#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrj s SER 2 N 0.00 6.53 0.25 1.61 0.01 -1.26 -5.03 113.70 115.81 2yrj s SER 2 Ca 0.00 0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.57 2yrj s SER 2 Cb 0.00 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 2yrj s SER 2 CO 0.00 -0.77 0.07 -0.55 0.41 0.00 0.00 173.24 172.40 2yrj s SER 3 N 1.89 1.30 0.00 2.44 0.15 -1.26 -5.17 113.70 113.06 2yrj s SER 3 Ca 0.31 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.63 2yrj s SER 3 Cb -0.13 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2yrj s SER 3 CO 0.18 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2yrj n GLY 4 N -0.44 2.06 3.35 9.45 0.00 -1.26 -5.07 105.19 113.28 2yrj n GLY 4 Ca -0.02 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2yrj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrj s SER 5 N -0.91 5.72 0.30 1.61 1.04 -1.26 -5.07 113.70 115.15 2yrj s SER 5 Ca 0.00 -1.15 -0.29 0.00 0.48 0.00 0.00 55.95 54.99 2yrj s SER 5 Cb 0.00 -2.02 -0.10 0.00 0.10 0.00 0.00 66.02 64.00 2yrj s SER 5 CO 0.00 -0.44 1.43 -0.94 0.98 0.00 0.00 173.24 174.27 2yrj s SER 6 N 1.74 6.58 -0.87 7.02 1.04 -1.26 -4.91 113.70 123.05 2yrj s SER 6 Ca 0.02 2.79 -0.25 0.00 0.48 0.00 0.00 55.95 58.99 2yrj s SER 6 Cb -0.20 -2.64 0.03 0.00 0.10 0.00 0.00 66.02 63.30 2yrj s SER 6 CO 0.05 -0.72 1.48 -0.83 0.98 0.00 0.00 173.24 174.21 2yrj s GLY 7 N 0.04 0.90 -0.03 7.32 0.00 -1.26 -4.96 107.32 109.33 2yrj s GLY 7 Ca 0.56 -1.70 0.03 0.00 0.00 0.00 0.00 44.72 43.60 2yrj s GLY 7 CO 0.51 2.83 -0.11 -0.51 0.00 0.00 0.00 173.10 175.82 2yrj s THR 8 N 6.21 0.93 0.00 0.90 -4.23 -1.26 -5.15 115.64 113.04 2yrj s THR 8 Ca 0.47 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 2yrj s THR 8 Cb -0.05 -0.82 0.00 0.00 1.34 0.00 0.00 72.50 72.97 2yrj s THR 8 CO 0.03 0.29 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 2yrj n GLY 9 N 3.32 0.49 3.28 3.99 0.00 -1.26 -5.01 105.19 109.99 2yrj n GLY 9 Ca -0.19 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 2yrj n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yrj n GLU 10 N 0.00 -1.95 -3.97 1.61 1.02 -1.26 -4.87 120.64 111.22 2yrj n GLU 10 Ca 0.00 -0.55 -0.34 0.00 -0.02 0.00 0.00 57.16 56.25 2yrj n GLU 10 Cb 0.00 -1.75 -0.14 0.00 -0.02 0.00 0.00 31.44 29.53 2yrj n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2yrj s LYS 11 N -3.63 2.28 0.26 3.49 1.02 -1.26 -4.70 119.74 117.20 2yrj s LYS 11 Ca 0.57 -1.36 0.03 0.00 0.02 0.00 0.00 55.97 55.23 2yrj s LYS 11 Cb -0.13 -3.08 0.33 0.00 -0.52 0.00 0.00 37.83 34.43 2yrj s LYS 11 CO 0.64 -0.64 1.63 -1.00 -0.92 0.00 0.00 175.35 175.06 2yrj h PRO 12 N 7.89 0.35 -6.24 -1.68 0.13 -1.86 -3.43 132.00 127.16 2yrj h PRO 12 Ca -0.19 -0.19 -0.56 0.00 -0.87 0.00 0.00 66.00 64.20 2yrj h PRO 12 Cb 1.05 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 2yrj h PRO 12 CO 0.51 0.74 0.42 0.71 -0.23 0.00 0.00 178.00 180.15 2yrj s TYR 13 N -4.10 3.55 -0.10 1.56 1.51 -1.24 -5.00 117.35 113.53 2yrj s TYR 13 Ca -0.05 1.54 -0.01 0.00 -1.01 0.00 0.00 57.07 57.54 2yrj s TYR 13 Cb 0.13 -3.10 0.03 0.00 -0.11 0.00 0.00 41.96 38.90 2yrj s TYR 13 CO 0.80 -0.12 -0.05 0.50 -1.11 0.00 0.00 175.55 175.56 2yrj s ARG 14 N 1.58 1.21 0.70 -0.62 3.52 -1.26 -1.50 118.95 122.57 2yrj s ARG 14 Ca 0.47 -0.13 -0.17 0.00 -0.13 0.00 0.00 55.73 55.77 2yrj s ARG 14 Cb -0.19 -1.36 -0.07 0.00 -1.56 0.00 0.00 34.95 31.77 2yrj s ARG 14 CO 0.20 -0.27 0.31 0.00 -0.81 0.00 0.00 175.30 174.74 2yrj n GLY 16 N 1.95 -0.92 0.33 0.00 0.00 -1.26 -3.17 105.19 102.12 2yrj n GLY 16 Ca 0.09 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 2yrj n GLY 16 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2yrj h GLU 17 N 0.00 -0.80 0.02 1.61 4.57 -1.99 -3.39 114.58 114.60 2yrj h GLU 17 Ca -0.53 0.05 -0.40 0.00 -1.18 0.00 0.00 59.36 57.31 2yrj h GLU 17 Cb 2.17 0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 30.88 2yrj h GLU 17 CO 0.02 -0.53 -2.37 0.00 -1.18 0.00 0.00 179.01 174.95 2yrj n GLY 19 N 1.92 1.74 1.62 0.00 0.00 -1.19 -5.05 105.19 104.23 2yrj n GLY 19 Ca -0.46 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 2yrj n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yrj n LYS 20 N -0.09 -3.36 -3.74 1.61 5.02 -1.26 -4.43 118.16 111.91 2yrj n LYS 20 Ca 0.00 -0.75 -0.10 0.00 -2.02 0.00 0.00 58.31 55.44 2yrj n LYS 20 Cb 0.00 -0.95 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 2yrj n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yrj s ALA 21 N -2.14 -0.61 -0.18 7.82 0.00 -1.26 0.08 121.76 125.47 2yrj s ALA 21 Ca 0.34 -0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.76 2yrj s ALA 21 Cb -0.06 0.56 0.07 0.00 0.00 0.00 0.00 23.12 23.69 2yrj s ALA 21 CO 0.28 -0.56 0.69 -0.06 0.00 0.00 0.00 175.76 176.11 2yrj s PHE 22 N -3.68 -0.72 0.25 0.00 0.40 -0.57 -4.95 117.98 108.72 2yrj s PHE 22 Ca 0.03 1.57 -0.02 0.00 -0.60 0.00 0.00 56.93 57.91 2yrj s PHE 22 Cb 0.03 0.32 0.32 0.00 0.51 0.00 0.00 43.02 44.19 2yrj s PHE 22 CO -0.11 -0.46 1.74 0.00 0.70 0.00 0.00 175.22 177.10 2yrj h ALA 23 N 4.25 1.08 -4.00 5.36 0.00 -1.87 -3.29 119.26 120.78 2yrj h ALA 23 Ca -0.28 -0.28 -0.68 0.00 0.00 0.00 0.00 54.91 53.67 2yrj h ALA 23 Cb 1.15 -0.19 -0.23 0.00 0.00 0.00 0.00 17.79 18.52 2yrj h ALA 23 CO 0.19 0.58 -0.87 -0.65 0.00 0.00 0.00 179.25 178.50 2yrj s GLN 24 N -4.94 1.49 0.08 0.00 -0.21 -1.26 -4.75 119.66 110.06 2yrj s GLN 24 Ca -0.09 -1.26 -0.26 0.00 0.02 0.00 0.00 55.36 53.77 2yrj s GLN 24 Cb 0.14 -1.87 -0.16 0.00 1.00 0.00 0.00 33.01 32.12 2yrj s GLN 24 CO 0.81 0.46 1.67 0.87 -2.12 0.00 0.00 175.29 176.98 2yrj h LYS 25 N 4.17 -0.24 -1.40 2.91 1.79 -1.99 -2.46 116.57 119.34 2yrj h LYS 25 Ca -0.49 0.02 0.47 0.00 -2.18 0.00 0.00 60.65 58.46 2yrj h LYS 25 Cb 1.16 0.05 -0.13 0.00 -1.58 0.00 0.00 32.23 31.74 2yrj h LYS 25 CO 0.40 -0.13 0.91 0.00 -1.08 0.00 0.00 179.45 179.55 2yrj h ALA 26 N 0.54 2.87 -0.03 3.86 0.00 -1.98 1.98 119.26 126.50 2yrj h ALA 26 Ca -0.03 0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 2yrj h ALA 26 Cb 0.21 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2yrj h ALA 26 CO 0.04 -1.53 -0.83 -0.97 0.00 0.00 0.00 179.25 175.96 2yrj h ASN 27 N 0.03 0.42 0.05 0.00 -0.73 -1.86 -3.01 115.58 110.48 2yrj h ASN 27 Ca 0.86 -0.31 -0.00 0.00 1.87 0.00 0.00 56.30 58.72 2yrj h ASN 27 Cb 2.80 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 41.27 2yrj h ASN 27 CO -0.42 1.08 -0.03 0.25 -0.37 0.00 0.00 177.43 177.95 2yrj h LEU 28 N 0.21 -0.06 -0.99 0.34 5.85 0.31 -2.99 115.31 117.97 2yrj h LEU 28 Ca -0.05 -0.47 0.26 0.00 0.84 0.00 0.00 57.88 58.47 2yrj h LEU 28 Cb 1.44 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.35 2yrj h LEU 28 CO 0.14 0.64 0.56 0.74 -0.34 0.00 0.00 178.44 180.18 2yrj h THR 29 N -0.96 0.46 0.00 1.05 2.02 -0.43 1.02 112.91 116.07 2yrj h THR 29 Ca -0.01 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 2yrj h THR 29 Cb 0.52 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2yrj h THR 29 CO 0.01 0.09 -0.26 0.06 0.37 0.00 0.00 175.52 175.79 2yrj h GLN 30 N 0.49 0.00 -0.03 6.66 3.07 -1.63 -3.18 115.11 120.50 2yrj h GLN 30 Ca 0.66 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 59.24 2yrj h GLN 30 Cb 1.33 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.90 2yrj h GLN 30 CO -0.52 0.26 -0.59 1.25 0.09 0.00 0.00 178.83 179.31 2yrj h HIS 31 N 0.00 0.65 -0.96 0.06 2.76 0.12 -3.20 115.15 114.58 2yrj h HIS 31 Ca -0.00 -0.34 0.27 0.00 -2.20 0.00 0.00 60.37 58.10 2yrj h HIS 31 Cb 0.84 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.68 2yrj h HIS 31 CO 0.00 1.14 0.68 1.96 -1.30 0.00 0.00 177.93 180.41 2yrj h GLN 32 N -0.02 0.06 -0.54 5.26 4.20 -1.15 0.25 115.11 123.17 2yrj h GLN 32 Ca -0.07 -0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.80 2yrj h GLN 32 Cb 1.28 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 2yrj h GLN 32 CO 0.12 0.04 0.51 0.00 -0.67 0.00 0.00 178.83 178.83 2yrj h ARG 33 N 0.07 0.00 -0.57 1.46 3.08 -1.64 0.19 114.38 116.97 2yrj h ARG 33 Ca 0.47 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.48 2yrj h ARG 33 Cb 1.75 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.77 2yrj h ARG 33 CO -0.04 0.00 0.19 -0.84 -1.07 0.00 0.00 179.97 178.21 2yrj h ILE 34 N 0.00 1.21 0.15 2.04 3.07 -0.70 -3.04 117.51 120.24 2yrj h ILE 34 Ca 0.26 -0.71 -0.21 0.00 1.55 0.00 0.00 64.86 65.74 2yrj h ILE 34 Cb 1.27 0.57 0.02 0.00 -0.27 0.00 0.00 36.82 38.42 2yrj h ILE 34 CO -0.00 0.28 -0.92 0.45 -1.05 0.00 0.00 178.15 176.90 2yrj h HIS 35 N 0.82 0.64 -0.74 0.16 3.86 -0.80 -3.41 115.15 115.68 2yrj h HIS 35 Ca 0.19 -0.45 -0.25 0.00 -1.16 0.00 0.00 60.37 58.69 2yrj h HIS 35 Cb 0.21 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 2yrj h HIS 35 CO 0.01 1.34 0.97 0.25 0.86 0.00 0.00 177.93 181.37 2yrj n THR 36 N -4.06 -0.03 -2.15 2.45 -2.24 -0.92 -3.86 114.28 103.47 2yrj n THR 36 Ca -0.14 -0.57 -0.04 0.00 -2.27 0.00 0.00 64.05 61.03 2yrj n THR 36 Cb 0.86 -1.96 -0.03 0.00 -2.10 0.00 0.00 70.33 67.10 2yrj n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yrj n GLY 37 N 6.36 -4.37 3.71 3.38 0.00 -1.26 -4.93 105.19 108.07 2yrj n GLY 37 Ca 0.47 0.95 -0.42 0.00 0.00 0.00 0.00 46.02 47.02 2yrj n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yrj s GLU 38 N -0.81 4.43 0.34 1.61 0.41 -1.25 -4.96 118.70 118.48 2yrj s GLU 38 Ca -0.18 1.74 -0.05 0.00 -0.41 0.00 0.00 54.97 56.07 2yrj s GLU 38 Cb 0.01 -3.38 -0.05 0.00 -1.78 0.00 0.00 34.13 28.93 2yrj s GLU 38 CO 0.48 -0.27 0.62 0.15 -0.49 0.00 0.00 175.26 175.75 2yrj s LYS 39 N 1.21 3.63 0.22 1.61 3.01 -1.26 -5.01 119.74 123.15 2yrj s LYS 39 Ca 0.58 0.07 -0.02 0.00 -1.01 0.00 0.00 55.97 55.59 2yrj s LYS 39 Cb -0.28 -2.57 0.21 0.00 -1.01 0.00 0.00 37.83 34.18 2yrj s LYS 39 CO 0.28 0.10 1.58 -1.00 0.51 0.00 0.00 175.35 176.83 2yrj h PRO 40 N 1.28 0.56 -0.23 -1.68 0.13 -2.04 -3.21 132.00 126.81 2yrj h PRO 40 Ca -0.48 -0.29 -0.04 0.00 -0.87 0.00 0.00 66.00 64.33 2yrj h PRO 40 Cb 1.20 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2yrj h PRO 40 CO 0.64 0.88 0.00 0.66 -0.23 0.00 0.00 178.00 179.96 2yrj h SER 41 N 0.46 0.40 -4.67 1.44 4.64 -2.04 -3.50 113.55 110.28 2yrj h SER 41 Ca 0.04 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2yrj h SER 41 Cb 0.92 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2yrj h SER 41 CO 0.08 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 2yrj n GLY 42 N -0.33 0.57 3.55 -0.77 0.00 -1.21 -4.85 105.19 102.15 2yrj n GLY 42 Ca -0.04 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 2yrj n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrj s PRO 43 N -3.72 2.60 0.00 1.61 0.04 -1.26 -4.63 135.00 129.64 2yrj s PRO 43 Ca 0.00 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.34 2yrj s PRO 43 Cb 0.00 -4.62 0.00 0.00 0.04 0.00 0.00 34.50 29.92 2yrj s PRO 43 CO 0.00 -2.95 0.00 0.43 0.04 0.00 0.00 177.00 174.52 2yrj n SER 44 N 13.18 0.53 -4.24 6.66 7.64 -1.26 -5.01 113.62 131.12 2yrj n SER 44 Ca 0.27 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.79 2yrj n SER 44 Cb 0.50 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.63 2yrj n SER 44 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2yrj n SER 45 N -2.84 -1.09 -0.25 6.43 3.41 -1.26 -5.33 113.62 112.69 2yrj n SER 45 Ca 0.00 -1.14 0.15 0.00 -0.26 0.00 0.00 58.87 57.62 2yrj n SER 45 Cb 0.43 -1.45 0.73 0.00 -0.26 0.00 0.00 64.21 63.66 2yrj n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49