pdd h LEU 20 Cb 0.65 -0.14 0.12 0.00 0.09 0.00 0.00 40.66 41.37 2pdd h LEU 20 CO -0.39 0.45 -0.11 0.52 0.09 0.00 0.00 178.44 179.00 2pdd n VAL 21 N -4.48 1.98 -3.19 1.22 0.31 -0.68 -4.93 118.33 108.56 2pdd n VAL 21 Ca 0.11 -0.50 -0.23 0.00 -0.01 0.00 0.00 64.34 63.71 2pdd n VAL 21 Cb 0.23 -0.69 -0.05 0.00 -0.91 0.00 0.00 33.84 32.42 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 0.75 1.46 0.00 5.55 -0.06 -1.26 -4.71 117.38 119.11 2pdd n GLN 22 Ca 0.12 -3.75 0.00 0.00 -2.00 0.00 0.00 57.00 51.37 2pdd n GLN 22 Cb 0.32 -1.69 0.00 0.00 -4.06 0.00 0.00 30.24 24.80 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 0.72 1.15 0.05 1.69 0.00 -1.26 -4.97 105.19 102.57 2pdd n GLY 23 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.37 2.61 1.35 -1.93 -3.45 112.91 108.12 2pdd h THR 24 Ca 0.00 -0.90 -0.60 0.00 -0.55 0.00 0.00 66.41 64.36 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 -0.75 -0.83 -0.25 0.00 0.00 175.52 173.69 2pdd s GLY 25 N -3.53 1.28 -1.17 5.82 0.00 -1.26 -5.02 107.32 103.44 2pdd s GLY 25 Ca -0.03 -1.73 -0.09 0.00 0.00 0.00 0.00 44.72 42.87 2pdd s GLY 25 CO 0.04 1.32 2.38 0.58 0.00 0.00 0.00 173.10 177.42 2pdd n LYS 26 N 4.70 2.61 0.00 2.90 2.85 -1.26 -2.62 118.16 127.34 2pdd n LYS 26 Ca -0.03 -1.80 0.00 0.00 -1.05 0.00 0.00 58.31 55.42 2pdd n LYS 26 Cb 0.43 -2.66 0.00 0.00 -0.65 0.00 0.00 35.03 32.15 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 4.40 0.00 0.00 -5.58 0.23 -1.26 -4.95 115.26 108.10 2pdd n ASN 27 Ca 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.62 2pdd n ASN 27 Cb 0.20 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 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 -0.28 2.01 4.83 0.00 -1.26 -0.58 105.19 109.91 2pdd n GLY 28 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.28 3.03 -2.22 1.61 5.12 -1.26 -4.53 116.66 117.13 2pdd n ARG 29 Ca 0.00 -3.72 -0.33 0.00 -1.93 0.00 0.00 57.85 51.87 2pdd n ARG 29 Cb 0.21 -2.22 -0.01 0.00 -1.16 0.00 0.00 32.46 29.29 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 -4.48 4.08 0.52 1.55 1.01 0.26 -3.98 120.40 119.36 2pdd s VAL 30 Ca 0.55 1.01 0.02 0.00 0.00 0.00 0.00 61.98 63.56 2pdd s VAL 30 Cb 0.45 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2pdd s VAL 30 CO 0.02 -0.55 0.10 -0.76 0.00 0.00 0.00 175.10 173.91 2pdd s LEU 31 N -4.26 2.36 0.12 3.92 1.43 -1.26 -4.94 118.68 116.04 2pdd s LEU 31 Ca 0.62 -1.57 -0.00 0.00 -1.03 0.00 0.00 54.13 52.15 2pdd s LEU 31 Cb -0.14 -0.83 -0.17 0.00 0.03 0.00 0.00 46.19 45.08 2pdd s LEU 31 CO 0.33 -0.94 1.25 0.50 0.23 0.00 0.00 176.35 177.73 2pdd h LYS 32 N 1.18 0.22 0.00 1.70 1.63 -1.95 -2.82 116.57 116.52 2pdd h LYS 32 Ca -0.42 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.07 2pdd h LYS 32 Cb 1.32 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.05 2pdd h LYS 32 CO 0.70 1.09 0.00 -1.91 -3.45 0.00 0.00 179.45 175.88 2pdd n GLU 33 N -3.56 0.07 0.08 1.90 4.07 -1.26 -2.52 120.64 119.43 2pdd n GLU 33 Ca -0.05 0.22 -0.03 0.00 -0.06 0.00 0.00 57.16 57.23 2pdd n GLU 33 Cb 0.92 -1.62 -0.02 0.00 -0.06 0.00 0.00 31.44 30.67 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2pdd h ASP 34 N 0.00 -0.19 -0.13 4.31 1.82 -1.81 -3.03 116.42 117.39 2pdd h ASP 34 Ca 0.00 0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.55 2pdd h ASP 34 Cb 0.40 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 2pdd h ASP 34 CO 0.00 -0.09 -0.24 0.40 -1.61 0.00 0.00 179.24 177.70 2pdd h ILE 35 N -0.31 1.27 -0.88 2.25 2.04 -1.42 -2.85 117.51 117.60 2pdd h ILE 35 Ca -0.02 -1.28 0.20 0.00 1.00 0.00 0.00 64.86 64.75 2pdd h ILE 35 Cb 0.17 1.30 -0.11 0.00 -0.74 0.00 0.00 36.82 37.43 2pdd h ILE 35 CO 0.04 0.41 0.42 0.44 0.00 0.00 0.00 178.15 179.46 2pdd h ASP 36 N 0.50 0.41 0.22 1.72 5.19 -1.59 0.43 116.42 123.30 2pdd h ASP 36 Ca 0.07 0.13 -0.12 0.00 -0.62 0.00 0.00 57.03 56.50 2pdd h ASP 36 Cb 0.68 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 2pdd h ASP 36 CO 0.05 0.08 -0.45 0.00 -3.12 0.00 0.00 179.24 175.80 2pdd h ALA 37 N 1.66 1.02 -0.00 3.45 0.00 -1.37 -2.61 119.26 121.41 2pdd h ALA 37 Ca 0.53 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pdd h ALA 37 Cb 0.93 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2pdd h ALA 37 CO -0.47 0.62 -0.01 0.35 0.00 0.00 0.00 179.25 179.75 2pdd h PHE 38 N 0.23 -0.02 0.00 0.00 3.57 -0.04 -1.97 116.94 118.72 2pdd h PHE 38 Ca 0.02 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2pdd h PHE 38 Cb 0.89 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2pdd h PHE 38 CO 0.02 -0.00 -0.33 1.25 -2.23 0.00 0.00 178.31 177.01 2pdd h LEU 39 N -0.00 0.00 -1.03 0.59 5.85 -1.64 -3.07 115.31 116.01 2pdd h LEU 39 Ca 0.00 0.00 0.30 0.00 0.84 0.00 0.00 57.88 59.02 2pdd h LEU 39 Cb 0.01 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 40.90 2pdd h LEU 39 CO -0.01 0.33 0.59 0.00 -0.34 0.00 0.00 178.44 179.02 2pdd h ALA 40 N 1.67 1.93 0.00 1.25 0.00 -0.95 -3.44 119.26 119.73 2pdd h ALA 40 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2pdd h ALA 40 Cb 0.67 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2pdd h ALA 40 CO 0.04 -0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.21 2pdd n GLY 41 N -1.31 -0.19 3.73 0.00 0.00 -1.11 -5.09 105.19 101.22 2pdd n GLY 41 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.06 1.58 0.00 -0.02 0.00 -1.12 -5.08 107.32 102.61 2pdd s GLY 42 Ca 0.00 1.59 0.09 0.00 0.00 0.00 0.00 44.72 46.39 2pdd s GLY 42 CO 0.00 2.75 0.98 0.00 0.00 0.00 0.00 173.10 176.82