#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 -1.40 -1.28 -1.28 0.00 -1.26 -4.79 120.51 110.50 2pdd n ALA 3 Ca 0.00 0.35 -0.37 0.00 0.00 0.00 0.00 53.44 53.42 2pdd n ALA 3 Cb 0.00 -1.12 0.05 0.00 0.00 0.00 0.00 19.45 18.38 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 2.34 0.27 -1.04 0.00 2.81 -1.26 -4.64 117.12 115.60 2pdd n MET 4 Ca -0.06 0.12 -0.36 0.00 -1.81 0.00 0.00 57.70 55.59 2pdd n MET 4 Cb 0.09 -1.60 -0.10 0.00 -0.71 0.00 0.00 33.22 30.90 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 0.04 0.52 0.00 0.03 -0.04 -1.26 -2.43 135.00 131.85 2pdd n PRO 5 Ca 0.09 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 2pdd n PRO 5 Cb 0.49 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 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 11.65 0.00 0.00 3.54 3.41 -1.26 -5.03 113.62 125.92 2pdd n SER 6 Ca 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2pdd n SER 6 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.00 0.00 -0.28 -3.33 0.31 -1.02 -4.58 118.33 109.43 2pdd n VAL 7 Ca 0.00 0.16 0.05 0.00 -0.01 0.00 0.00 64.34 64.53 2pdd n VAL 7 Cb 0.00 -1.14 0.27 0.00 -0.91 0.00 0.00 33.84 32.06 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 0.94 -0.60 5.55 2.43 -1.87 -2.02 114.38 118.81 2pdd h ARG 8 Ca 0.00 -0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.22 2pdd h ARG 8 Cb 0.00 -0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 29.26 2pdd h ARG 8 CO 0.00 0.62 0.16 0.87 -1.51 0.00 0.00 179.97 180.11 2pdd h LYS 9 N 0.96 0.29 -0.45 0.20 1.57 -1.88 0.16 116.57 117.42 2pdd h LYS 9 Ca 0.37 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.21 2pdd h LYS 9 Cb 0.22 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 2pdd h LYS 9 CO -0.14 0.19 0.09 -0.92 -0.57 0.00 0.00 179.45 178.10 2pdd h TYR 10 N 0.30 0.14 -0.78 -1.35 5.03 -1.61 -0.75 116.97 117.94 2pdd h TYR 10 Ca 0.31 0.03 0.17 0.00 2.58 0.00 0.00 58.73 61.82 2pdd h TYR 10 Cb 0.44 0.00 -0.11 0.00 1.55 0.00 0.00 36.73 38.62 2pdd h TYR 10 CO -0.22 0.00 0.27 0.00 -1.32 0.00 0.00 178.16 176.89 2pdd h ALA 11 N 1.35 1.11 -0.67 1.82 0.00 -0.92 0.89 119.26 122.83 2pdd h ALA 11 Ca 0.22 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.33 2pdd h ALA 11 Cb 0.28 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2pdd h ALA 11 CO -0.29 -0.30 0.39 0.00 0.00 0.00 0.00 179.25 179.05 2pdd h ARG 12 N 0.35 0.71 -0.49 0.00 2.47 -0.47 0.56 114.38 117.51 2pdd h ARG 12 Ca 0.45 -0.04 0.07 0.00 -1.26 0.00 0.00 59.98 59.20 2pdd h ARG 12 Cb 0.78 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.91 2pdd h ARG 12 CO -0.49 0.47 0.33 0.93 0.56 0.00 0.00 179.97 181.77 2pdd h GLU 13 N 0.73 0.37 0.00 0.04 5.08 -0.45 0.11 114.58 120.47 2pdd h GLU 13 Ca 0.29 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2pdd h GLU 13 Cb 0.13 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2pdd h GLU 13 CO -0.15 0.25 -0.68 1.63 -1.00 0.00 0.00 179.01 179.05 2pdd n LYS 14 N -4.47 0.00 -0.83 2.33 4.76 -0.30 -4.93 118.16 114.73 2pdd n LYS 14 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2pdd n LYS 14 Cb 0.28 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 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 1.50 0.97 3.68 0.72 0.00 0.18 -4.96 105.19 107.28 2pdd n GLY 15 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.38 3.75 -0.55 1.61 1.01 -0.84 -4.94 120.40 117.06 2pdd s VAL 16 Ca 0.00 1.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.80 2pdd s VAL 16 Cb 0.00 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2pdd s VAL 16 CO 0.00 -0.02 1.36 -0.62 0.00 0.00 0.00 175.10 175.82 2pdd s ASP 17 N 2.00 6.23 0.31 3.32 -1.08 -1.26 -4.48 116.67 121.70 2pdd s ASP 17 Ca 0.64 0.30 0.12 0.00 -0.52 0.00 0.00 52.55 53.09 2pdd s ASP 17 Cb -0.31 -2.55 0.99 0.00 -1.46 0.00 0.00 42.92 39.60 2pdd s ASP 17 CO 0.26 -1.62 1.40 0.00 0.52 0.00 0.00 175.17 175.73 2pdd n ILE 18 N 6.84 -0.37 -0.07 4.11 3.06 -1.26 -0.52 119.36 131.14 2pdd n ILE 18 Ca 0.12 1.87 -0.09 0.00 -2.50 0.00 0.00 62.75 62.15 2pdd n ILE 18 Cb 0.49 -2.91 -0.03 0.00 0.54 0.00 0.00 39.64 37.73 2pdd n ILE 18 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 2pdd h ARG 19 N 0.00 -0.31 -0.89 9.51 2.43 -1.90 -1.37 114.38 121.84 2pdd h ARG 19 Ca 0.67 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 60.00 2pdd h ARG 19 Cb 1.65 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 31.18 2pdd h ARG 19 CO -0.75 -0.21 0.49 -0.07 -1.51 0.00 0.00 179.97 177.93 2pdd h LEU 20 N -0.32 0.65 -9.44 3.80 3.38 -1.21 -3.42 115.31 108.75 2pdd h LEU 20 Ca 0.14 0.08 -0.60 0.00 0.09 0.00 0.00 57.88 57.58 2pdd h LEU 20 Cb 0.55 -0.04 0.14 0.00 0.09 0.00 0.00 40.66 41.40 2pdd h LEU 20 CO -0.47 0.30 -0.18 0.52 0.09 0.00 0.00 178.44 178.70 2pdd n VAL 21 N -4.79 2.06 -3.17 1.22 0.31 -0.52 -4.94 118.33 108.50 2pdd n VAL 21 Ca 0.17 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.81 2pdd n VAL 21 Cb 0.41 -0.75 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 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 0.43 1.18 0.00 5.55 7.27 -1.26 -4.64 117.38 125.91 2pdd n GLN 22 Ca 0.11 -3.52 0.00 0.00 0.07 0.00 0.00 57.00 53.66 2pdd n GLN 22 Cb 0.38 -1.73 0.00 0.00 2.41 0.00 0.00 30.24 31.31 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 0.32 1.27 0.07 1.69 0.00 -1.26 -4.89 105.19 102.39 2pdd n GLY 23 Ca 0.25 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 1.72 -2.01 2.61 1.35 -1.95 -3.45 112.91 111.18 2pdd h THR 24 Ca 0.00 -2.12 -0.19 0.00 -0.55 0.00 0.00 66.41 63.55 2pdd h THR 24 Cb 0.00 3.16 -0.31 0.00 -1.73 0.00 0.00 68.15 69.27 2pdd h THR 24 CO 0.00 0.55 -0.51 -0.83 -0.25 0.00 0.00 175.52 174.48 2pdd s GLY 25 N -4.03 -0.33 0.00 5.82 0.00 -1.26 -5.02 107.32 102.51 2pdd s GLY 25 Ca -0.18 0.73 -0.02 0.00 0.00 0.00 0.00 44.72 45.25 2pdd s GLY 25 CO 0.69 2.58 2.09 0.58 0.00 0.00 0.00 173.10 179.03 2pdd n LYS 26 N 5.35 1.08 -0.96 2.90 2.85 -1.26 -3.52 118.16 124.60 2pdd n LYS 26 Ca -0.04 -0.28 0.00 0.00 -1.05 0.00 0.00 58.31 56.94 2pdd n LYS 26 Cb 0.50 -1.38 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 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 1.95 1.91 0.00 -5.58 6.94 -1.26 -4.91 115.26 114.30 2pdd n ASN 27 Ca 0.12 -0.49 0.00 0.00 -0.02 0.00 0.00 54.58 54.19 2pdd n ASN 27 Cb 0.52 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 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 5.00 -0.20 2.24 4.83 0.00 -1.26 -1.82 105.19 113.97 2pdd n GLY 28 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.19 3.18 -1.83 1.61 5.12 -1.26 -4.06 116.66 118.22 2pdd n ARG 29 Ca 0.00 -3.80 -0.32 0.00 -1.93 0.00 0.00 57.85 51.80 2pdd n ARG 29 Cb 0.01 -2.28 0.03 0.00 -1.16 0.00 0.00 32.46 29.06 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 -4.79 3.75 0.47 1.55 1.01 -0.76 -4.57 120.40 117.05 2pdd s VAL 30 Ca 0.56 0.74 0.08 0.00 0.00 0.00 0.00 61.98 63.36 2pdd s VAL 30 Cb 0.45 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 33.53 2pdd s VAL 30 CO -0.03 -0.57 0.46 -0.76 0.00 0.00 0.00 175.10 174.20 2pdd s LEU 31 N -4.91 3.24 0.08 3.92 1.02 -1.26 -5.02 118.68 115.75 2pdd s LEU 31 Ca 0.62 -0.83 -0.11 0.00 0.02 0.00 0.00 54.13 53.83 2pdd s LEU 31 Cb -0.16 -1.88 -0.23 0.00 0.02 0.00 0.00 46.19 43.94 2pdd s LEU 31 CO 0.43 -0.86 1.18 0.50 0.02 0.00 0.00 176.35 177.62 2pdd h LYS 32 N 0.81 0.58 0.00 1.70 3.64 -1.96 -2.94 116.57 118.40 2pdd h LYS 32 Ca -0.39 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.29 2pdd h LYS 32 Cb 1.28 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 2pdd h LYS 32 CO 0.54 1.30 0.00 0.39 -2.27 0.00 0.00 179.45 179.40 2pdd n GLU 33 N -3.78 0.60 0.17 1.90 -0.58 -1.26 -3.09 120.64 114.60 2pdd n GLU 33 Ca -0.11 0.02 -0.13 0.00 -0.42 0.00 0.00 57.16 56.52 2pdd n GLU 33 Cb 0.92 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.22 2pdd n GLU 33 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2pdd h ASP 34 N 0.00 -0.38 0.20 1.62 1.82 -1.84 -2.78 116.42 115.06 2pdd h ASP 34 Ca 0.00 -0.16 -0.23 0.00 -0.39 0.00 0.00 57.03 56.25 2pdd h ASP 34 Cb 0.12 0.10 0.01 0.00 0.68 0.00 0.00 39.33 40.24 2pdd h ASP 34 CO 0.00 -0.01 -0.90 0.40 -1.61 0.00 0.00 179.24 177.12 2pdd h ILE 35 N -0.81 1.36 -0.98 2.25 2.04 -1.53 -2.97 117.51 116.87 2pdd h ILE 35 Ca -0.05 -2.29 0.20 0.00 1.00 0.00 0.00 64.86 63.71 2pdd h ILE 35 Cb 0.52 2.30 -0.11 0.00 -0.74 0.00 0.00 36.82 38.79 2pdd h ILE 35 CO 0.08 0.70 0.57 -0.78 0.00 0.00 0.00 178.15 178.71 2pdd h ASP 36 N 0.31 0.70 0.24 1.72 3.58 -1.60 0.35 116.42 121.72 2pdd h ASP 36 Ca -0.08 0.11 -0.15 0.00 0.42 0.00 0.00 57.03 57.33 2pdd h ASP 36 Cb 1.53 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.56 2pdd h ASP 36 CO 0.16 0.22 -0.56 0.00 -2.88 0.00 0.00 179.24 176.18 2pdd h ALA 37 N 1.65 0.83 -0.02 -0.78 0.00 -1.45 -2.67 119.26 116.83 2pdd h ALA 37 Ca 0.57 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pdd h ALA 37 Cb 0.93 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2pdd h ALA 37 CO -0.41 0.70 -0.02 0.35 0.00 0.00 0.00 179.25 179.87 2pdd h PHE 38 N 0.26 -0.06 0.28 0.00 3.57 -0.13 -3.23 116.94 117.63 2pdd h PHE 38 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2pdd h PHE 38 Cb 1.07 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2pdd h PHE 38 CO 0.03 -0.02 -0.14 1.25 -2.23 0.00 0.00 178.31 177.21 2pdd h LEU 39 N -0.01 -0.32 -9.41 0.59 7.12 -1.64 -3.36 115.31 108.27 2pdd h LEU 39 Ca 0.00 0.01 -0.54 0.00 0.13 0.00 0.00 57.88 57.48 2pdd h LEU 39 Cb 0.02 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2pdd h LEU 39 CO -0.02 -0.16 0.78 0.00 -0.13 0.00 0.00 178.44 178.90 2pdd s ALA 40 N -3.77 3.56 -0.38 1.25 0.00 -1.00 -4.05 121.76 117.37 2pdd s ALA 40 Ca -0.06 0.91 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 2pdd s ALA 40 Cb 0.01 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.58 2pdd s ALA 40 CO 0.17 -0.80 0.44 0.41 0.00 0.00 0.00 175.76 175.97 2pdd n GLY 41 N 3.56 -1.64 3.00 0.00 0.00 -1.26 -4.19 105.19 104.67 2pdd n GLY 41 Ca 0.12 0.99 -0.05 0.00 0.00 0.00 0.00 46.02 47.08 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 -2.08 -0.82 0.00 -0.02 0.00 -1.25 -4.55 107.32 98.60 2pdd s GLY 42 Ca 0.20 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.35 2pdd s GLY 42 CO 0.74 3.28 0.00 0.00 0.00 0.00 0.00 173.10 177.12