#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 2.50 -0.19 1.61 1.04 -1.26 -5.14 113.70 112.27 2yrj s SER 2 Ca 0.00 -1.45 -0.07 0.00 0.48 0.00 0.00 55.95 54.91 2yrj s SER 2 Cb 0.00 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 2yrj s SER 2 CO 0.00 -0.68 0.06 -0.55 0.98 0.00 0.00 173.24 173.05 2yrj s SER 3 N -3.52 5.55 0.00 7.02 0.15 -1.26 -5.06 113.70 116.58 2yrj s SER 3 Ca 0.33 0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2yrj s SER 3 Cb 0.07 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 2yrj s SER 3 CO 0.15 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.36 2yrj n GLY 4 N 3.63 2.31 2.09 9.45 0.00 -1.26 -5.02 105.19 116.40 2yrj n GLY 4 Ca -0.17 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 2yrj n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yrj n SER 5 N 0.00 6.59 -1.69 1.61 3.41 -1.26 -4.66 113.62 117.63 2yrj n SER 5 Ca 0.00 -3.17 -0.06 0.00 -0.26 0.00 0.00 58.87 55.38 2yrj n SER 5 Cb 0.00 -1.10 -0.02 0.00 -0.26 0.00 0.00 64.21 62.83 2yrj n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yrj n SER 6 N 0.36 5.56 0.00 4.04 2.88 -1.26 -4.91 113.62 120.29 2yrj n SER 6 Ca 0.38 -2.56 0.00 0.00 -1.33 0.00 0.00 58.87 55.36 2yrj n SER 6 Cb 0.58 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 2yrj n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrj n GLY 7 N 1.46 1.44 3.57 0.46 0.00 -1.26 -5.06 105.19 105.80 2yrj n GLY 7 Ca 0.14 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 2yrj n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yrj s THR 8 N -2.12 3.09 -0.33 2.61 -4.23 -1.26 -4.84 115.64 108.56 2yrj s THR 8 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2yrj s THR 8 Cb 0.00 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 2yrj s THR 8 CO 0.00 -0.31 0.29 0.61 -0.54 0.00 0.00 174.62 174.67 2yrj n GLY 9 N -0.57 -0.05 3.76 3.99 0.00 -1.26 -5.04 105.19 106.02 2yrj n GLY 9 Ca -0.07 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.33 0.51 -0.28 1.61 2.02 -1.26 -4.99 118.70 112.97 2yrj s GLU 10 Ca 0.11 0.14 -0.02 0.00 0.02 0.00 0.00 54.97 55.22 2yrj s GLU 10 Cb -0.01 -1.78 0.04 0.00 0.10 0.00 0.00 34.13 32.47 2yrj s GLU 10 CO 0.26 -2.59 -0.01 0.15 0.02 0.00 0.00 175.26 173.08 2yrj s LYS 11 N -5.35 2.67 0.24 1.61 1.02 -1.26 -4.78 119.74 113.89 2yrj s LYS 11 Ca 0.67 -1.10 0.01 0.00 0.02 0.00 0.00 55.97 55.57 2yrj s LYS 11 Cb -0.13 -3.13 0.27 0.00 -0.52 0.00 0.00 37.83 34.32 2yrj s LYS 11 CO 0.54 -0.51 1.61 -1.00 -0.92 0.00 0.00 175.35 175.07 2yrj h PRO 12 N 8.04 0.44 -6.19 -1.68 0.13 -1.86 -3.43 132.00 127.45 2yrj h PRO 12 Ca -0.27 -0.23 -0.56 0.00 -0.87 0.00 0.00 66.00 64.06 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 0.56 0.80 0.57 0.71 -0.23 0.00 0.00 178.00 180.41 2yrj s TYR 13 N -4.14 3.48 -0.10 1.56 1.51 -1.24 -5.00 117.35 113.41 2yrj s TYR 13 Ca -0.06 1.53 -0.00 0.00 -1.01 0.00 0.00 57.07 57.52 2yrj s TYR 13 Cb 0.12 -3.17 0.02 0.00 -0.11 0.00 0.00 41.96 38.83 2yrj s TYR 13 CO 0.81 -0.26 -0.07 0.50 -1.11 0.00 0.00 175.55 175.42 2yrj s ARG 14 N 2.19 1.40 0.78 -0.62 3.52 -1.26 -1.35 118.95 123.60 2yrj s ARG 14 Ca 0.46 -0.21 -0.16 0.00 -0.13 0.00 0.00 55.73 55.69 2yrj s ARG 14 Cb -0.18 -1.48 -0.06 0.00 -1.56 0.00 0.00 34.95 31.67 2yrj s ARG 14 CO 0.15 -0.25 0.21 0.00 -0.81 0.00 0.00 175.30 174.60 2yrj n GLY 16 N 2.03 -0.80 0.13 0.00 0.00 -1.26 -3.37 105.19 101.91 2yrj n GLY 16 Ca 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.31 0.06 1.61 4.22 -1.99 -3.39 114.58 114.78 2yrj h GLU 17 Ca -0.52 0.02 -0.35 0.00 0.08 0.00 0.00 59.36 58.60 2yrj h GLU 17 Cb 2.09 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 31.38 2yrj h GLU 17 CO 0.00 -0.21 -1.94 0.00 -2.18 0.00 0.00 179.01 174.68 2yrj n GLY 19 N 1.81 1.79 2.16 0.00 0.00 -1.22 -5.05 105.19 104.68 2yrj n GLY 19 Ca -0.37 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.16 -3.64 -3.81 1.61 5.02 -1.26 -4.44 118.16 111.47 2yrj n LYS 20 Ca 0.00 -1.01 -0.09 0.00 -2.02 0.00 0.00 58.31 55.18 2yrj n LYS 20 Cb 0.00 -1.23 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.27 -0.38 -0.21 7.82 0.00 -1.26 0.31 121.76 125.78 2yrj s ALA 21 Ca 0.45 -0.46 -0.26 0.00 0.00 0.00 0.00 51.96 51.69 2yrj s ALA 21 Cb -0.07 0.50 0.07 0.00 0.00 0.00 0.00 23.12 23.62 2yrj s ALA 21 CO 0.37 -0.52 0.69 -0.06 0.00 0.00 0.00 175.76 176.24 2yrj s PHE 22 N -3.70 -0.73 0.19 0.00 0.40 -0.46 -4.95 117.98 108.74 2yrj s PHE 22 Ca 0.03 1.66 -0.09 0.00 -0.60 0.00 0.00 56.93 57.93 2yrj s PHE 22 Cb 0.04 0.29 0.11 0.00 0.51 0.00 0.00 43.02 43.97 2yrj s PHE 22 CO -0.10 -0.43 1.72 0.00 0.70 0.00 0.00 175.22 177.11 2yrj h ALA 23 N 4.53 0.90 -2.36 5.36 0.00 -1.87 -3.29 119.26 122.53 2yrj h ALA 23 Ca -0.28 -0.23 -0.60 0.00 0.00 0.00 0.00 54.91 53.80 2yrj h ALA 23 Cb 1.16 -0.26 -0.13 0.00 0.00 0.00 0.00 17.79 18.56 2yrj h ALA 23 CO 0.15 0.60 -0.72 -0.65 0.00 0.00 0.00 179.25 178.64 2yrj s GLN 24 N -5.36 1.94 -0.00 0.00 1.11 -1.26 -4.75 119.66 111.33 2yrj s GLN 24 Ca -0.12 -1.57 -0.24 0.00 0.01 0.00 0.00 55.36 53.44 2yrj s GLN 24 Cb 0.14 -1.96 -0.16 0.00 -1.01 0.00 0.00 33.01 30.02 2yrj s GLN 24 CO 0.84 0.36 1.17 0.87 0.01 0.00 0.00 175.29 178.54 2yrj h LYS 25 N 2.26 -0.35 -1.50 2.91 1.79 -2.00 -2.98 116.57 116.70 2yrj h LYS 25 Ca -0.43 0.02 0.47 0.00 -2.18 0.00 0.00 60.65 58.54 2yrj h LYS 25 Cb 1.25 0.08 -0.11 0.00 -1.58 0.00 0.00 32.23 31.86 2yrj h LYS 25 CO 0.59 -0.02 1.01 0.00 -1.08 0.00 0.00 179.45 179.95 2yrj h ALA 26 N -0.21 3.08 -0.01 3.86 0.00 -1.98 1.89 119.26 125.88 2yrj h ALA 26 Ca -0.04 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 2yrj h ALA 26 Cb 0.50 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2yrj h ALA 26 CO 0.06 -1.69 -0.88 -0.97 0.00 0.00 0.00 179.25 175.78 2yrj h ASN 27 N 0.04 0.42 0.02 0.00 -1.24 -1.95 -3.08 115.58 109.80 2yrj h ASN 27 Ca 0.85 -0.32 -0.00 0.00 0.71 0.00 0.00 56.30 57.53 2yrj h ASN 27 Cb 2.92 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 41.85 2yrj h ASN 27 CO -0.30 1.11 -0.01 0.25 -1.29 0.00 0.00 177.43 177.19 2yrj h LEU 28 N 0.19 -0.03 -0.90 0.34 5.85 0.28 -3.11 115.31 117.94 2yrj h LEU 28 Ca -0.06 -0.45 0.25 0.00 0.84 0.00 0.00 57.88 58.46 2yrj h LEU 28 Cb 1.49 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 42.39 2yrj h LEU 28 CO 0.14 0.69 0.29 0.74 -0.34 0.00 0.00 178.44 179.96 2yrj h THR 29 N -0.99 0.31 -0.11 1.05 2.02 -0.46 0.89 112.91 115.62 2yrj h THR 29 Ca -0.00 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 2yrj h THR 29 Cb 0.48 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2yrj h THR 29 CO 0.01 0.04 -0.29 0.06 0.37 0.00 0.00 175.52 175.71 2yrj h GLN 30 N 0.23 0.20 -0.10 6.66 3.07 -1.66 -3.06 115.11 120.45 2yrj h GLN 30 Ca 0.58 -0.07 -0.03 0.00 0.09 0.00 0.00 58.65 59.23 2yrj h GLN 30 Cb 1.21 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.75 2yrj h GLN 30 CO -0.65 0.48 -0.04 1.25 0.09 0.00 0.00 178.83 179.96 2yrj h HIS 31 N 0.18 0.24 -0.17 0.06 2.76 0.83 -2.80 115.15 116.25 2yrj h HIS 31 Ca 0.03 -0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.19 2yrj h HIS 31 Cb 0.61 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 2yrj h HIS 31 CO 0.01 0.54 0.44 1.96 -1.30 0.00 0.00 177.93 179.58 2yrj h GLN 32 N -0.14 0.00 -0.40 5.26 4.20 -1.08 0.95 115.11 123.90 2yrj h GLN 32 Ca 0.02 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.85 2yrj h GLN 32 Cb 0.48 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2yrj h GLN 32 CO 0.01 0.00 0.31 0.00 -0.67 0.00 0.00 178.83 178.48 2yrj h ARG 33 N 0.00 0.00 0.00 1.46 2.47 -1.51 0.14 114.38 116.94 2yrj h ARG 33 Ca 0.08 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.73 2yrj h ARG 33 Cb 0.96 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.27 2yrj h ARG 33 CO -0.00 0.00 -0.34 -0.84 0.56 0.00 0.00 179.97 179.35 2yrj h ILE 34 N 0.00 1.24 0.00 2.04 3.07 -0.99 -2.69 117.51 120.18 2yrj h ILE 34 Ca 0.19 -1.16 -0.19 0.00 1.55 0.00 0.00 64.86 65.25 2yrj h ILE 34 Cb 0.80 1.63 -0.03 0.00 -0.27 0.00 0.00 36.82 38.94 2yrj h ILE 34 CO -0.00 0.33 -1.01 0.45 -1.05 0.00 0.00 178.15 176.87 2yrj h HIS 35 N 0.00 0.00 -3.58 0.16 3.86 -0.91 -3.39 115.15 111.28 2yrj h HIS 35 Ca -0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.55 2yrj h HIS 35 Cb 0.60 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 28.83 2yrj h HIS 35 CO 0.00 0.86 -0.65 -0.08 0.86 0.00 0.00 177.93 178.92 2yrj s THR 36 N -2.77 4.07 0.00 2.45 -1.32 -0.93 -4.68 115.64 112.46 2yrj s THR 36 Ca 0.01 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 2yrj s THR 36 Cb 0.09 -2.91 0.00 0.00 -1.51 0.00 0.00 72.50 68.17 2yrj s THR 36 CO 0.80 0.34 0.00 0.61 -2.21 0.00 0.00 174.62 174.16 2yrj n GLY 37 N 4.89 2.56 3.85 6.08 0.00 -1.26 -4.74 105.19 116.57 2yrj n GLY 37 Ca -0.17 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 4.00 0.21 1.61 2.56 -1.26 -5.09 118.70 120.73 2yrj s GLU 38 Ca 0.00 0.58 0.07 0.00 0.00 0.00 0.00 54.97 55.62 2yrj s GLU 38 Cb 0.00 -2.68 -0.04 0.00 2.00 0.00 0.00 34.13 33.41 2yrj s GLU 38 CO 0.00 0.31 0.09 0.15 -0.56 0.00 0.00 175.26 175.26 2yrj s LYS 39 N -2.52 2.68 0.11 4.30 -0.14 -1.26 -4.82 119.74 118.08 2yrj s LYS 39 Ca 0.47 -1.07 -0.31 0.00 -1.36 0.00 0.00 55.97 53.69 2yrj s LYS 39 Cb -0.13 -2.47 -0.08 0.00 -1.68 0.00 0.00 37.83 33.48 2yrj s LYS 39 CO 0.19 0.43 1.37 -1.25 -0.76 0.00 0.00 175.35 175.33 2yrj s PRO 40 N -3.36 4.33 -0.58 -1.68 0.04 -1.26 -4.96 135.00 127.54 2yrj s PRO 40 Ca 0.31 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 63.10 2yrj s PRO 40 Cb -0.09 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.21 2yrj s PRO 40 CO 0.22 -0.42 1.32 0.45 0.04 0.00 0.00 177.00 178.62 2yrj s SER 41 N 1.11 6.25 0.00 6.66 0.15 -1.26 -4.85 113.70 121.76 2yrj s SER 41 Ca 0.64 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2yrj s SER 41 Cb -0.36 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.40 2yrj s SER 41 CO 0.30 -1.63 0.00 0.61 1.20 0.00 0.00 173.24 173.72 2yrj n GLY 42 N 5.19 2.92 3.56 9.45 0.00 -1.26 -5.02 105.19 120.02 2yrj n GLY 42 Ca 0.10 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.87 2.58 0.18 1.61 0.04 -1.26 -4.97 135.00 131.31 2yrj s PRO 43 Ca 0.00 0.06 -0.01 0.00 0.04 0.00 0.00 61.00 61.09 2yrj s PRO 43 Cb 0.00 -4.80 -0.04 0.00 0.04 0.00 0.00 34.50 29.69 2yrj s PRO 43 CO 0.00 -3.13 0.36 -1.54 0.04 0.00 0.00 177.00 172.73 2yrj s SER 44 N 8.07 6.39 0.29 6.66 1.04 -1.26 -5.11 113.70 129.78 2yrj s SER 44 Ca 0.69 0.37 -0.09 0.00 0.48 0.00 0.00 55.95 57.41 2yrj s SER 44 Cb -0.09 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.03 2yrj s SER 44 CO 0.07 -0.00 0.49 -0.94 0.98 0.00 0.00 173.24 173.84 2yrj s SER 45 N -3.05 0.31 0.00 7.02 1.04 -1.26 -5.22 113.70 112.54 2yrj s SER 45 Ca 0.38 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2yrj s SER 45 Cb -0.11 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2yrj s SER 45 CO 0.28 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.88