#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 6.76 -0.02 -1.39 0.00 -1.16 -4.28 120.51 120.42 2pdd n ALA 3 Ca 0.00 -3.68 -0.01 0.00 0.00 0.00 0.00 53.44 49.74 2pdd n ALA 3 Cb 0.00 -3.43 -0.03 0.00 0.00 0.00 0.00 19.45 15.99 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 4.53 3.17 -1.69 0.00 2.81 -1.26 -3.60 117.12 121.09 2pdd n MET 4 Ca 0.68 -0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 56.39 2pdd n MET 4 Cb 0.29 -1.09 -0.11 0.00 -0.71 0.00 0.00 33.22 31.61 2pdd n MET 4 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 2pdd s PRO 5 N -2.10 1.40 -1.09 0.03 0.02 -1.26 -3.52 135.00 128.48 2pdd s PRO 5 Ca -0.02 -0.57 0.00 0.00 0.02 0.00 0.00 61.00 60.43 2pdd s PRO 5 Cb 0.01 -5.03 0.00 0.00 0.02 0.00 0.00 34.50 29.50 2pdd s PRO 5 CO 0.14 -5.26 0.00 0.43 -0.33 0.00 0.00 177.00 171.98 2pdd n SER 6 N 18.80 -3.89 -0.04 2.53 7.64 -1.26 -4.85 113.62 132.56 2pdd n SER 6 Ca 0.42 0.20 -0.03 0.00 1.01 0.00 0.00 58.87 60.48 2pdd n SER 6 Cb 0.47 -3.33 -0.01 0.00 -1.01 0.00 0.00 64.21 60.33 2pdd n SER 6 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2pdd h VAL 7 N 0.00 0.00 -0.54 0.44 2.07 -1.79 -3.32 116.25 113.11 2pdd h VAL 7 Ca -0.29 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 2pdd h VAL 7 Cb 1.18 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2pdd h VAL 7 CO 0.35 0.00 -0.00 -0.09 0.02 0.00 0.00 177.57 177.85 2pdd h ARG 8 N -0.63 0.96 -0.87 1.57 2.43 -1.83 -2.70 114.38 113.31 2pdd h ARG 8 Ca 0.00 -0.31 0.17 0.00 -0.81 0.00 0.00 59.98 59.04 2pdd h ARG 8 Cb 0.29 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 2pdd h ARG 8 CO 0.00 0.97 0.57 0.87 -1.51 0.00 0.00 179.97 180.87 2pdd h LYS 9 N 0.83 0.50 0.13 0.20 1.57 -1.89 -0.21 116.57 117.71 2pdd h LYS 9 Ca 0.15 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2pdd h LYS 9 Cb 0.54 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2pdd h LYS 9 CO 0.03 0.33 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.25 2pdd h TYR 10 N 0.51 -0.17 -0.89 -1.35 3.20 -1.58 -1.45 116.97 115.25 2pdd h TYR 10 Ca 0.45 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.50 2pdd h TYR 10 Cb 0.95 0.05 -0.11 0.00 1.54 0.00 0.00 36.73 39.16 2pdd h TYR 10 CO -0.00 0.03 0.45 0.00 -1.64 0.00 0.00 178.16 177.00 2pdd h ALA 11 N 0.51 1.41 -0.27 1.82 0.00 -1.01 0.02 119.26 121.74 2pdd h ALA 11 Ca -0.02 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2pdd h ALA 11 Cb 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2pdd h ALA 11 CO 0.03 -0.18 0.14 0.00 0.00 0.00 0.00 179.25 179.23 2pdd h ARG 12 N 0.56 0.39 -0.43 0.00 3.08 -0.90 0.67 114.38 117.76 2pdd h ARG 12 Ca 0.52 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.61 2pdd h ARG 12 Cb 0.86 -0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.75 2pdd h ARG 12 CO -0.43 0.37 -0.15 0.93 -1.07 0.00 0.00 179.97 179.62 2pdd h GLU 13 N 0.31 -0.06 0.00 0.04 5.08 0.08 -0.88 114.58 119.16 2pdd h GLU 13 Ca 0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 2pdd h GLU 13 Cb 0.10 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2pdd h GLU 13 CO -0.01 -0.04 -0.51 1.57 -1.00 0.00 0.00 179.01 179.02 2pdd h LYS 14 N -0.06 0.00 -0.49 2.33 2.10 -1.29 -3.48 116.57 115.68 2pdd h LYS 14 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2pdd h LYS 14 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2pdd h LYS 14 CO -0.48 0.51 0.00 0.41 -2.00 0.00 0.00 179.45 177.90 2pdd n GLY 15 N 1.08 0.67 3.19 0.07 0.00 0.21 -5.11 105.19 105.30 2pdd n GLY 15 Ca 0.02 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.16 0.05 -0.45 1.61 1.01 0.43 -4.98 120.40 115.90 2pdd s VAL 16 Ca 0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 2pdd s VAL 16 Cb 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.89 2pdd s VAL 16 CO 0.00 -0.24 0.54 -0.62 0.00 0.00 0.00 175.10 174.79 2pdd s ASP 17 N -1.03 6.24 0.33 3.32 -1.08 -1.26 -4.21 116.67 118.98 2pdd s ASP 17 Ca -0.11 -0.68 0.12 0.00 -0.52 0.00 0.00 52.55 51.36 2pdd s ASP 17 Cb -0.05 -2.27 1.04 0.00 -1.46 0.00 0.00 42.92 40.19 2pdd s ASP 17 CO 0.03 -0.73 1.62 -0.29 0.52 0.00 0.00 175.17 176.32 2pdd h ILE 18 N 5.81 0.16 0.10 4.11 2.10 -1.94 -0.53 117.51 127.32 2pdd h ILE 18 Ca -0.26 -0.05 0.02 0.00 1.08 0.00 0.00 64.86 65.64 2pdd h ILE 18 Cb 1.10 0.00 -0.05 0.00 -1.09 0.00 0.00 36.82 36.79 2pdd h ILE 18 CO 0.87 0.03 -0.42 0.03 -1.08 0.00 0.00 178.15 177.58 2pdd h ARG 19 N 0.15 -0.62 -0.43 2.19 3.08 -1.91 -0.99 114.38 115.84 2pdd h ARG 19 Ca 0.71 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.93 2pdd h ARG 19 Cb 1.68 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.85 2pdd h ARG 19 CO -0.72 -0.42 0.45 -0.07 -1.07 0.00 0.00 179.97 178.14 2pdd h LEU 20 N -0.65 0.00 -9.97 3.04 3.38 -1.51 -3.42 115.31 106.18 2pdd h LEU 20 Ca 0.02 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.46 2pdd h LEU 20 Cb 0.68 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.53 2pdd h LEU 20 CO -0.26 0.00 0.63 -0.69 0.09 0.00 0.00 178.44 178.21 2pdd s VAL 21 N -4.63 2.45 -0.41 1.22 1.01 -0.38 -4.97 120.40 114.69 2pdd s VAL 21 Ca -0.04 0.39 0.10 0.00 0.00 0.00 0.00 61.98 62.43 2pdd s VAL 21 Cb 0.16 -3.23 0.32 0.00 0.00 0.00 0.00 36.38 33.63 2pdd s VAL 21 CO 0.56 0.05 0.70 0.00 0.00 0.00 0.00 175.10 176.41 2pdd n GLN 22 N -0.10 1.25 0.00 2.72 1.13 -1.26 -4.57 117.38 116.54 2pdd n GLN 22 Ca 0.05 -3.58 0.00 0.00 -1.94 0.00 0.00 57.00 51.53 2pdd n GLN 22 Cb 0.43 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.11 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 0.53 1.31 0.12 1.08 0.00 -1.26 -4.88 105.19 102.08 2pdd n GLY 23 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 1.46 -1.33 2.61 1.35 -1.94 -3.44 112.91 111.62 2pdd h THR 24 Ca 0.00 -1.82 0.01 0.00 -0.55 0.00 0.00 66.41 64.05 2pdd h THR 24 Cb 0.00 2.49 -0.24 0.00 -1.73 0.00 0.00 68.15 68.67 2pdd h THR 24 CO 0.00 0.51 -0.33 -0.83 -0.25 0.00 0.00 175.52 174.62 2pdd s GLY 25 N -3.84 -0.80 -1.23 5.82 0.00 -1.26 -5.04 107.32 100.97 2pdd s GLY 25 Ca -0.15 1.57 -0.09 0.00 0.00 0.00 0.00 44.72 46.06 2pdd s GLY 25 CO 0.77 3.13 2.45 0.58 0.00 0.00 0.00 173.10 180.03 2pdd n LYS 26 N 5.41 2.75 -0.72 2.90 2.85 -1.26 -3.33 118.16 126.76 2pdd n LYS 26 Ca -0.02 -1.84 0.00 0.00 -1.05 0.00 0.00 58.31 55.40 2pdd n LYS 26 Cb 0.51 -2.66 0.00 0.00 -0.65 0.00 0.00 35.03 32.23 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 4.22 0.00 0.11 -5.58 0.23 -1.26 -4.96 115.26 108.02 2pdd n ASN 27 Ca 0.59 -0.48 0.04 0.00 -0.53 0.00 0.00 54.58 54.19 2pdd n ASN 27 Cb 0.20 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.10 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 2.12 4.83 0.00 -1.26 -0.40 105.19 110.02 2pdd n GLY 28 Ca 0.00 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.76 2.44 -2.57 1.61 3.00 -1.26 -2.97 116.66 115.15 2pdd n ARG 29 Ca -0.00 -3.21 -0.34 0.00 -0.01 0.00 0.00 57.85 54.29 2pdd n ARG 29 Cb 0.34 -2.18 -0.04 0.00 0.00 0.00 0.00 32.46 30.59 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 -3.93 3.83 0.47 1.55 1.01 0.46 -4.43 120.40 119.37 2pdd s VAL 30 Ca 0.58 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.78 2pdd s VAL 30 Cb 0.48 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 33.40 2pdd s VAL 30 CO 0.05 -0.24 0.43 -0.76 0.00 0.00 0.00 175.10 174.58 2pdd s LEU 31 N -3.43 3.14 0.12 3.92 1.02 -1.26 -4.75 118.68 117.44 2pdd s LEU 31 Ca 0.67 -0.92 -0.03 0.00 0.02 0.00 0.00 54.13 53.87 2pdd s LEU 31 Cb -0.16 -1.73 -0.14 0.00 0.02 0.00 0.00 46.19 44.18 2pdd s LEU 31 CO 0.20 -0.87 1.27 0.50 0.02 0.00 0.00 176.35 177.46 2pdd h LYS 32 N 0.85 0.33 0.00 1.70 3.64 -1.94 -2.79 116.57 118.37 2pdd h LYS 32 Ca -0.39 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.58 2pdd h LYS 32 Cb 1.28 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2pdd h LYS 32 CO 0.56 1.12 0.00 0.39 -2.27 0.00 0.00 179.45 179.24 2pdd n GLU 33 N -3.67 0.07 0.31 1.90 -0.58 -1.26 -3.11 120.64 114.30 2pdd n GLU 33 Ca -0.07 0.10 -0.16 0.00 -0.42 0.00 0.00 57.16 56.61 2pdd n GLU 33 Cb 0.89 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.18 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 -0.66 -0.40 1.62 1.82 -1.79 -2.82 116.42 114.18 2pdd h ASP 34 Ca 0.00 -0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.53 2pdd h ASP 34 Cb 0.36 0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 2pdd h ASP 34 CO 0.00 -0.35 0.00 0.40 -1.61 0.00 0.00 179.24 177.68 2pdd h ILE 35 N -0.97 1.24 -0.87 2.25 5.03 -1.41 -2.69 117.51 120.09 2pdd h ILE 35 Ca -0.08 -1.00 0.23 0.00 -0.12 0.00 0.00 64.86 63.89 2pdd h ILE 35 Cb 0.65 0.87 -0.14 0.00 -3.03 0.00 0.00 36.82 35.18 2pdd h ILE 35 CO 0.13 0.35 0.23 -0.78 -0.68 0.00 0.00 178.15 177.40 2pdd h ASP 36 N 0.74 -0.01 0.01 1.72 1.82 -1.46 0.84 116.42 120.09 2pdd h ASP 36 Ca 0.15 0.19 -0.10 0.00 -0.39 0.00 0.00 57.03 56.88 2pdd h ASP 36 Cb 0.45 0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 2pdd h ASP 36 CO 0.02 -0.15 -0.29 0.00 -1.61 0.00 0.00 179.24 177.21 2pdd h ALA 37 N 1.77 1.11 -0.31 -0.78 0.00 -1.23 -1.56 119.26 118.26 2pdd h ALA 37 Ca 0.54 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2pdd h ALA 37 Cb 1.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2pdd h ALA 37 CO -0.65 0.56 0.00 0.34 0.00 0.00 0.00 179.25 179.50 2pdd n PHE 38 N -4.10 0.00 0.05 0.00 7.35 0.29 -0.33 117.46 120.72 2pdd n PHE 38 Ca -0.01 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.57 2pdd n PHE 38 Cb 0.42 -0.45 -0.08 0.00 0.35 0.00 0.00 39.48 39.72 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 -0.17 0.00 -2.13 5.85 -1.61 -3.36 115.31 113.89 2pdd h LEU 39 Ca 0.00 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2pdd h LEU 39 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2pdd h LEU 39 CO 0.00 0.37 0.00 0.00 -0.34 0.00 0.00 178.44 178.47 2pdd n ALA 40 N -2.53 -0.16 -1.16 1.25 0.00 -0.59 -4.85 120.51 112.47 2pdd n ALA 40 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 2pdd n ALA 40 Cb 0.27 0.27 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.96 0.50 1.76 0.00 0.00 0.55 -4.69 105.19 102.35 2pdd n GLY 41 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.58 -5.01 0.00 -0.02 0.00 -1.26 -5.11 105.19 91.21 2pdd n GLY 42 Ca -0.02 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.61 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32