#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 6.48 -0.47 1.61 1.04 -1.26 -4.97 113.70 116.14 2yrj s SER 2 Ca 0.00 1.93 -0.05 0.00 0.48 0.00 0.00 55.95 58.31 2yrj s SER 2 Cb 0.00 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.71 2yrj s SER 2 CO 0.00 -1.12 0.29 -0.55 0.98 0.00 0.00 173.24 172.84 2yrj s SER 3 N 3.97 5.42 -0.08 7.02 0.15 -1.26 -4.86 113.70 124.06 2yrj s SER 3 Ca 0.74 -2.13 -0.04 0.00 0.70 0.00 0.00 55.95 55.22 2yrj s SER 3 Cb -0.29 -1.89 0.01 0.00 -1.71 0.00 0.00 66.02 62.14 2yrj s SER 3 CO 0.29 -0.57 0.07 0.61 1.20 0.00 0.00 173.24 174.85 2yrj n GLY 4 N 4.52 -3.73 3.06 9.45 0.00 -1.26 -5.09 105.19 112.14 2yrj n GLY 4 Ca -0.02 0.35 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 2yrj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrj s SER 5 N -0.34 -0.78 0.48 1.61 0.01 -1.26 -5.15 113.70 108.27 2yrj s SER 5 Ca -0.08 0.60 -0.20 0.00 1.31 0.00 0.00 55.95 57.57 2yrj s SER 5 Cb 0.01 1.77 -0.13 0.00 0.21 0.00 0.00 66.02 67.87 2yrj s SER 5 CO 0.30 -0.28 0.27 -1.54 0.41 0.00 0.00 173.24 172.40 2yrj n SER 6 N 5.40 -2.07 0.00 2.44 3.41 -1.26 -4.76 113.62 116.79 2yrj n SER 6 Ca -0.02 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 2yrj n SER 6 Cb 0.51 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2yrj n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yrj n GLY 7 N 2.09 0.31 3.21 5.00 0.00 -1.26 -5.10 105.19 109.44 2yrj n GLY 7 Ca 0.11 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 2yrj n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yrj s THR 8 N 0.00 4.65 -0.12 2.61 2.01 -1.26 -5.03 115.64 118.50 2yrj s THR 8 Ca 0.00 -2.62 -0.09 0.00 0.31 0.00 0.00 61.69 59.29 2yrj s THR 8 Cb 0.00 -3.94 0.03 0.00 0.01 0.00 0.00 72.50 68.60 2yrj s THR 8 CO 0.00 -0.94 0.30 -0.83 -0.69 0.00 0.00 174.62 172.46 2yrj s GLY 9 N 1.57 -0.22 0.67 4.40 0.00 -1.26 -5.17 107.32 107.32 2yrj s GLY 9 Ca 0.16 0.93 -0.05 0.00 0.00 0.00 0.00 44.72 45.77 2yrj s GLY 9 CO -0.06 0.91 0.96 -0.54 0.00 0.00 0.00 173.10 174.37 2yrj s GLU 10 N 0.47 2.23 -0.25 2.90 2.02 -1.26 -5.05 118.70 119.76 2yrj s GLU 10 Ca -0.03 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.56 2yrj s GLU 10 Cb -0.04 -2.25 0.04 0.00 0.10 0.00 0.00 34.13 31.98 2yrj s GLU 10 CO -0.02 -1.14 -0.10 0.15 0.02 0.00 0.00 175.26 174.16 2yrj s LYS 11 N -5.14 2.58 0.24 1.61 1.02 -1.26 -4.79 119.74 114.00 2yrj s LYS 11 Ca 0.60 -1.13 0.01 0.00 0.02 0.00 0.00 55.97 55.47 2yrj s LYS 11 Cb -0.10 -2.89 0.27 0.00 -0.52 0.00 0.00 37.83 34.59 2yrj s LYS 11 CO 0.43 -0.46 1.61 -1.00 -0.92 0.00 0.00 175.35 175.02 2yrj h PRO 12 N 7.90 0.45 -6.21 -1.68 0.13 -1.89 -3.43 132.00 127.26 2yrj h PRO 12 Ca -0.29 -0.23 -0.56 0.00 -0.87 0.00 0.00 66.00 64.05 2yrj h PRO 12 Cb 1.08 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 2yrj h PRO 12 CO 0.54 0.80 0.64 0.71 -0.23 0.00 0.00 178.00 180.46 2yrj s TYR 13 N -4.15 3.45 -0.09 1.56 1.51 -1.24 -5.00 117.35 113.40 2yrj s TYR 13 Ca -0.06 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.55 2yrj s TYR 13 Cb 0.12 -3.22 0.02 0.00 -0.11 0.00 0.00 41.96 38.78 2yrj s TYR 13 CO 0.81 -0.33 -0.07 0.50 -1.11 0.00 0.00 175.55 175.35 2yrj s ARG 14 N 2.35 1.33 0.74 -0.62 3.52 -1.26 -1.30 118.95 123.72 2yrj s ARG 14 Ca 0.47 -0.21 -0.16 0.00 -0.13 0.00 0.00 55.73 55.71 2yrj s ARG 14 Cb -0.18 -1.37 -0.03 0.00 -1.56 0.00 0.00 34.95 31.81 2yrj s ARG 14 CO 0.15 -0.20 0.55 0.00 -0.81 0.00 0.00 175.30 174.98 2yrj n GLY 16 N 1.60 -0.83 0.07 0.00 0.00 -1.26 -3.26 105.19 101.51 2yrj n GLY 16 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 2yrj n GLY 16 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yrj h GLU 17 N 0.00 -0.17 0.07 1.61 3.07 -1.99 -3.39 114.58 113.77 2yrj h GLU 17 Ca -0.54 0.01 -0.34 0.00 -0.50 0.00 0.00 59.36 57.99 2yrj h GLU 17 Cb 2.14 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 30.06 2yrj h GLU 17 CO 0.00 -0.12 -1.93 0.00 -1.40 0.00 0.00 179.01 175.57 2yrj n GLY 19 N 1.83 1.76 1.63 0.00 0.00 -1.20 -5.05 105.19 104.16 2yrj n GLY 19 Ca -0.36 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.12 -3.23 -3.68 1.61 5.02 -1.26 -4.39 118.16 112.12 2yrj n LYS 20 Ca 0.00 -0.72 -0.12 0.00 -2.02 0.00 0.00 58.31 55.46 2yrj n LYS 20 Cb 0.00 -0.96 -0.06 0.00 -0.02 0.00 0.00 35.03 33.99 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 -2.05 -0.87 -0.11 7.82 0.00 -1.26 -0.01 121.76 125.27 2yrj s ALA 21 Ca 0.33 0.08 -0.22 0.00 0.00 0.00 0.00 51.96 52.15 2yrj s ALA 21 Cb -0.06 0.46 0.05 0.00 0.00 0.00 0.00 23.12 23.58 2yrj s ALA 21 CO 0.28 -0.51 0.53 -0.06 0.00 0.00 0.00 175.76 175.99 2yrj s PHE 22 N -3.02 -0.51 0.13 0.00 0.40 -0.42 -4.96 117.98 109.60 2yrj s PHE 22 Ca -0.02 1.06 0.26 0.00 -0.60 0.00 0.00 56.93 57.63 2yrj s PHE 22 Cb 0.00 0.24 1.00 0.00 0.51 0.00 0.00 43.02 44.78 2yrj s PHE 22 CO -0.06 -0.42 1.86 0.00 0.70 0.00 0.00 175.22 177.30 2yrj h ALA 23 N 4.21 1.02 -2.17 5.36 0.00 -1.87 -3.28 119.26 122.53 2yrj h ALA 23 Ca -0.28 -0.16 -0.42 0.00 0.00 0.00 0.00 54.91 54.04 2yrj h ALA 23 Cb 1.16 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 2yrj h ALA 23 CO 0.29 0.23 -0.69 -0.65 0.00 0.00 0.00 179.25 178.43 2yrj s GLN 24 N -3.66 1.36 -0.04 0.00 -0.21 -1.26 -4.85 119.66 110.99 2yrj s GLN 24 Ca 0.01 -1.66 -0.12 0.00 0.02 0.00 0.00 55.36 53.61 2yrj s GLN 24 Cb 0.10 -0.88 -0.07 0.00 1.00 0.00 0.00 33.01 33.16 2yrj s GLN 24 CO 0.62 0.03 0.51 0.87 -2.12 0.00 0.00 175.29 175.20 2yrj h LYS 25 N 2.47 -0.42 -1.23 2.91 1.79 -1.99 -3.00 116.57 117.10 2yrj h LYS 25 Ca -0.38 0.03 0.44 0.00 -2.18 0.00 0.00 60.65 58.55 2yrj h LYS 25 Cb 1.22 0.09 -0.15 0.00 -1.58 0.00 0.00 32.23 31.82 2yrj h LYS 25 CO 0.65 -0.28 0.76 0.00 -1.08 0.00 0.00 179.45 179.50 2yrj h ALA 26 N -1.17 2.56 -0.19 3.86 0.00 -1.98 1.93 119.26 124.27 2yrj h ALA 26 Ca -0.04 0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2yrj h ALA 26 Cb 0.33 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2yrj h ALA 26 CO 0.07 -1.26 -0.49 -0.97 0.00 0.00 0.00 179.25 176.60 2yrj h ASN 27 N 0.05 0.56 0.00 0.00 -1.24 -1.99 -2.76 115.58 110.20 2yrj h ASN 27 Ca 0.85 -0.28 -0.01 0.00 0.71 0.00 0.00 56.30 57.57 2yrj h ASN 27 Cb 2.53 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 41.42 2yrj h ASN 27 CO -0.55 0.95 -0.16 0.25 -1.29 0.00 0.00 177.43 176.63 2yrj h LEU 28 N 0.41 0.00 -1.07 0.34 5.85 0.29 -3.22 115.31 117.90 2yrj h LEU 28 Ca 0.02 -0.13 0.35 0.00 0.84 0.00 0.00 57.88 58.96 2yrj h LEU 28 Cb 1.00 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.88 2yrj h LEU 28 CO 0.09 0.65 0.60 0.74 -0.34 0.00 0.00 178.44 180.18 2yrj h THR 29 N -1.00 0.25 -0.06 1.05 2.02 -0.02 1.38 112.91 116.54 2yrj h THR 29 Ca -0.01 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 2yrj h THR 29 Cb 0.27 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 2yrj h THR 29 CO -0.01 0.05 -0.41 0.06 0.37 0.00 0.00 175.52 175.58 2yrj h GLN 30 N 0.26 0.12 -0.27 6.66 3.07 -1.63 -3.06 115.11 120.26 2yrj h GLN 30 Ca 0.75 -0.06 -0.10 0.00 0.09 0.00 0.00 58.65 59.33 2yrj h GLN 30 Cb 1.85 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.40 2yrj h GLN 30 CO -0.59 0.52 -0.23 1.25 0.09 0.00 0.00 178.83 179.87 2yrj h HIS 31 N 0.11 0.75 -0.17 0.06 2.76 0.18 -2.85 115.15 115.99 2yrj h HIS 31 Ca 0.01 -0.22 0.05 0.00 -2.20 0.00 0.00 60.37 58.01 2yrj h HIS 31 Cb 0.77 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 2yrj h HIS 31 CO 0.01 0.93 0.43 1.96 -1.30 0.00 0.00 177.93 179.95 2yrj h GLN 32 N 0.36 0.00 0.00 5.26 4.20 -1.21 0.21 115.11 123.93 2yrj h GLN 32 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2yrj h GLN 32 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2yrj h GLN 32 CO 0.06 0.00 0.04 0.00 -0.67 0.00 0.00 178.83 178.26 2yrj h ARG 33 N 0.00 0.00 -0.10 1.46 2.47 -1.57 -0.68 114.38 115.96 2yrj h ARG 33 Ca 0.08 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.59 2yrj h ARG 33 Cb 0.94 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.26 2yrj h ARG 33 CO -0.00 0.00 -0.79 -0.84 0.56 0.00 0.00 179.97 178.90 2yrj h ILE 34 N 0.00 1.33 0.07 2.04 3.07 -0.78 -3.33 117.51 119.91 2yrj h ILE 34 Ca 0.00 -2.10 -0.13 0.00 1.55 0.00 0.00 64.86 64.18 2yrj h ILE 34 Cb 0.08 2.09 0.01 0.00 -0.27 0.00 0.00 36.82 38.73 2yrj h ILE 34 CO 0.00 0.65 -0.63 0.45 -1.05 0.00 0.00 178.15 177.56 2yrj h HIS 35 N 0.39 0.29 -2.83 0.16 3.86 -1.34 -3.45 115.15 112.24 2yrj h HIS 35 Ca -0.05 -0.21 -0.56 0.00 -1.16 0.00 0.00 60.37 58.39 2yrj h HIS 35 Cb 1.39 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.82 2yrj h HIS 35 CO 0.07 1.24 0.95 0.95 0.86 0.00 0.00 177.93 182.00 2yrj s THR 36 N -2.35 4.02 0.27 2.45 -4.23 -0.68 -4.81 115.64 110.31 2yrj s THR 36 Ca -0.18 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 2yrj s THR 36 Cb 0.00 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.03 2yrj s THR 36 CO 0.75 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 2yrj n GLY 37 N 3.76 -1.78 3.00 3.99 0.00 -1.26 -4.78 105.19 108.12 2yrj n GLY 37 Ca 0.15 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 2yrj n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yrj s GLU 38 N -1.99 0.38 0.10 1.61 1.03 -1.26 -4.87 118.70 113.70 2yrj s GLU 38 Ca 0.00 -0.51 0.09 0.00 0.03 0.00 0.00 54.97 54.58 2yrj s GLU 38 Cb 0.00 -0.18 -0.03 0.00 -0.80 0.00 0.00 34.13 33.12 2yrj s GLU 38 CO 0.00 0.03 -0.23 0.15 -1.33 0.00 0.00 175.26 173.88 2yrj s LYS 39 N -1.06 1.27 -0.33 -4.83 3.01 -1.26 -5.09 119.74 111.44 2yrj s LYS 39 Ca -0.08 -1.18 -0.29 0.00 -1.01 0.00 0.00 55.97 53.42 2yrj s LYS 39 Cb -0.07 -1.57 -0.01 0.00 -1.01 0.00 0.00 37.83 35.17 2yrj s LYS 39 CO -0.00 0.37 1.69 -1.25 0.51 0.00 0.00 175.35 176.67 2yrj s PRO 40 N -1.82 3.46 -0.04 -1.68 0.04 -1.26 -4.99 135.00 128.71 2yrj s PRO 40 Ca 0.09 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.53 2yrj s PRO 40 Cb -0.10 -4.14 -0.01 0.00 0.04 0.00 0.00 34.50 30.30 2yrj s PRO 40 CO 0.04 -1.71 -0.18 -1.12 0.04 0.00 0.00 177.00 174.07 2yrj s SER 41 N 5.34 2.27 0.13 6.66 0.01 -1.26 -5.09 113.70 121.76 2yrj s SER 41 Ca 0.75 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.64 2yrj s SER 41 Cb -0.21 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.49 2yrj s SER 41 CO 0.33 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.77 2yrj n GLY 42 N 2.98 0.18 3.77 3.44 0.00 -1.26 -4.68 105.19 109.61 2yrj n GLY 42 Ca -0.17 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 2.48 -0.27 1.61 0.04 -1.26 -5.01 135.00 132.59 2yrj s PRO 43 Ca 0.00 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.16 2yrj s PRO 43 Cb 0.00 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.49 2yrj s PRO 43 CO 0.00 -1.48 -0.29 0.43 0.04 0.00 0.00 177.00 175.71 2yrj n SER 44 N -3.06 1.95 -4.49 6.66 7.64 -1.26 -4.84 113.62 116.22 2yrj n SER 44 Ca 0.10 0.33 -0.43 0.00 1.01 0.00 0.00 58.87 59.88 2yrj n SER 44 Cb 0.53 -0.82 -0.04 0.00 -1.01 0.00 0.00 64.21 62.86 2yrj n SER 44 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yrj s SER 45 N -7.40 6.27 0.00 6.43 0.01 -1.26 -5.23 113.70 112.53 2yrj s SER 45 Ca -0.38 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.25 2yrj s SER 45 Cb 0.14 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2yrj s SER 45 CO 0.51 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 173.55