#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 7.01 -0.30 1.61 0.15 -1.26 -4.99 113.70 115.93 2yrj s SER 2 Ca 0.00 1.96 -0.05 0.00 0.70 0.00 0.00 55.95 58.56 2yrj s SER 2 Cb 0.00 -2.57 0.19 0.00 -1.71 0.00 0.00 66.02 61.93 2yrj s SER 2 CO 0.00 -0.57 0.79 -0.94 1.20 0.00 0.00 173.24 173.72 2yrj s SER 3 N 1.40 -1.01 0.00 5.45 1.04 -1.26 -5.15 113.70 114.17 2yrj s SER 3 Ca 0.59 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2yrj s SER 3 Cb -0.28 1.82 0.00 0.00 0.10 0.00 0.00 66.02 67.66 2yrj s SER 3 CO 0.26 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2yrj n GLY 4 N 5.43 1.99 3.68 7.32 0.00 -1.26 -5.11 105.19 117.23 2yrj n GLY 4 Ca -0.02 0.11 -0.49 0.00 0.00 0.00 0.00 46.02 45.62 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 3.32 -3.36 1.61 3.41 -1.26 -4.94 113.62 112.40 2yrj n SER 5 Ca 0.00 0.95 -0.11 0.00 -0.26 0.00 0.00 58.87 59.45 2yrj n SER 5 Cb 0.00 -1.35 -0.08 0.00 -0.26 0.00 0.00 64.21 62.52 2yrj n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yrj s SER 6 N 4.24 0.47 0.00 4.04 0.01 -1.26 -5.10 113.70 116.10 2yrj s SER 6 Ca 0.94 0.05 0.00 0.00 1.31 0.00 0.00 55.95 58.25 2yrj s SER 6 Cb -0.72 1.00 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2yrj s SER 6 CO 0.53 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2yrj n GLY 7 N 5.36 0.32 3.45 3.44 0.00 -1.26 -5.02 105.19 111.48 2yrj n GLY 7 Ca -0.03 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 2yrj n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2yrj s THR 8 N 0.00 -0.00 0.00 2.61 -1.32 -1.26 -5.15 115.64 110.52 2yrj s THR 8 Ca 0.00 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 2yrj s THR 8 Cb 0.00 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 2yrj s THR 8 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2yrj n GLY 9 N 3.08 3.66 3.96 6.08 0.00 -1.26 -5.13 105.19 115.58 2yrj n GLY 9 Ca -0.15 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 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 -4.73 2.72 -0.28 1.61 8.01 -1.26 -5.07 118.70 119.70 2yrj s GLU 10 Ca 0.00 -1.35 0.01 0.00 0.01 0.00 0.00 54.97 53.63 2yrj s GLU 10 Cb 0.00 -2.62 0.05 0.00 -4.31 0.00 0.00 34.13 27.25 2yrj s GLU 10 CO 0.00 -0.26 -0.06 0.15 0.01 0.00 0.00 175.26 175.10 2yrj s LYS 11 N -4.28 2.35 0.25 1.61 1.02 -1.26 -4.71 119.74 114.72 2yrj s LYS 11 Ca 0.53 -1.29 0.03 0.00 0.02 0.00 0.00 55.97 55.25 2yrj s LYS 11 Cb -0.08 -3.01 0.32 0.00 -0.52 0.00 0.00 37.83 34.54 2yrj s LYS 11 CO 0.31 -0.58 1.63 -1.00 -0.92 0.00 0.00 175.35 174.79 2yrj h PRO 12 N 7.88 0.36 -6.13 -1.68 0.13 -1.86 -3.43 132.00 127.26 2yrj h PRO 12 Ca -0.21 -0.19 -0.57 0.00 -0.87 0.00 0.00 66.00 64.16 2yrj h PRO 12 Cb 1.05 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 2yrj h PRO 12 CO 0.50 0.75 0.49 0.71 -0.23 0.00 0.00 178.00 180.21 2yrj s TYR 13 N -4.10 3.48 -0.11 1.56 1.51 -1.24 -5.00 117.35 113.44 2yrj s TYR 13 Ca -0.05 1.46 -0.01 0.00 -1.01 0.00 0.00 57.07 57.46 2yrj s TYR 13 Cb 0.13 -3.11 0.03 0.00 -0.11 0.00 0.00 41.96 38.89 2yrj s TYR 13 CO 0.80 -0.22 -0.07 0.50 -1.11 0.00 0.00 175.55 175.45 2yrj s ARG 14 N 2.04 1.43 0.62 -0.62 3.52 -1.26 -1.41 118.95 123.27 2yrj s ARG 14 Ca 0.44 -0.23 -0.17 0.00 -0.13 0.00 0.00 55.73 55.64 2yrj s ARG 14 Cb -0.18 -1.55 -0.09 0.00 -1.56 0.00 0.00 34.95 31.57 2yrj s ARG 14 CO 0.16 -0.28 0.32 0.00 -0.81 0.00 0.00 175.30 174.68 2yrj n GLY 16 N 1.99 -0.97 0.13 0.00 0.00 -1.26 -3.17 105.19 101.91 2yrj n GLY 16 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.30 0.05 1.61 4.57 -1.99 -3.39 114.58 115.12 2yrj h GLU 17 Ca -0.51 0.02 -0.35 0.00 -1.18 0.00 0.00 59.36 57.34 2yrj h GLU 17 Cb 2.20 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 30.82 2yrj h GLU 17 CO 0.03 -0.20 -1.97 0.00 -1.18 0.00 0.00 179.01 175.69 2yrj n GLY 19 N 1.78 1.83 1.62 0.00 0.00 -1.19 -5.05 105.19 104.18 2yrj n GLY 19 Ca -0.38 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.02 -3.23 -3.75 1.61 5.02 -1.26 -4.45 118.16 112.09 2yrj n LYS 20 Ca 0.00 -0.76 -0.10 0.00 -2.02 0.00 0.00 58.31 55.43 2yrj n LYS 20 Cb 0.00 -0.93 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.22 -0.60 -0.25 7.82 0.00 -1.26 -0.02 121.76 125.23 2yrj s ALA 21 Ca 0.34 -0.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.79 2yrj s ALA 21 Cb -0.06 0.54 0.07 0.00 0.00 0.00 0.00 23.12 23.67 2yrj s ALA 21 CO 0.28 -0.55 0.70 -0.06 0.00 0.00 0.00 175.76 176.13 2yrj s PHE 22 N -3.59 -0.76 0.24 0.00 0.40 -0.50 -4.95 117.98 108.82 2yrj s PHE 22 Ca 0.02 1.82 -0.05 0.00 -0.60 0.00 0.00 56.93 58.12 2yrj s PHE 22 Cb 0.03 0.27 0.25 0.00 0.51 0.00 0.00 43.02 44.08 2yrj s PHE 22 CO -0.10 -0.39 1.75 0.00 0.70 0.00 0.00 175.22 177.18 2yrj h ALA 23 N 4.87 1.05 -4.27 5.36 0.00 -1.87 -3.30 119.26 121.10 2yrj h ALA 23 Ca -0.29 -0.25 -0.69 0.00 0.00 0.00 0.00 54.91 53.68 2yrj h ALA 23 Cb 1.16 -0.23 -0.26 0.00 0.00 0.00 0.00 17.79 18.46 2yrj h ALA 23 CO 0.09 0.61 -0.88 -0.65 0.00 0.00 0.00 179.25 178.42 2yrj s GLN 24 N -5.14 1.76 0.10 0.00 1.11 -1.26 -4.76 119.66 111.46 2yrj s GLN 24 Ca -0.11 -1.13 -0.27 0.00 0.01 0.00 0.00 55.36 53.86 2yrj s GLN 24 Cb 0.15 -1.97 -0.11 0.00 -1.01 0.00 0.00 33.01 30.07 2yrj s GLN 24 CO 0.83 0.50 1.66 0.87 0.01 0.00 0.00 175.29 179.16 2yrj h LYS 25 N 4.71 -0.45 -1.55 2.91 1.79 -1.99 -1.85 116.57 120.14 2yrj h LYS 25 Ca -0.47 0.03 0.50 0.00 -2.18 0.00 0.00 60.65 58.53 2yrj h LYS 25 Cb 1.14 0.10 -0.12 0.00 -1.58 0.00 0.00 32.23 31.78 2yrj h LYS 25 CO 0.43 -0.30 1.04 0.00 -1.08 0.00 0.00 179.45 179.54 2yrj h ALA 26 N 0.26 3.13 0.03 3.86 0.00 -1.98 2.01 119.26 126.57 2yrj h ALA 26 Ca 0.00 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 2yrj h ALA 26 Cb 0.44 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2yrj h ALA 26 CO -0.07 -1.77 -0.99 -0.97 0.00 0.00 0.00 179.25 175.45 2yrj h ASN 27 N 0.02 0.47 0.05 0.00 -0.73 -1.76 -3.17 115.58 110.47 2yrj h ASN 27 Ca 0.88 -0.40 -0.00 0.00 1.87 0.00 0.00 56.30 58.65 2yrj h ASN 27 Cb 3.06 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 41.51 2yrj h ASN 27 CO -0.32 1.22 -0.03 0.25 -0.37 0.00 0.00 177.43 178.19 2yrj h LEU 28 N 0.18 -0.06 -0.97 0.34 5.85 0.32 -3.10 115.31 117.87 2yrj h LEU 28 Ca -0.08 -0.48 0.30 0.00 0.84 0.00 0.00 57.88 58.46 2yrj h LEU 28 Cb 1.64 0.02 -0.15 0.00 0.37 0.00 0.00 40.66 42.54 2yrj h LEU 28 CO 0.17 0.64 0.47 0.74 -0.34 0.00 0.00 178.44 180.12 2yrj h THR 29 N -0.96 0.28 0.00 1.05 2.02 -0.41 1.23 112.91 116.13 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 0.54 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2yrj h THR 29 CO 0.01 0.05 -0.50 0.06 0.37 0.00 0.00 175.52 175.52 2yrj h GLN 30 N 0.27 0.00 -0.33 6.66 3.07 -1.65 -3.08 115.11 120.05 2yrj h GLN 30 Ca 0.69 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 59.31 2yrj h GLN 30 Cb 1.55 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.11 2yrj h GLN 30 CO -0.64 0.50 -0.25 1.25 0.09 0.00 0.00 178.83 179.77 2yrj h HIS 31 N 0.00 0.90 -0.00 0.06 2.76 0.16 -2.78 115.15 116.25 2yrj h HIS 31 Ca -0.00 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 57.91 2yrj h HIS 31 Cb 0.88 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.65 2yrj h HIS 31 CO 0.00 1.01 0.24 1.96 -1.30 0.00 0.00 177.93 179.84 2yrj h GLN 32 N 0.54 0.00 0.00 5.26 4.20 -1.14 0.14 115.11 124.10 2yrj h GLN 32 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2yrj h GLN 32 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2yrj h GLN 32 CO 0.07 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 2yrj h ARG 33 N 0.00 0.00 -0.09 1.46 2.47 -1.56 -1.74 114.38 114.91 2yrj h ARG 33 Ca 0.00 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 2yrj h ARG 33 Cb 0.49 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 2yrj h ARG 33 CO -0.00 0.00 -0.68 -0.84 0.56 0.00 0.00 179.97 179.01 2yrj h ILE 34 N 0.00 1.37 0.00 2.04 3.07 -0.91 -3.32 117.51 119.77 2yrj h ILE 34 Ca 0.00 -2.07 -0.00 0.00 1.55 0.00 0.00 64.86 64.34 2yrj h ILE 34 Cb 0.15 2.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.74 2yrj h ILE 34 CO 0.00 0.62 -0.00 0.45 -1.05 0.00 0.00 178.15 178.17 2yrj h HIS 35 N 0.28 -0.00 -0.02 0.16 3.86 -1.50 -3.38 115.15 114.54 2yrj h HIS 35 Ca -0.02 -0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.49 2yrj h HIS 35 Cb 1.24 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.68 2yrj h HIS 35 CO 0.04 0.88 1.18 0.25 0.86 0.00 0.00 177.93 181.14 2yrj n THR 36 N -4.63 0.00 0.00 2.45 -2.24 -0.98 -1.81 114.28 107.07 2yrj n THR 36 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2yrj n THR 36 Cb 0.42 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 6.70 2.06 3.28 3.38 0.00 -1.26 -4.91 105.19 114.44 2yrj n GLY 37 Ca 0.49 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.34 -0.01 1.61 2.02 -0.75 -5.16 118.70 116.75 2yrj s GLU 38 Ca 0.00 1.01 -0.00 0.00 0.02 0.00 0.00 54.97 56.00 2yrj s GLU 38 Cb 0.00 0.29 -0.04 0.00 0.10 0.00 0.00 34.13 34.49 2yrj s GLU 38 CO 0.00 -0.24 0.07 -1.59 0.02 0.00 0.00 175.26 173.52 2yrj s LYS 39 N 2.45 3.04 -0.71 1.61 0.00 -1.25 -4.66 119.74 120.22 2yrj s LYS 39 Ca -0.03 -0.49 -0.26 0.00 0.00 0.00 0.00 55.97 55.19 2yrj s LYS 39 Cb -0.11 -2.84 -0.03 0.00 0.00 0.00 0.00 37.83 34.84 2yrj s LYS 39 CO -0.13 0.65 1.89 -1.25 0.00 0.00 0.00 175.35 176.51 2yrj s PRO 40 N -1.67 2.60 0.06 1.78 0.04 -1.26 -4.87 135.00 131.69 2yrj s PRO 40 Ca 0.22 0.31 -0.36 0.00 0.04 0.00 0.00 61.00 61.21 2yrj s PRO 40 Cb -0.12 -4.61 -0.19 0.00 0.04 0.00 0.00 34.50 29.62 2yrj s PRO 40 CO 0.13 -2.95 1.54 0.66 0.04 0.00 0.00 177.00 176.42 2yrj h SER 41 N 13.75 -1.15 0.00 6.66 4.64 -2.03 -3.48 113.55 131.95 2yrj h SER 41 Ca -0.14 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2yrj h SER 41 Cb 1.11 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2yrj h SER 41 CO 1.22 -0.75 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 2yrj n GLY 42 N -1.62 0.47 0.20 -0.77 0.00 -1.26 -3.67 105.19 98.55 2yrj n GLY 42 Ca -0.15 -0.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.95 2yrj n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrj h PRO 43 N 0.00 0.33 -7.05 1.61 0.13 -2.00 -3.47 132.00 121.55 2yrj h PRO 43 Ca 0.00 -0.17 -0.61 0.00 -0.87 0.00 0.00 66.00 64.35 2yrj h PRO 43 Cb 0.00 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 30.86 2yrj h PRO 43 CO 0.00 0.72 -0.92 0.43 -0.23 0.00 0.00 178.00 178.00 2yrj n SER 44 N -4.00 -0.92 -4.41 1.44 7.64 -1.24 0.56 113.62 112.70 2yrj n SER 44 Ca -0.02 -1.21 -0.39 0.00 1.01 0.00 0.00 58.87 58.27 2yrj n SER 44 Cb 0.52 -1.88 -0.07 0.00 -1.01 0.00 0.00 64.21 61.78 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 -2.68 -1.75 -0.37 6.43 3.41 -1.26 -5.24 113.62 112.16 2yrj n SER 45 Ca -0.08 -1.18 0.05 0.00 -0.26 0.00 0.00 58.87 57.40 2yrj n SER 45 Cb 0.56 -1.97 0.04 0.00 -0.26 0.00 0.00 64.21 62.58 2yrj n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49