#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdd n ILE 2 N 0.00 0.00 -0.87 1.34 -6.64 -1.26 -5.03 119.36 106.90 2pdd n ILE 2 Ca 0.00 -1.29 0.03 0.00 -1.77 0.00 0.00 62.75 59.72 2pdd n ILE 2 Cb 0.00 -0.51 -0.01 0.00 -1.44 0.00 0.00 39.64 37.68 2pdd n ILE 2 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2pdd n ALA 3 N -2.46 -1.21 -2.11 -1.28 0.00 -1.26 -4.72 120.51 107.47 2pdd n ALA 3 Ca -0.10 0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 2pdd n ALA 3 Cb 0.39 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.65 3.81 0.00 0.00 -1.94 -1.26 -4.91 119.30 114.35 2pdd s MET 4 Ca 0.00 0.58 0.00 0.00 -1.71 0.00 0.00 55.69 54.56 2pdd s MET 4 Cb 0.00 -2.33 0.00 0.00 2.01 0.00 0.00 34.83 34.51 2pdd s MET 4 CO 0.00 -0.10 0.35 -0.35 -0.01 0.00 0.00 175.02 174.92 2pdd n PRO 5 N -1.38 0.32 0.00 2.03 -0.04 -1.26 -2.23 135.00 132.44 2pdd n PRO 5 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2pdd n PRO 5 Cb 0.54 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2pdd n PRO 5 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2pdd n SER 6 N 0.94 0.00 -0.07 3.54 2.88 -1.26 -4.82 113.62 114.82 2pdd n SER 6 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2pdd n SER 6 Cb 0.16 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.53 2pdd n SER 6 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2pdd h VAL 7 N 0.00 1.15 -0.33 2.46 2.07 -1.83 -3.29 116.25 116.48 2pdd h VAL 7 Ca 0.00 -1.95 0.05 0.00 0.82 0.00 0.00 66.70 65.63 2pdd h VAL 7 Cb 0.00 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2pdd h VAL 7 CO 0.00 0.39 0.22 -0.09 0.02 0.00 0.00 177.57 178.11 2pdd h ARG 8 N -1.00 0.20 -0.93 1.57 2.43 -1.90 -1.33 114.38 113.41 2pdd h ARG 8 Ca -0.06 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2pdd h ARG 8 Cb 0.80 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 2pdd h ARG 8 CO -0.03 0.13 0.54 0.87 -1.51 0.00 0.00 179.97 179.97 2pdd h LYS 9 N 0.20 1.28 -0.20 0.20 1.79 -1.86 -2.31 116.57 115.66 2pdd h LYS 9 Ca 0.14 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2pdd h LYS 9 Cb 0.32 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2pdd h LYS 9 CO -0.02 0.91 0.10 -0.92 -1.08 0.00 0.00 179.45 178.44 2pdd h TYR 10 N 1.30 0.18 -0.89 -1.35 5.03 -1.31 -1.93 116.97 118.00 2pdd h TYR 10 Ca 0.33 0.01 0.19 0.00 2.58 0.00 0.00 58.73 61.84 2pdd h TYR 10 Cb -0.03 -0.05 -0.11 0.00 1.55 0.00 0.00 36.73 38.09 2pdd h TYR 10 CO 0.01 0.11 0.43 0.00 -1.32 0.00 0.00 178.16 177.38 2pdd h ALA 11 N 1.10 1.41 -0.57 1.82 0.00 -1.34 0.83 119.26 122.50 2pdd h ALA 11 Ca 0.08 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2pdd h ALA 11 Cb 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2pdd h ALA 11 CO -0.06 -0.23 0.30 0.00 0.00 0.00 0.00 179.25 179.26 2pdd h ARG 12 N 0.51 0.81 0.09 0.00 2.47 -1.02 1.20 114.38 118.44 2pdd h ARG 12 Ca 0.53 -0.11 0.02 0.00 -1.26 0.00 0.00 59.98 59.16 2pdd h ARG 12 Cb 0.91 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 29.04 2pdd h ARG 12 CO -0.46 0.64 -0.26 0.93 0.56 0.00 0.00 179.97 181.38 2pdd h GLU 13 N 0.78 -0.44 0.00 0.04 5.08 -0.36 -2.25 114.58 117.43 2pdd h GLU 13 Ca 0.20 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2pdd h GLU 13 Cb 0.08 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2pdd h GLU 13 CO -0.03 -0.29 0.00 0.87 -1.00 0.00 0.00 179.01 178.56 2pdd h LYS 14 N -0.45 0.00 -3.44 2.33 1.79 -1.33 -3.49 116.57 111.97 2pdd h LYS 14 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2pdd h LYS 14 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2pdd h LYS 14 CO -0.17 0.00 -0.12 0.41 -1.08 0.00 0.00 179.45 178.49 2pdd n GLY 15 N 1.10 -1.26 3.14 3.86 0.00 0.40 -5.09 105.19 107.34 2pdd n GLY 15 Ca 0.04 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.13 0.01 -0.81 1.61 1.01 -0.69 -5.00 120.40 115.41 2pdd s VAL 16 Ca 0.04 -0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 2pdd s VAL 16 Cb -0.01 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 36.03 2pdd s VAL 16 CO 0.15 -0.05 1.31 -0.62 0.00 0.00 0.00 175.10 175.89 2pdd s ASP 17 N -0.10 6.24 0.41 3.32 -1.08 -1.26 -4.72 116.67 119.48 2pdd s ASP 17 Ca -0.02 -0.71 0.27 0.00 -0.52 0.00 0.00 52.55 51.57 2pdd s ASP 17 Cb -0.02 -2.56 1.43 0.00 -1.46 0.00 0.00 42.92 40.31 2pdd s ASP 17 CO 0.01 -1.74 1.58 -0.29 0.52 0.00 0.00 175.17 175.24 2pdd h ILE 18 N 6.21 0.01 0.37 4.11 2.10 -1.96 -0.71 117.51 127.64 2pdd h ILE 18 Ca -0.16 -0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.76 2pdd h ILE 18 Cb 1.04 0.00 -0.02 0.00 -1.09 0.00 0.00 36.82 36.75 2pdd h ILE 18 CO 1.31 0.00 -0.38 0.03 -1.08 0.00 0.00 178.15 178.04 2pdd h ARG 19 N 0.01 -0.72 0.00 2.19 3.08 -1.93 -1.89 114.38 115.12 2pdd h ARG 19 Ca 0.87 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.97 2pdd h ARG 19 Cb 2.57 0.16 0.00 0.00 0.08 0.00 0.00 29.97 32.78 2pdd h ARG 19 CO -0.60 -0.48 0.39 -0.07 -1.07 0.00 0.00 179.97 178.14 2pdd h LEU 20 N -0.75 0.00 -9.89 3.04 3.38 -1.54 -3.41 115.31 106.14 2pdd h LEU 20 Ca -0.05 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.40 2pdd h LEU 20 Cb 0.65 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.46 2pdd h LEU 20 CO -0.05 0.00 0.59 -0.69 0.09 0.00 0.00 178.44 178.38 2pdd s VAL 21 N -3.72 2.88 -0.39 1.22 1.01 -0.71 -4.97 120.40 115.71 2pdd s VAL 21 Ca -0.02 0.84 0.09 0.00 0.00 0.00 0.00 61.98 62.89 2pdd s VAL 21 Cb 0.06 -3.52 0.27 0.00 0.00 0.00 0.00 36.38 33.19 2pdd s VAL 21 CO 0.18 0.17 0.57 0.00 0.00 0.00 0.00 175.10 176.01 2pdd n GLN 22 N 0.61 0.78 0.00 2.72 1.13 -1.26 -4.58 117.38 116.78 2pdd n GLN 22 Ca 0.01 -3.27 0.00 0.00 -1.94 0.00 0.00 57.00 51.80 2pdd n GLN 22 Cb 0.43 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.45 2pdd n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pdd n GLY 23 N 1.15 0.94 0.15 1.08 0.00 -1.26 -4.90 105.19 102.36 2pdd n GLY 23 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 1.40 -1.24 2.61 1.35 -1.94 -3.45 112.91 111.64 2pdd h THR 24 Ca 0.00 -1.91 0.07 0.00 -0.55 0.00 0.00 66.41 64.02 2pdd h THR 24 Cb 0.00 2.36 -0.21 0.00 -1.73 0.00 0.00 68.15 68.57 2pdd h THR 24 CO 0.00 0.56 -0.26 -0.83 -0.25 0.00 0.00 175.52 174.75 2pdd s GLY 25 N -3.96 -0.92 -0.40 5.82 0.00 -1.26 -5.03 107.32 101.57 2pdd s GLY 25 Ca -0.13 1.89 -0.06 0.00 0.00 0.00 0.00 44.72 46.43 2pdd s GLY 25 CO 0.82 3.28 2.85 0.58 0.00 0.00 0.00 173.10 180.63 2pdd n LYS 26 N 5.43 2.00 -0.70 2.90 2.85 -1.26 -3.11 118.16 126.28 2pdd n LYS 26 Ca -0.03 -1.12 0.00 0.00 -1.05 0.00 0.00 58.31 56.11 2pdd n LYS 26 Cb 0.51 -2.12 0.00 0.00 -0.65 0.00 0.00 35.03 32.76 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 2.99 0.00 0.12 -5.58 0.23 -1.26 -4.96 115.26 106.80 2pdd n ASN 27 Ca 0.43 -0.41 0.04 0.00 -0.53 0.00 0.00 54.58 54.11 2pdd n ASN 27 Cb 0.56 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.47 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 -0.46 2.21 4.83 0.00 -1.26 -0.30 105.19 110.20 2pdd n GLY 28 Ca 0.00 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.79 2.42 -2.62 1.61 3.00 -1.26 -4.66 116.66 113.36 2pdd n ARG 29 Ca -0.01 -3.15 -0.34 0.00 -0.01 0.00 0.00 57.85 54.35 2pdd n ARG 29 Cb 0.37 -2.20 -0.05 0.00 0.00 0.00 0.00 32.46 30.58 2pdd n ARG 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2pdd s VAL 30 N -3.90 4.00 0.49 1.55 1.01 0.59 -4.26 120.40 119.88 2pdd s VAL 30 Ca 0.59 1.23 0.07 0.00 0.00 0.00 0.00 61.98 63.87 2pdd s VAL 30 Cb 0.49 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2pdd s VAL 30 CO 0.06 -0.28 0.42 -0.76 0.00 0.00 0.00 175.10 174.54 2pdd s LEU 31 N -3.42 3.02 0.08 3.92 1.02 -1.26 -5.00 118.68 117.05 2pdd s LEU 31 Ca 0.65 -1.01 -0.10 0.00 0.02 0.00 0.00 54.13 53.69 2pdd s LEU 31 Cb -0.14 -1.57 -0.23 0.00 0.02 0.00 0.00 46.19 44.28 2pdd s LEU 31 CO 0.18 -0.93 1.18 0.50 0.02 0.00 0.00 176.35 177.30 2pdd h LYS 32 N 0.84 0.53 0.00 1.70 3.64 -1.97 -2.88 116.57 118.43 2pdd h LYS 32 Ca -0.38 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 58.33 2pdd h LYS 32 Cb 1.28 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 2pdd h LYS 32 CO 0.56 1.28 0.00 -1.91 -2.27 0.00 0.00 179.45 177.11 2pdd n GLU 33 N -3.75 0.17 0.32 1.90 2.13 -1.26 -2.93 120.64 117.22 2pdd n GLU 33 Ca -0.11 0.11 -0.16 0.00 0.66 0.00 0.00 57.16 57.67 2pdd n GLU 33 Cb 0.94 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 31.07 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 -0.70 0.68 4.31 1.82 -1.81 -2.79 116.42 117.93 2pdd h ASP 34 Ca 0.00 -0.03 -0.12 0.00 -0.39 0.00 0.00 57.03 56.50 2pdd h ASP 34 Cb 0.26 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 2pdd h ASP 34 CO 0.00 -0.37 -0.55 0.40 -1.61 0.00 0.00 179.24 177.11 2pdd h ILE 35 N -1.04 1.30 -0.78 2.25 2.04 -1.38 -3.03 117.51 116.87 2pdd h ILE 35 Ca -0.08 -1.96 0.12 0.00 1.00 0.00 0.00 64.86 63.94 2pdd h ILE 35 Cb 0.68 2.08 -0.08 0.00 -0.74 0.00 0.00 36.82 38.76 2pdd h ILE 35 CO 0.14 0.54 0.38 -0.78 0.00 0.00 0.00 178.15 178.43 2pdd h ASP 36 N 0.00 0.47 0.04 1.72 1.82 -1.46 0.42 116.42 119.42 2pdd h ASP 36 Ca -0.01 0.08 -0.13 0.00 -0.39 0.00 0.00 57.03 56.59 2pdd h ASP 36 Cb 1.04 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.05 2pdd h ASP 36 CO 0.07 0.23 -0.42 0.00 -1.61 0.00 0.00 179.24 177.51 2pdd h ALA 37 N 1.50 0.90 -0.09 -0.78 0.00 -1.38 -2.35 119.26 117.07 2pdd h ALA 37 Ca 0.41 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2pdd h ALA 37 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2pdd h ALA 37 CO -0.33 0.64 -0.08 0.35 0.00 0.00 0.00 179.25 179.83 2pdd h PHE 38 N 0.40 -0.25 0.04 0.00 3.57 -0.84 -3.30 116.94 116.56 2pdd h PHE 38 Ca 0.03 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2pdd h PHE 38 Cb 0.90 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2pdd h PHE 38 CO 0.03 -0.06 -0.02 1.25 -2.23 0.00 0.00 178.31 177.28 2pdd h LEU 39 N -0.04 -0.05 0.00 0.59 6.46 -1.62 -3.46 115.31 117.19 2pdd h LEU 39 Ca 0.01 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.62 2pdd h LEU 39 Cb 0.07 0.01 0.08 0.00 -0.73 0.00 0.00 40.66 40.10 2pdd h LEU 39 CO -0.10 0.01 0.01 0.00 -0.62 0.00 0.00 178.44 177.74 2pdd n ALA 40 N -2.10 -1.58 -2.68 1.25 0.00 -0.88 -5.02 120.51 109.49 2pdd n ALA 40 Ca -0.01 -0.63 -0.05 0.00 0.00 0.00 0.00 53.44 52.76 2pdd n ALA 40 Cb 0.02 -0.05 0.11 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.99 1.38 3.32 0.00 0.00 -1.26 -4.51 105.19 103.12 2pdd n GLY 41 Ca 0.06 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.88 2.03 0.00 -0.02 0.00 -1.26 -5.14 105.19 99.91 2pdd n GLY 42 Ca -0.09 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.00 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32