#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 1.99 1.00 1.55 -1.09 -1.26 -4.81 121.20 118.58 2pdd s ILE 2 Ca 0.00 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.25 2pdd s ILE 2 Cb 0.00 -2.90 0.26 0.00 -1.58 0.00 0.00 42.46 38.24 2pdd s ILE 2 CO 0.00 0.00 0.62 0.00 -1.23 0.00 0.00 174.94 174.33 2pdd n ALA 3 N -3.55 -3.47 -1.77 9.38 0.00 -1.26 -4.94 120.51 114.90 2pdd n ALA 3 Ca 0.08 -1.07 -0.35 0.00 0.00 0.00 0.00 53.44 52.09 2pdd n ALA 3 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -4.48 3.36 -0.72 0.00 -1.94 -1.26 -4.83 119.30 109.42 2pdd s MET 4 Ca 0.47 1.64 -0.27 0.00 -1.71 0.00 0.00 55.69 55.83 2pdd s MET 4 Cb -0.08 -2.03 -0.24 0.00 2.01 0.00 0.00 34.83 34.49 2pdd s MET 4 CO 0.39 -0.85 1.89 -0.35 -0.01 0.00 0.00 175.02 176.08 2pdd n PRO 5 N -1.26 0.57 0.00 2.03 -0.04 -1.26 -2.04 135.00 133.01 2pdd n PRO 5 Ca 0.11 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 2pdd n PRO 5 Cb 0.51 -3.30 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 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 13.61 0.00 0.04 3.54 2.88 -1.26 -4.99 113.62 127.44 2pdd n SER 6 Ca 0.45 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.96 2pdd n SER 6 Cb 0.44 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.00 -0.10 2.46 2.07 -1.77 -2.93 116.25 115.99 2pdd h VAL 7 Ca 0.00 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2pdd h VAL 7 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2pdd h VAL 7 CO 0.00 0.00 0.05 -0.09 0.02 0.00 0.00 177.57 177.55 2pdd h ARG 8 N -1.04 0.14 -0.96 1.57 2.43 -1.93 -2.46 114.38 112.13 2pdd h ARG 8 Ca -0.02 -0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.31 2pdd h ARG 8 Cb 0.15 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.59 2pdd h ARG 8 CO 0.03 0.21 0.61 0.87 -1.51 0.00 0.00 179.97 180.18 2pdd h LYS 9 N 0.03 0.66 -0.35 0.20 1.57 -1.89 0.13 116.57 116.92 2pdd h LYS 9 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2pdd h LYS 9 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2pdd h LYS 9 CO -0.00 0.44 0.20 -0.92 -0.57 0.00 0.00 179.45 178.59 2pdd h TYR 10 N 0.68 0.48 -0.81 -1.35 5.03 -1.25 -2.23 116.97 117.53 2pdd h TYR 10 Ca 0.51 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.96 2pdd h TYR 10 Cb 0.89 -0.15 -0.09 0.00 1.55 0.00 0.00 36.73 38.92 2pdd h TYR 10 CO -0.00 0.38 0.39 0.00 -1.32 0.00 0.00 178.16 177.60 2pdd h ALA 11 N 1.06 1.20 -0.59 1.82 0.00 -0.43 -0.21 119.26 122.12 2pdd h ALA 11 Ca 0.12 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2pdd h ALA 11 Cb 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2pdd h ALA 11 CO -0.02 -0.13 0.29 0.00 0.00 0.00 0.00 179.25 179.39 2pdd h ARG 12 N 0.56 0.53 -0.82 0.00 3.08 -0.79 0.83 114.38 117.77 2pdd h ARG 12 Ca 0.44 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.57 2pdd h ARG 12 Cb 0.64 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.49 2pdd h ARG 12 CO -0.37 0.35 0.45 0.93 -1.07 0.00 0.00 179.97 180.25 2pdd h GLU 13 N 0.54 0.70 -0.03 0.04 5.08 -0.77 0.25 114.58 120.40 2pdd h GLU 13 Ca 0.27 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2pdd h GLU 13 Cb 0.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2pdd h GLU 13 CO -0.20 0.46 0.00 1.63 -1.00 0.00 0.00 179.01 179.91 2pdd n LYS 14 N -4.79 1.68 -1.36 2.33 4.76 -0.50 -4.90 118.16 115.37 2pdd n LYS 14 Ca 0.14 -0.99 -0.13 0.00 -2.87 0.00 0.00 58.31 54.47 2pdd n LYS 14 Cb 0.32 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 31.98 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 1.17 1.23 3.74 0.72 0.00 0.27 -4.93 105.19 107.38 2pdd n GLY 15 Ca 0.19 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.14 4.18 -0.63 1.61 1.01 -0.02 -4.94 120.40 119.47 2pdd s VAL 16 Ca 0.00 1.98 -0.24 0.00 0.00 0.00 0.00 61.98 63.72 2pdd s VAL 16 Cb 0.00 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 32.17 2pdd s VAL 16 CO 0.00 0.39 1.03 -0.62 0.00 0.00 0.00 175.10 175.90 2pdd s ASP 17 N -0.53 6.25 0.33 3.32 2.15 -1.26 -4.47 116.67 122.45 2pdd s ASP 17 Ca 0.45 -0.59 0.10 0.00 0.43 0.00 0.00 52.55 52.94 2pdd s ASP 17 Cb -0.26 -2.46 0.98 0.00 -0.30 0.00 0.00 42.92 40.89 2pdd s ASP 17 CO 0.32 -1.44 1.62 -0.29 -0.17 0.00 0.00 175.17 175.21 2pdd h ILE 18 N 6.01 0.16 -0.34 4.11 2.10 -1.94 -1.33 117.51 126.28 2pdd h ILE 18 Ca -0.27 -0.05 0.04 0.00 1.08 0.00 0.00 64.86 65.66 2pdd h ILE 18 Cb 1.07 0.01 -0.08 0.00 -1.09 0.00 0.00 36.82 36.73 2pdd h ILE 18 CO 1.17 0.03 -0.55 -0.09 -1.08 0.00 0.00 178.15 177.62 2pdd h ARG 19 N 0.14 -0.43 -0.87 2.19 2.43 -1.90 -1.18 114.38 114.76 2pdd h ARG 19 Ca 0.69 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 60.00 2pdd h ARG 19 Cb 1.58 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 31.16 2pdd h ARG 19 CO -0.73 -0.29 0.56 -0.07 -1.51 0.00 0.00 179.97 177.94 2pdd h LEU 20 N -0.45 0.73 -9.46 3.80 3.38 -1.63 -3.43 115.31 108.25 2pdd h LEU 20 Ca 0.06 0.03 -0.60 0.00 0.09 0.00 0.00 57.88 57.45 2pdd h LEU 20 Cb 0.62 -0.12 0.12 0.00 0.09 0.00 0.00 40.66 41.36 2pdd h LEU 20 CO -0.55 0.41 0.04 0.52 0.09 0.00 0.00 178.44 178.95 2pdd n VAL 21 N -4.54 2.05 -3.17 1.22 0.31 -0.45 -4.94 118.33 108.82 2pdd n VAL 21 Ca 0.16 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.80 2pdd n VAL 21 Cb 0.36 -0.92 -0.03 0.00 -0.91 0.00 0.00 33.84 32.34 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 0.62 0.92 0.00 5.55 7.27 -1.26 -4.64 117.38 125.84 2pdd n GLN 22 Ca 0.10 -3.28 0.00 0.00 0.07 0.00 0.00 57.00 53.90 2pdd n GLN 22 Cb 0.34 -1.58 0.00 0.00 2.41 0.00 0.00 30.24 31.41 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 0.53 1.86 0.14 1.69 0.00 -1.26 -4.77 105.19 103.37 2pdd n GLY 23 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 1.43 -0.69 2.61 1.35 -1.94 -3.48 112.91 112.19 2pdd h THR 24 Ca 0.00 -2.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 2pdd h THR 24 Cb 0.00 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2pdd h THR 24 CO 0.00 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 2pdd n GLY 25 N 1.27 5.04 1.84 5.82 0.00 -1.26 -5.08 105.19 112.83 2pdd n GLY 25 Ca -0.09 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 2pdd n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2pdd n LYS 26 N 0.00 0.67 0.00 1.61 4.81 -1.26 -4.33 118.16 119.67 2pdd n LYS 26 Ca 0.00 -0.91 0.00 0.00 -0.87 0.00 0.00 58.31 56.53 2pdd n LYS 26 Cb 0.00 0.41 0.00 0.00 0.02 0.00 0.00 35.03 35.46 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 -0.77 0.00 0.23 3.14 0.23 -1.26 -4.90 115.26 111.93 2pdd n ASN 27 Ca -0.18 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.01 2pdd n ASN 27 Cb 0.73 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.98 2pdd n ASN 27 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2pdd h GLY 28 N 0.00 0.00 -3.46 4.83 0.00 -1.98 0.22 103.07 102.67 2pdd h GLY 28 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 2pdd h GLY 28 CO 0.00 0.00 0.50 0.54 0.00 0.00 0.00 176.54 177.58 2pdd n ARG 29 N -2.98 1.95 -2.55 4.80 3.00 -1.26 -4.47 116.66 115.14 2pdd n ARG 29 Ca 0.03 -2.05 -0.31 0.00 -0.01 0.00 0.00 57.85 55.51 2pdd n ARG 29 Cb 0.72 -1.80 -0.03 0.00 0.00 0.00 0.00 32.46 31.34 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 -2.60 4.66 0.47 1.55 1.01 0.77 -4.35 120.40 121.90 2pdd s VAL 30 Ca 0.40 0.93 0.08 0.00 0.00 0.00 0.00 61.98 63.38 2pdd s VAL 30 Cb 0.32 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.98 2pdd s VAL 30 CO 0.04 -0.66 0.52 -0.76 0.00 0.00 0.00 175.10 174.24 2pdd s LEU 31 N -4.07 3.28 0.02 3.92 2.01 -1.26 -4.98 118.68 117.60 2pdd s LEU 31 Ca 0.55 -0.77 -0.19 0.00 0.01 0.00 0.00 54.13 53.73 2pdd s LEU 31 Cb -0.10 -1.97 -0.22 0.00 0.01 0.00 0.00 46.19 43.91 2pdd s LEU 31 CO 0.33 -0.90 1.14 0.50 1.01 0.00 0.00 176.35 178.42 2pdd h LYS 32 N 0.70 0.46 0.00 1.70 1.63 -1.98 -2.92 116.57 116.16 2pdd h LYS 32 Ca -0.38 -0.46 0.00 0.00 -0.85 0.00 0.00 60.65 58.96 2pdd h LYS 32 Cb 1.28 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.03 2pdd h LYS 32 CO 0.51 1.11 0.00 -1.91 -3.45 0.00 0.00 179.45 175.71 2pdd n GLU 33 N -4.19 0.18 0.38 1.90 2.13 -1.26 -3.16 120.64 116.62 2pdd n GLU 33 Ca -0.10 0.15 -0.17 0.00 0.66 0.00 0.00 57.16 57.70 2pdd n GLU 33 Cb 0.67 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.80 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 -0.81 -0.09 4.31 1.82 -1.83 -2.72 116.42 117.09 2pdd h ASP 34 Ca 0.00 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.50 2pdd h ASP 34 Cb 0.19 0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 2pdd h ASP 34 CO 0.00 -0.49 -0.44 0.40 -1.61 0.00 0.00 179.24 177.10 2pdd h ILE 35 N -1.10 1.30 -0.86 2.25 2.04 -1.44 -3.00 117.51 116.70 2pdd h ILE 35 Ca -0.10 -1.63 0.20 0.00 1.00 0.00 0.00 64.86 64.34 2pdd h ILE 35 Cb 0.76 1.58 -0.12 0.00 -0.74 0.00 0.00 36.82 38.30 2pdd h ILE 35 CO 0.16 0.52 0.35 -0.78 0.00 0.00 0.00 178.15 178.40 2pdd h ASP 36 N 0.51 0.28 -0.08 1.72 3.58 -1.51 0.44 116.42 121.36 2pdd h ASP 36 Ca 0.04 0.15 -0.11 0.00 0.42 0.00 0.00 57.03 57.52 2pdd h ASP 36 Cb 0.97 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 2pdd h ASP 36 CO 0.09 0.01 -0.31 0.00 -2.88 0.00 0.00 179.24 176.15 2pdd h ALA 37 N 1.68 0.97 -0.10 -0.78 0.00 -1.35 -2.05 119.26 117.63 2pdd h ALA 37 Ca 0.52 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2pdd h ALA 37 Cb 0.96 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2pdd h ALA 37 CO -0.51 0.60 -0.11 0.35 0.00 0.00 0.00 179.25 179.58 2pdd h PHE 38 N 0.48 -0.34 0.02 0.00 3.57 -0.02 -3.32 116.94 117.32 2pdd h PHE 38 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2pdd h PHE 38 Cb 0.77 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.67 2pdd h PHE 38 CO 0.03 -0.09 -0.01 1.25 -2.23 0.00 0.00 178.31 177.26 2pdd h LEU 39 N -0.07 -0.02 -9.54 0.59 5.85 -1.60 -3.45 115.31 107.06 2pdd h LEU 39 Ca 0.02 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.15 2pdd h LEU 39 Cb 0.11 0.01 0.13 0.00 0.37 0.00 0.00 40.66 41.28 2pdd h LEU 39 CO -0.13 0.01 0.01 0.00 -0.34 0.00 0.00 178.44 178.00 2pdd n ALA 40 N -2.06 -0.32 0.98 1.25 0.00 -0.77 -4.79 120.51 114.81 2pdd n ALA 40 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2pdd n ALA 40 Cb 0.01 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 1.35 1.64 1.32 0.00 0.00 -1.26 -4.50 105.19 103.74 2pdd n GLY 41 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.18 0.61 0.00 -0.02 0.00 -1.26 -5.12 105.19 99.57 2pdd n GLY 42 Ca 0.00 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.46 2pdd n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32