#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 6.54 -0.03 1.61 0.15 -1.26 -5.02 113.70 115.70 2yrj s SER 2 Ca 0.00 0.67 -0.23 0.00 0.70 0.00 0.00 55.95 57.09 2yrj s SER 2 Cb 0.00 -2.13 -0.21 0.00 -1.71 0.00 0.00 66.02 61.97 2yrj s SER 2 CO 0.00 0.08 1.12 -1.28 1.20 0.00 0.00 173.24 174.36 2yrj h SER 3 N 3.07 0.26 0.00 5.45 0.87 -2.10 -3.50 113.55 117.60 2yrj h SER 3 Ca -0.47 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.40 2yrj h SER 3 Cb 1.17 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2yrj h SER 3 CO 0.70 0.91 0.00 0.61 -0.53 0.00 0.00 176.83 178.52 2yrj n GLY 4 N 0.80 0.57 3.51 5.77 0.00 -1.26 -4.83 105.19 109.74 2yrj n GLY 4 Ca -0.09 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 -4.00 6.75 -0.10 1.61 1.04 -1.26 -4.80 113.70 112.95 2yrj s SER 5 Ca 0.00 -2.23 -0.26 0.00 0.48 0.00 0.00 55.95 53.94 2yrj s SER 5 Cb 0.00 -2.48 -0.23 0.00 0.10 0.00 0.00 66.02 63.42 2yrj s SER 5 CO 0.00 -1.11 0.89 0.28 0.98 0.00 0.00 173.24 174.28 2yrj h SER 6 N 8.39 -0.01 0.00 7.02 0.02 -2.03 -3.49 113.55 123.44 2yrj h SER 6 Ca 0.27 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2yrj h SER 6 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2yrj h SER 6 CO 1.29 0.79 0.00 0.61 -1.14 0.00 0.00 176.83 178.38 2yrj n GLY 7 N 1.16 1.55 3.53 -3.77 0.00 -1.26 -4.87 105.19 101.52 2yrj n GLY 7 Ca -0.09 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 2yrj n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2yrj n THR 8 N 0.00 -0.05 -2.85 2.61 -1.04 -1.26 -4.76 114.28 106.94 2yrj n THR 8 Ca 0.00 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.05 61.46 2yrj n THR 8 Cb 0.00 -1.70 0.02 0.00 -1.82 0.00 0.00 70.33 66.83 2yrj n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yrj n GLY 9 N 6.23 0.58 3.28 3.41 0.00 -1.26 -5.14 105.19 112.29 2yrj n GLY 9 Ca 0.51 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 2yrj n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yrj s GLU 10 N 0.33 1.37 -0.36 1.61 0.41 -1.26 -5.13 118.70 115.67 2yrj s GLU 10 Ca 0.33 -1.75 -0.09 0.00 -0.41 0.00 0.00 54.97 53.05 2yrj s GLU 10 Cb 0.20 -0.03 0.03 0.00 -1.78 0.00 0.00 34.13 32.56 2yrj s GLU 10 CO -0.21 -0.36 0.16 0.15 -0.49 0.00 0.00 175.26 174.51 2yrj s LYS 11 N -4.03 2.72 0.24 1.61 1.02 -1.26 -4.78 119.74 115.26 2yrj s LYS 11 Ca 0.38 -1.14 0.01 0.00 0.02 0.00 0.00 55.97 55.24 2yrj s LYS 11 Cb 0.07 -3.62 0.28 0.00 -0.52 0.00 0.00 37.83 34.04 2yrj s LYS 11 CO 0.14 -0.70 1.61 -1.00 -0.92 0.00 0.00 175.35 174.49 2yrj h PRO 12 N 8.34 0.43 -6.19 -1.68 0.13 -1.87 -3.43 132.00 127.74 2yrj h PRO 12 Ca -0.24 -0.23 -0.56 0.00 -0.87 0.00 0.00 66.00 64.10 2yrj h PRO 12 Cb 1.09 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 2yrj h PRO 12 CO 0.64 0.79 0.59 0.71 -0.23 0.00 0.00 178.00 180.50 2yrj s TYR 13 N -4.14 3.47 -0.11 1.56 1.51 -1.24 -5.00 117.35 113.40 2yrj s TYR 13 Ca -0.06 1.53 -0.01 0.00 -1.01 0.00 0.00 57.07 57.52 2yrj s TYR 13 Cb 0.12 -3.18 0.03 0.00 -0.11 0.00 0.00 41.96 38.82 2yrj s TYR 13 CO 0.81 -0.27 -0.06 0.50 -1.11 0.00 0.00 175.55 175.41 2yrj s ARG 14 N 2.24 1.38 0.59 -0.62 3.52 -1.26 -1.42 118.95 123.37 2yrj s ARG 14 Ca 0.46 -0.20 -0.18 0.00 -0.13 0.00 0.00 55.73 55.69 2yrj s ARG 14 Cb -0.17 -1.49 -0.09 0.00 -1.56 0.00 0.00 34.95 31.63 2yrj s ARG 14 CO 0.15 -0.27 0.39 0.00 -0.81 0.00 0.00 175.30 174.76 2yrj n GLY 16 N 1.92 -0.97 0.02 0.00 0.00 -1.26 -3.16 105.19 101.75 2yrj n GLY 16 Ca 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.06 0.07 1.61 4.57 -1.99 -3.39 114.58 115.39 2yrj h GLU 17 Ca -0.48 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.39 2yrj h GLU 17 Cb 2.17 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 30.74 2yrj h GLU 17 CO 0.04 -0.04 -1.74 0.00 -1.18 0.00 0.00 179.01 176.09 2yrj n GLY 19 N 1.75 1.83 1.83 0.00 0.00 -1.19 -5.05 105.19 104.36 2yrj n GLY 19 Ca -0.33 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.04 -3.37 -3.75 1.61 5.02 -1.26 -4.45 118.16 111.92 2yrj n LYS 20 Ca 0.00 -0.86 -0.10 0.00 -2.02 0.00 0.00 58.31 55.34 2yrj n LYS 20 Cb 0.00 -1.04 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.25 -0.56 -0.26 7.82 0.00 -1.26 0.03 121.76 125.28 2yrj s ALA 21 Ca 0.38 -0.34 -0.25 0.00 0.00 0.00 0.00 51.96 51.76 2yrj s ALA 21 Cb -0.06 0.57 0.07 0.00 0.00 0.00 0.00 23.12 23.70 2yrj s ALA 21 CO 0.32 -0.56 0.71 -0.06 0.00 0.00 0.00 175.76 176.16 2yrj s PHE 22 N -3.78 -0.78 0.27 0.00 0.40 -0.51 -4.95 117.98 108.63 2yrj s PHE 22 Ca 0.04 1.89 -0.01 0.00 -0.60 0.00 0.00 56.93 58.24 2yrj s PHE 22 Cb 0.03 0.27 0.36 0.00 0.51 0.00 0.00 43.02 44.19 2yrj s PHE 22 CO -0.11 -0.38 1.75 0.00 0.70 0.00 0.00 175.22 177.18 2yrj h ALA 23 N 4.96 1.11 -4.21 5.36 0.00 -1.87 -3.30 119.26 121.31 2yrj h ALA 23 Ca -0.29 -0.28 -0.67 0.00 0.00 0.00 0.00 54.91 53.67 2yrj h ALA 23 Cb 1.16 -0.17 -0.26 0.00 0.00 0.00 0.00 17.79 18.52 2yrj h ALA 23 CO 0.06 0.56 -0.87 -0.65 0.00 0.00 0.00 179.25 178.35 2yrj s GLN 24 N -4.87 1.67 0.10 0.00 1.11 -1.26 -4.78 119.66 111.63 2yrj s GLN 24 Ca -0.09 -1.11 -0.27 0.00 0.01 0.00 0.00 55.36 53.90 2yrj s GLN 24 Cb 0.14 -1.87 -0.12 0.00 -1.01 0.00 0.00 33.01 30.15 2yrj s GLN 24 CO 0.80 0.48 1.66 0.87 0.01 0.00 0.00 175.29 179.11 2yrj h LYS 25 N 4.70 -0.44 -1.64 2.91 1.79 -1.99 -1.77 116.57 120.12 2yrj h LYS 25 Ca -0.46 0.03 0.50 0.00 -2.18 0.00 0.00 60.65 58.53 2yrj h LYS 25 Cb 1.15 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 31.80 2yrj h LYS 25 CO 0.43 -0.29 1.14 0.00 -1.08 0.00 0.00 179.45 179.65 2yrj h ALA 26 N 0.26 3.36 0.06 3.86 0.00 -1.98 1.97 119.26 126.79 2yrj h ALA 26 Ca -0.00 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2yrj h ALA 26 Cb 0.43 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2yrj h ALA 26 CO -0.05 -1.93 -1.08 -0.97 0.00 0.00 0.00 179.25 175.22 2yrj h ASN 27 N 0.03 0.34 0.01 0.00 -0.73 -1.74 -3.19 115.58 110.29 2yrj h ASN 27 Ca 0.85 -0.33 -0.00 0.00 1.87 0.00 0.00 56.30 58.69 2yrj h ASN 27 Cb 3.16 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 41.64 2yrj h ASN 27 CO -0.17 1.21 -0.01 0.25 -0.37 0.00 0.00 177.43 178.34 2yrj h LEU 28 N 0.09 -0.01 -0.97 0.34 5.85 0.32 -3.14 115.31 117.79 2yrj h LEU 28 Ca -0.09 -0.57 0.29 0.00 0.84 0.00 0.00 57.88 58.35 2yrj h LEU 28 Cb 1.78 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.67 2yrj h LEU 28 CO 0.17 0.76 0.47 0.74 -0.34 0.00 0.00 178.44 180.24 2yrj h THR 29 N -0.99 0.33 -0.02 1.05 2.02 -0.41 1.03 112.91 115.93 2yrj h THR 29 Ca -0.00 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 2yrj h THR 29 Cb 0.58 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2yrj h THR 29 CO 0.00 0.06 -0.46 0.06 0.37 0.00 0.00 175.52 175.55 2yrj h GLN 30 N 0.32 0.04 -0.23 6.66 3.07 -1.66 -3.10 115.11 120.21 2yrj h GLN 30 Ca 0.67 -0.02 -0.07 0.00 0.09 0.00 0.00 58.65 59.32 2yrj h GLN 30 Cb 1.45 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.00 2yrj h GLN 30 CO -0.60 0.49 -0.14 1.25 0.09 0.00 0.00 178.83 179.92 2yrj h HIS 31 N 0.03 0.59 -0.96 0.06 2.76 0.11 -2.95 115.15 114.79 2yrj h HIS 31 Ca -0.00 -0.16 0.28 0.00 -2.20 0.00 0.00 60.37 58.29 2yrj h HIS 31 Cb 0.83 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.62 2yrj h HIS 31 CO 0.00 0.80 0.69 1.96 -1.30 0.00 0.00 177.93 180.08 2yrj h GLN 32 N 0.21 0.02 -1.25 5.26 4.20 -1.16 0.51 115.11 122.90 2yrj h GLN 32 Ca 0.05 -0.00 0.36 0.00 0.06 0.00 0.00 58.65 59.12 2yrj h GLN 32 Cb 0.66 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.37 2yrj h GLN 32 CO 0.04 0.01 0.87 0.00 -0.67 0.00 0.00 178.83 179.09 2yrj h ARG 33 N 0.02 0.09 -0.28 1.46 2.47 -1.57 0.91 114.38 117.48 2yrj h ARG 33 Ca 0.46 -0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 59.11 2yrj h ARG 33 Cb 1.81 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 30.09 2yrj h ARG 33 CO -0.02 0.06 -0.11 -0.84 0.56 0.00 0.00 179.97 179.62 2yrj h ILE 34 N 0.09 1.22 0.03 2.04 3.07 -1.09 -3.22 117.51 119.65 2yrj h ILE 34 Ca 0.63 -0.96 -0.15 0.00 1.55 0.00 0.00 64.86 65.94 2yrj h ILE 34 Cb 2.29 1.13 -0.01 0.00 -0.27 0.00 0.00 36.82 39.96 2yrj h ILE 34 CO -0.11 0.31 -0.78 0.45 -1.05 0.00 0.00 178.15 176.97 2yrj h HIS 35 N 0.43 0.10 -1.89 0.16 3.86 0.59 -3.34 115.15 115.05 2yrj h HIS 35 Ca 0.08 -0.07 -0.49 0.00 -1.16 0.00 0.00 60.37 58.73 2yrj h HIS 35 Cb 0.46 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2yrj h HIS 35 CO 0.01 1.31 1.44 0.95 0.86 0.00 0.00 177.93 182.50 2yrj s THR 36 N -2.33 3.25 0.00 2.45 -4.23 -0.11 -3.20 115.64 111.46 2yrj s THR 36 Ca -0.23 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2yrj s THR 36 Cb 0.02 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.22 2yrj s THR 36 CO 0.67 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 2yrj n GLY 37 N 5.79 3.00 4.06 3.99 0.00 -1.26 -4.81 105.19 115.96 2yrj n GLY 37 Ca 0.26 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 2yrj n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yrj n GLU 38 N 0.00 -4.07 -3.97 1.61 -0.58 -1.20 -4.95 120.64 107.48 2yrj n GLU 38 Ca 0.00 0.46 -0.26 0.00 -0.42 0.00 0.00 57.16 56.95 2yrj n GLU 38 Cb 0.00 -5.16 -0.03 0.00 -0.57 0.00 0.00 31.44 25.67 2yrj n GLU 38 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2yrj s LYS 39 N -6.74 3.35 0.00 3.49 1.02 -1.26 -4.98 119.74 114.62 2yrj s LYS 39 Ca 0.59 -0.66 0.13 0.00 0.02 0.00 0.00 55.97 56.04 2yrj s LYS 39 Cb -0.31 -2.90 0.75 0.00 -0.52 0.00 0.00 37.83 34.84 2yrj s LYS 39 CO 0.88 0.51 1.18 -0.35 -0.92 0.00 0.00 175.35 176.65 2yrj n PRO 40 N -0.60 0.49 -0.24 -1.68 -0.04 -1.26 -4.04 135.00 127.63 2yrj n PRO 40 Ca -0.07 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.52 2yrj n PRO 40 Cb 0.54 -1.40 0.26 0.00 -0.04 0.00 0.00 33.50 32.86 2yrj n PRO 40 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yrj n SER 41 N -0.90 -0.00 0.00 3.54 7.64 -1.26 -4.86 113.62 117.78 2yrj n SER 41 Ca 0.09 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.19 2yrj n SER 41 Cb 0.04 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2yrj n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yrj n GLY 42 N -1.32 0.28 3.77 0.23 0.00 -1.26 -5.12 105.19 101.77 2yrj n GLY 42 Ca 0.19 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.00 3.88 0.04 1.61 0.04 -1.26 -4.98 135.00 132.33 2yrj s PRO 43 Ca 0.00 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 62.86 2yrj s PRO 43 Cb 0.00 -2.52 -0.00 0.00 0.04 0.00 0.00 34.50 32.01 2yrj s PRO 43 CO 0.00 -0.47 -0.01 0.45 0.04 0.00 0.00 177.00 177.01 2yrj n SER 44 N -0.25 0.58 -4.54 6.66 2.88 -1.26 -5.07 113.62 112.63 2yrj n SER 44 Ca 0.06 0.08 -0.33 0.00 -1.33 0.00 0.00 58.87 57.35 2yrj n SER 44 Cb 0.47 -0.18 0.13 0.00 -0.75 0.00 0.00 64.21 63.88 2yrj n SER 44 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yrj n SER 45 N -3.27 -0.81 0.00 -3.46 3.41 -1.26 -5.02 113.62 103.21 2yrj n SER 45 Ca -0.01 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 2yrj n SER 45 Cb 0.27 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 2yrj n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49