#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 -0.27 -0.04 1.61 1.04 -1.26 -5.02 113.70 109.76 2yrj s SER 2 Ca 0.00 0.49 -0.22 0.00 0.48 0.00 0.00 55.95 56.69 2yrj s SER 2 Cb 0.00 0.75 -0.17 0.00 0.10 0.00 0.00 66.02 66.71 2yrj s SER 2 CO 0.00 -0.08 0.96 0.77 0.98 0.00 0.00 173.24 175.87 2yrj h SER 3 N 4.50 -0.18 0.00 7.02 4.64 -2.05 -3.44 113.55 124.04 2yrj h SER 3 Ca -0.28 -0.36 -0.17 0.00 -0.47 0.00 0.00 61.79 60.51 2yrj h SER 3 Cb 1.18 0.05 -0.13 0.00 -0.31 0.00 0.00 62.40 63.19 2yrj h SER 3 CO 0.17 0.36 -0.17 0.61 -0.87 0.00 0.00 176.83 176.93 2yrj n GLY 4 N 0.47 -0.26 3.52 -0.77 0.00 -1.26 -5.15 105.19 101.74 2yrj n GLY 4 Ca -0.08 0.33 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.75 -0.56 -0.67 1.61 1.04 -1.26 -5.12 113.70 108.00 2yrj s SER 5 Ca 0.20 0.52 -0.16 0.00 0.48 0.00 0.00 55.95 56.99 2yrj s SER 5 Cb 0.28 0.47 0.15 0.00 0.10 0.00 0.00 66.02 67.03 2yrj s SER 5 CO -0.11 -0.57 0.67 -0.94 0.98 0.00 0.00 173.24 173.27 2yrj s SER 6 N -1.40 6.40 0.00 7.02 1.04 -1.26 -4.89 113.70 120.61 2yrj s SER 6 Ca -0.06 -2.02 0.00 0.00 0.48 0.00 0.00 55.95 54.35 2yrj s SER 6 Cb -0.00 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2yrj s SER 6 CO 0.04 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2yrj n GLY 7 N 4.86 1.03 0.33 7.32 0.00 -1.26 -4.77 105.19 112.70 2yrj n GLY 7 Ca -0.01 -1.55 0.01 0.00 0.00 0.00 0.00 46.02 44.46 2yrj n GLY 7 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2yrj h THR 8 N 0.00 0.14 0.00 2.61 2.02 -1.96 -3.47 112.91 112.24 2yrj h THR 8 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2yrj h THR 8 Cb 0.00 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2yrj h THR 8 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2yrj n GLY 9 N -1.51 0.71 3.81 2.16 0.00 -1.26 -5.12 105.19 103.98 2yrj n GLY 9 Ca 0.10 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.00 2.88 -0.30 1.61 8.01 -1.26 -5.09 118.70 122.55 2yrj s GLU 10 Ca 0.00 -1.07 -0.00 0.00 0.01 0.00 0.00 54.97 53.91 2yrj s GLU 10 Cb 0.00 -2.54 0.06 0.00 -4.31 0.00 0.00 34.13 27.34 2yrj s GLU 10 CO 0.00 0.40 -0.02 0.15 0.01 0.00 0.00 175.26 175.81 2yrj s LYS 11 N -3.77 2.29 0.29 1.61 1.02 -1.26 -4.74 119.74 115.18 2yrj s LYS 11 Ca 0.33 -1.36 0.07 0.00 0.02 0.00 0.00 55.97 55.03 2yrj s LYS 11 Cb -0.08 -3.13 0.43 0.00 -0.52 0.00 0.00 37.83 34.53 2yrj s LYS 11 CO 0.24 -0.65 1.67 -1.00 -0.92 0.00 0.00 175.35 174.69 2yrj h PRO 12 N 7.91 0.19 -6.07 -1.68 0.13 -1.87 -3.43 132.00 127.18 2yrj h PRO 12 Ca -0.19 -0.10 -0.57 0.00 -0.87 0.00 0.00 66.00 64.27 2yrj h PRO 12 Cb 1.05 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 2yrj h PRO 12 CO 0.52 0.63 0.54 0.71 -0.23 0.00 0.00 178.00 180.17 2yrj s TYR 13 N -4.02 3.43 -0.11 1.56 2.02 -1.24 -5.01 117.35 113.99 2yrj s TYR 13 Ca -0.04 1.41 -0.00 0.00 -0.37 0.00 0.00 57.07 58.07 2yrj s TYR 13 Cb 0.13 -3.13 0.02 0.00 -0.40 0.00 0.00 41.96 38.59 2yrj s TYR 13 CO 0.77 -0.29 -0.07 0.50 -1.57 0.00 0.00 175.55 174.89 2yrj s ARG 14 N 2.36 1.44 0.75 -0.62 3.52 -1.26 -1.34 118.95 123.79 2yrj s ARG 14 Ca 0.43 -0.23 -0.16 0.00 -0.13 0.00 0.00 55.73 55.64 2yrj s ARG 14 Cb -0.17 -1.51 -0.06 0.00 -1.56 0.00 0.00 34.95 31.66 2yrj s ARG 14 CO 0.13 -0.25 0.29 0.00 -0.81 0.00 0.00 175.30 174.66 2yrj n GLY 16 N 1.94 -0.84 0.08 0.00 0.00 -1.26 -3.31 105.19 101.80 2yrj n GLY 16 Ca 0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.20 0.08 1.61 4.57 -1.99 -3.39 114.58 115.26 2yrj h GLU 17 Ca -0.55 0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 57.30 2yrj h GLU 17 Cb 2.16 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 30.77 2yrj h GLU 17 CO 0.00 -0.13 -1.87 0.00 -1.18 0.00 0.00 179.01 175.82 2yrj n GLY 19 N 1.83 1.73 1.58 0.00 0.00 -1.21 -4.98 105.19 104.14 2yrj n GLY 19 Ca -0.34 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.30 -3.22 -3.73 1.61 5.02 -1.26 -4.44 118.16 111.85 2yrj n LYS 20 Ca 0.00 -0.74 -0.10 0.00 -2.02 0.00 0.00 58.31 55.46 2yrj n LYS 20 Cb 0.00 -0.91 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 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 -2.21 -0.63 -0.19 7.82 0.00 -1.26 -0.01 121.76 125.29 2yrj s ALA 21 Ca 0.33 -0.27 -0.27 0.00 0.00 0.00 0.00 51.96 51.75 2yrj s ALA 21 Cb -0.05 0.59 0.07 0.00 0.00 0.00 0.00 23.12 23.73 2yrj s ALA 21 CO 0.27 -0.58 0.70 -0.06 0.00 0.00 0.00 175.76 176.10 2yrj s PHE 22 N -3.76 -0.74 0.23 0.00 0.40 -0.45 -4.95 117.98 108.71 2yrj s PHE 22 Ca 0.03 1.62 -0.02 0.00 -0.60 0.00 0.00 56.93 57.96 2yrj s PHE 22 Cb 0.03 0.32 0.23 0.00 0.51 0.00 0.00 43.02 44.11 2yrj s PHE 22 CO -0.11 -0.46 1.63 0.00 0.70 0.00 0.00 175.22 176.97 2yrj h ALA 23 N 4.26 0.90 -4.35 5.36 0.00 -1.87 -3.29 119.26 120.27 2yrj h ALA 23 Ca -0.28 -0.39 -0.70 0.00 0.00 0.00 0.00 54.91 53.54 2yrj h ALA 23 Cb 1.15 -0.13 -0.27 0.00 0.00 0.00 0.00 17.79 18.54 2yrj h ALA 23 CO 0.18 0.62 -0.86 -0.65 0.00 0.00 0.00 179.25 178.54 2yrj s GLN 24 N -4.46 2.05 0.11 0.00 1.11 -1.26 -4.79 119.66 112.41 2yrj s GLN 24 Ca -0.08 -0.97 -0.26 0.00 0.01 0.00 0.00 55.36 54.06 2yrj s GLN 24 Cb 0.13 -2.08 -0.10 0.00 -1.01 0.00 0.00 33.01 29.95 2yrj s GLN 24 CO 0.82 0.55 1.66 0.87 0.01 0.00 0.00 175.29 179.20 2yrj h LYS 25 N 5.11 -0.40 -1.54 2.91 1.79 -1.99 -1.62 116.57 120.82 2yrj h LYS 25 Ca -0.45 0.03 0.47 0.00 -2.18 0.00 0.00 60.65 58.52 2yrj h LYS 25 Cb 1.14 0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 31.78 2yrj h LYS 25 CO 0.46 -0.26 1.06 0.00 -1.08 0.00 0.00 179.45 179.63 2yrj h ALA 26 N 0.36 3.20 0.02 3.86 0.00 -1.99 1.84 119.26 126.55 2yrj h ALA 26 Ca 0.02 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 2yrj h ALA 26 Cb 0.42 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2yrj h ALA 26 CO -0.10 -1.77 -0.95 -0.97 0.00 0.00 0.00 179.25 175.47 2yrj h ASN 27 N 0.04 0.36 0.00 0.00 -0.00 -1.72 -3.10 115.58 111.16 2yrj h ASN 27 Ca 0.83 -0.30 -0.00 0.00 -0.00 0.00 0.00 56.30 56.83 2yrj h ASN 27 Cb 2.98 -0.11 0.00 0.00 -0.00 0.00 0.00 38.32 41.19 2yrj h ASN 27 CO -0.22 1.12 -0.00 0.25 -0.00 0.00 0.00 177.43 178.58 2yrj h LEU 28 N 0.14 -0.00 -0.76 0.34 5.85 0.29 -3.12 115.31 118.05 2yrj h LEU 28 Ca -0.07 -0.86 0.17 0.00 0.84 0.00 0.00 57.88 57.96 2yrj h LEU 28 Cb 1.59 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.51 2yrj h LEU 28 CO 0.15 0.87 0.20 0.74 -0.34 0.00 0.00 178.44 180.07 2yrj h THR 29 N -0.89 0.51 -0.03 1.05 2.02 -0.58 0.40 112.91 115.38 2yrj h THR 29 Ca -0.00 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 2yrj h THR 29 Cb 0.87 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2yrj h THR 29 CO 0.00 0.05 -0.22 0.06 0.37 0.00 0.00 175.52 175.78 2yrj h GLN 30 N 0.29 0.06 -0.17 6.66 3.07 -1.65 -2.88 115.11 120.49 2yrj h GLN 30 Ca 0.43 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 59.10 2yrj h GLN 30 Cb 0.75 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.30 2yrj h GLN 30 CO -0.51 0.28 -0.14 1.25 0.09 0.00 0.00 178.83 179.80 2yrj h HIS 31 N 0.05 0.46 -0.73 0.06 2.76 -0.20 -2.97 115.15 114.59 2yrj h HIS 31 Ca 0.01 -0.13 0.21 0.00 -2.20 0.00 0.00 60.37 58.26 2yrj h HIS 31 Cb 0.43 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.26 2yrj h HIS 31 CO 0.00 0.75 0.60 1.96 -1.30 0.00 0.00 177.93 179.94 2yrj h GLN 32 N 0.04 0.00 -0.06 5.26 4.20 -0.98 0.22 115.11 123.79 2yrj h GLN 32 Ca 0.03 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.76 2yrj h GLN 32 Cb 0.66 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 2yrj h GLN 32 CO 0.04 0.00 0.32 0.00 -0.67 0.00 0.00 178.83 178.52 2yrj h ARG 33 N 0.00 0.00 -0.14 1.46 3.08 -1.52 0.22 114.38 117.48 2yrj h ARG 33 Ca 0.35 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.24 2yrj h ARG 33 Cb 1.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.58 2yrj h ARG 33 CO -0.00 0.00 -0.56 -0.84 -1.07 0.00 0.00 179.97 177.50 2yrj h ILE 34 N 0.00 1.34 0.06 2.04 3.07 -0.75 -3.30 117.51 119.97 2yrj h ILE 34 Ca 0.03 -1.84 -0.11 0.00 1.55 0.00 0.00 64.86 64.49 2yrj h ILE 34 Cb 0.67 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 2yrj h ILE 34 CO -0.00 0.56 -0.52 0.45 -1.05 0.00 0.00 178.15 177.59 2yrj h HIS 35 N 0.34 0.22 -1.33 0.16 3.86 -0.76 -3.42 115.15 114.22 2yrj h HIS 35 Ca 0.00 -0.16 -0.39 0.00 -1.16 0.00 0.00 60.37 58.66 2yrj h HIS 35 Cb 1.08 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.50 2yrj h HIS 35 CO 0.04 1.20 1.04 0.95 0.86 0.00 0.00 177.93 182.01 2yrj s THR 36 N -2.32 3.41 -1.20 2.45 -4.23 -0.83 -4.66 115.64 108.26 2yrj s THR 36 Ca -0.18 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 2yrj s THR 36 Cb -0.00 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.85 2yrj s THR 36 CO 0.73 -0.94 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 2yrj n GLY 37 N 6.30 0.40 3.72 3.99 0.00 -1.26 -4.85 105.19 113.49 2yrj n GLY 37 Ca 0.30 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 2yrj n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yrj s GLU 38 N -1.26 4.41 0.19 1.61 2.56 -1.26 -5.07 118.70 119.87 2yrj s GLU 38 Ca 0.00 0.78 0.11 0.00 0.00 0.00 0.00 54.97 55.87 2yrj s GLU 38 Cb 0.00 -3.44 -0.04 0.00 2.00 0.00 0.00 34.13 32.65 2yrj s GLU 38 CO 0.00 0.11 -0.24 -1.59 -0.56 0.00 0.00 175.26 172.98 2yrj s LYS 39 N 0.69 1.50 0.85 4.30 0.00 -1.26 -4.93 119.74 120.89 2yrj s LYS 39 Ca 0.35 -1.50 -0.11 0.00 0.00 0.00 0.00 55.97 54.70 2yrj s LYS 39 Cb -0.17 -1.83 0.10 0.00 0.00 0.00 0.00 37.83 35.93 2yrj s LYS 39 CO 0.16 0.40 1.09 -1.25 0.00 0.00 0.00 175.35 175.76 2yrj s PRO 40 N -2.62 1.60 0.42 1.78 0.04 -1.26 -5.08 135.00 129.87 2yrj s PRO 40 Ca 0.20 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.21 2yrj s PRO 40 Cb -0.08 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2yrj s PRO 40 CO 0.09 -2.04 0.05 -1.54 0.04 0.00 0.00 177.00 173.61 2yrj s SER 41 N -3.42 3.27 0.00 6.66 1.04 -1.26 -4.99 113.70 115.01 2yrj s SER 41 Ca 0.63 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.52 2yrj s SER 41 Cb -0.18 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2yrj s SER 41 CO 0.57 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2yrj n GLY 42 N -0.96 1.57 3.77 7.32 0.00 -1.26 -5.05 105.19 110.57 2yrj n GLY 42 Ca -0.09 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 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 2.45 -0.24 1.61 0.04 -1.26 -5.04 135.00 132.56 2yrj s PRO 43 Ca 0.00 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.31 2yrj s PRO 43 Cb 0.00 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.67 2yrj s PRO 43 CO 0.00 -1.50 -0.12 -1.12 0.04 0.00 0.00 177.00 174.30 2yrj s SER 44 N -3.09 4.10 -0.02 6.66 0.01 -1.26 -5.11 113.70 114.99 2yrj s SER 44 Ca 0.63 -1.11 0.03 0.00 1.31 0.00 0.00 55.95 56.82 2yrj s SER 44 Cb -0.18 -1.56 -0.03 0.00 0.21 0.00 0.00 66.02 64.46 2yrj s SER 44 CO 0.51 -0.13 -0.10 -0.94 0.41 0.00 0.00 173.24 172.98 2yrj s SER 45 N 1.20 4.35 0.00 2.44 1.04 -1.26 -5.31 113.70 116.16 2yrj s SER 45 Ca -0.04 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2yrj s SER 45 Cb -0.18 -0.97 0.00 0.00 0.10 0.00 0.00 66.02 64.97 2yrj s SER 45 CO -0.07 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.07