#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 6.59 0.02 1.61 0.01 -1.26 -5.09 113.70 115.59 2yrj s SER 2 Ca 0.00 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.96 2yrj s SER 2 Cb 0.00 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 2yrj s SER 2 CO 0.00 0.23 -0.04 -0.94 0.41 0.00 0.00 173.24 172.90 2yrj s SER 3 N -0.35 0.32 -0.32 2.44 1.04 -1.26 -5.05 113.70 110.51 2yrj s SER 3 Ca 0.20 -0.48 -0.04 0.00 0.48 0.00 0.00 55.95 56.11 2yrj s SER 3 Cb -0.14 0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.06 2yrj s SER 3 CO 0.08 -0.27 2.87 0.61 0.98 0.00 0.00 173.24 177.51 2yrj n GLY 4 N 1.67 3.96 0.06 7.32 0.00 -1.26 -4.48 105.19 112.45 2yrj n GLY 4 Ca -0.23 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.16 2yrj n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yrj h SER 5 N 2.78 0.00 -3.97 1.61 0.87 -2.03 -3.46 113.55 109.35 2yrj h SER 5 Ca 0.32 -0.17 -0.48 0.00 -1.23 0.00 0.00 61.79 60.23 2yrj h SER 5 Cb 0.93 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.92 2yrj h SER 5 CO 0.69 0.63 0.42 -0.55 -0.53 0.00 0.00 176.83 177.48 2yrj s SER 6 N -5.70 6.71 0.00 6.23 0.15 -1.26 -5.06 113.70 114.77 2yrj s SER 6 Ca -0.05 2.05 0.00 0.00 0.70 0.00 0.00 55.95 58.65 2yrj s SER 6 Cb -0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2yrj s SER 6 CO 0.14 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2yrj n GLY 7 N 0.33 5.04 0.17 9.45 0.00 -1.26 -5.04 105.19 113.88 2yrj n GLY 7 Ca 0.05 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2yrj n GLY 7 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2yrj h THR 8 N 0.65 1.34 0.00 2.61 1.35 -2.02 -3.47 112.91 113.37 2yrj h THR 8 Ca 0.00 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 2yrj h THR 8 Cb 0.00 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 2yrj h THR 8 CO 0.00 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 2yrj n GLY 9 N -0.13 1.61 3.34 5.82 0.00 -1.26 -4.79 105.19 109.79 2yrj n GLY 9 Ca -0.02 0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.56 -0.29 1.61 2.02 -1.26 -5.14 118.70 117.20 2yrj s GLU 10 Ca 0.00 -1.88 -0.01 0.00 0.02 0.00 0.00 54.97 53.10 2yrj s GLU 10 Cb 0.00 -0.20 0.05 0.00 0.10 0.00 0.00 34.13 34.08 2yrj s GLU 10 CO 0.00 -0.40 -0.03 0.15 0.02 0.00 0.00 175.26 175.01 2yrj s LYS 11 N -3.88 2.42 0.25 1.61 1.02 -1.26 -4.73 119.74 115.16 2yrj s LYS 11 Ca 0.36 -1.26 0.02 0.00 0.02 0.00 0.00 55.97 55.10 2yrj s LYS 11 Cb 0.06 -3.11 0.29 0.00 -0.52 0.00 0.00 37.83 34.55 2yrj s LYS 11 CO 0.16 -0.59 1.62 -1.00 -0.92 0.00 0.00 175.35 174.61 2yrj h PRO 12 N 7.95 0.41 -6.26 -1.68 0.13 -1.85 -3.43 132.00 127.27 2yrj h PRO 12 Ca -0.21 -0.22 -0.55 0.00 -0.87 0.00 0.00 66.00 64.15 2yrj h PRO 12 Cb 1.06 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 2yrj h PRO 12 CO 0.52 0.78 0.46 0.71 -0.23 0.00 0.00 178.00 180.23 2yrj s TYR 13 N -4.13 3.55 -0.09 1.56 1.51 -1.24 -5.00 117.35 113.51 2yrj s TYR 13 Ca -0.06 1.57 -0.00 0.00 -1.01 0.00 0.00 57.07 57.57 2yrj s TYR 13 Cb 0.13 -3.13 0.02 0.00 -0.11 0.00 0.00 41.96 38.87 2yrj s TYR 13 CO 0.80 -0.14 -0.06 0.50 -1.11 0.00 0.00 175.55 175.55 2yrj s ARG 14 N 1.64 1.21 0.73 -0.62 3.52 -1.26 -1.44 118.95 122.73 2yrj s ARG 14 Ca 0.48 -0.15 -0.16 0.00 -0.13 0.00 0.00 55.73 55.76 2yrj s ARG 14 Cb -0.19 -1.31 -0.05 0.00 -1.56 0.00 0.00 34.95 31.83 2yrj s ARG 14 CO 0.20 -0.23 0.37 0.00 -0.81 0.00 0.00 175.30 174.83 2yrj n GLY 16 N 1.85 -0.87 0.17 0.00 0.00 -1.26 -3.28 105.19 101.80 2yrj n GLY 16 Ca 0.09 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.42 0.05 1.61 4.57 -1.99 -3.39 114.58 115.02 2yrj h GLU 17 Ca -0.53 0.03 -0.37 0.00 -1.18 0.00 0.00 59.36 57.31 2yrj h GLU 17 Cb 2.16 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 30.80 2yrj h GLU 17 CO 0.01 -0.28 -2.11 0.00 -1.18 0.00 0.00 179.01 175.46 2yrj n GLY 19 N 1.91 1.68 2.93 0.00 0.00 -1.20 -5.05 105.19 105.46 2yrj n GLY 19 Ca -0.39 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.17 -4.65 -3.88 1.61 5.02 -1.26 -4.39 118.16 110.44 2yrj n LYS 20 Ca 0.00 -1.35 -0.09 0.00 -2.02 0.00 0.00 58.31 54.85 2yrj n LYS 20 Cb 0.00 -1.75 -0.08 0.00 -0.02 0.00 0.00 35.03 33.19 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 -2.13 -0.16 -0.21 7.82 0.00 -1.26 0.87 121.76 126.69 2yrj s ALA 21 Ca 0.62 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 51.69 2yrj s ALA 21 Cb -0.11 0.44 0.07 0.00 0.00 0.00 0.00 23.12 23.52 2yrj s ALA 21 CO 0.52 -0.48 0.67 -0.06 0.00 0.00 0.00 175.76 176.41 2yrj s PHE 22 N -3.72 -0.72 0.28 0.00 0.40 -0.52 -4.95 117.98 108.75 2yrj s PHE 22 Ca 0.04 1.66 -0.02 0.00 -0.60 0.00 0.00 56.93 58.01 2yrj s PHE 22 Cb 0.05 0.28 0.39 0.00 0.51 0.00 0.00 43.02 44.25 2yrj s PHE 22 CO -0.10 -0.41 1.84 0.00 0.70 0.00 0.00 175.22 177.25 2yrj h ALA 23 N 4.62 1.23 -2.30 5.36 0.00 -1.87 -3.29 119.26 123.01 2yrj h ALA 23 Ca -0.28 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 53.83 2yrj h ALA 23 Cb 1.16 -0.23 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 2yrj h ALA 23 CO 0.14 0.55 -0.75 -0.65 0.00 0.00 0.00 179.25 178.54 2yrj s GLN 24 N -5.29 1.77 -0.02 0.00 1.11 -1.26 -4.74 119.66 111.23 2yrj s GLN 24 Ca -0.10 -1.69 -0.24 0.00 0.01 0.00 0.00 55.36 53.34 2yrj s GLN 24 Cb 0.16 -1.85 -0.18 0.00 -1.01 0.00 0.00 33.01 30.14 2yrj s GLN 24 CO 0.80 0.34 1.14 0.87 0.01 0.00 0.00 175.29 178.45 2yrj h LYS 25 N 2.29 -0.19 -1.34 2.91 1.79 -1.99 -3.06 116.57 116.98 2yrj h LYS 25 Ca -0.41 0.01 0.42 0.00 -2.18 0.00 0.00 60.65 58.49 2yrj h LYS 25 Cb 1.25 0.04 -0.12 0.00 -1.58 0.00 0.00 32.23 31.83 2yrj h LYS 25 CO 0.59 0.22 0.88 0.00 -1.08 0.00 0.00 179.45 180.06 2yrj h ALA 26 N 0.03 2.80 -0.04 3.86 0.00 -1.98 1.67 119.26 125.60 2yrj h ALA 26 Ca -0.02 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2yrj h ALA 26 Cb 0.50 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2yrj h ALA 26 CO 0.03 -1.38 -0.72 -0.97 0.00 0.00 0.00 179.25 176.21 2yrj h ASN 27 N 0.11 0.27 0.00 0.00 -0.73 -1.96 -2.94 115.58 110.33 2yrj h ASN 27 Ca 0.79 -0.18 -0.00 0.00 1.87 0.00 0.00 56.30 58.78 2yrj h ASN 27 Cb 2.54 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 41.05 2yrj h ASN 27 CO -0.35 0.90 -0.01 0.25 -0.37 0.00 0.00 177.43 177.86 2yrj h LEU 28 N 0.15 0.00 -0.83 0.34 5.85 0.23 -3.10 115.31 117.95 2yrj h LEU 28 Ca -0.02 -0.63 0.20 0.00 0.84 0.00 0.00 57.88 58.27 2yrj h LEU 28 Cb 1.28 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.19 2yrj h LEU 28 CO 0.11 0.82 0.26 0.74 -0.34 0.00 0.00 178.44 180.03 2yrj h THR 29 N -1.00 0.44 0.00 1.05 2.02 -0.47 0.58 112.91 115.53 2yrj h THR 29 Ca -0.00 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 2yrj h THR 29 Cb 0.63 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2yrj h THR 29 CO -0.00 0.05 -0.34 0.06 0.37 0.00 0.00 175.52 175.67 2yrj h GLN 30 N 0.29 0.00 -0.34 6.66 3.07 -1.64 -2.89 115.11 120.25 2yrj h GLN 30 Ca 0.50 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 59.11 2yrj h GLN 30 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.48 2yrj h GLN 30 CO -0.56 0.34 -0.27 1.25 0.09 0.00 0.00 178.83 179.67 2yrj h HIS 31 N 0.00 0.94 -0.03 0.06 2.76 0.20 -2.80 115.15 116.28 2yrj h HIS 31 Ca -0.00 -0.26 0.01 0.00 -2.20 0.00 0.00 60.37 57.91 2yrj h HIS 31 Cb 0.60 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.35 2yrj h HIS 31 CO 0.00 1.03 0.29 1.96 -1.30 0.00 0.00 177.93 179.91 2yrj h GLN 32 N 0.58 0.00 0.00 5.26 4.20 -0.99 0.15 115.11 124.30 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 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 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 -0.15 1.46 2.47 -1.56 -1.57 114.38 115.04 2yrj h ARG 33 Ca 0.01 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.56 2yrj h ARG 33 Cb 0.59 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2yrj h ARG 33 CO -0.00 0.00 -0.62 -0.84 0.56 0.00 0.00 179.97 179.07 2yrj h ILE 34 N 0.00 1.34 0.01 2.04 3.07 -0.89 -3.32 117.51 119.76 2yrj h ILE 34 Ca 0.00 -1.92 -0.00 0.00 1.55 0.00 0.00 64.86 64.49 2yrj h ILE 34 Cb 0.10 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 2yrj h ILE 34 CO 0.00 0.59 -0.00 0.45 -1.05 0.00 0.00 178.15 178.14 2yrj h HIS 35 N 0.38 -0.01 -0.31 0.16 3.86 -1.48 -3.41 115.15 114.35 2yrj h HIS 35 Ca -0.01 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2yrj h HIS 35 Cb 1.18 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.65 2yrj h HIS 35 CO 0.05 0.81 0.06 0.95 0.86 0.00 0.00 177.93 180.65 2yrj s THR 36 N -2.38 3.03 0.00 2.45 -4.23 -0.97 -2.42 115.64 111.12 2yrj s THR 36 Ca -0.16 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 2yrj s THR 36 Cb -0.02 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2yrj s THR 36 CO 0.60 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 2yrj n GLY 37 N 6.66 1.30 3.69 3.99 0.00 -1.26 -4.91 105.19 114.66 2yrj n GLY 37 Ca 0.45 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 4.21 -0.06 1.61 -1.05 -1.02 -5.08 118.70 117.32 2yrj s GLU 38 Ca 0.00 0.21 0.03 0.00 -0.15 0.00 0.00 54.97 55.06 2yrj s GLU 38 Cb 0.00 -3.50 -0.02 0.00 -0.44 0.00 0.00 34.13 30.16 2yrj s GLU 38 CO 0.00 0.04 -0.13 0.21 0.95 0.00 0.00 175.26 176.33 2yrj s LYS 39 N 1.05 2.66 -1.05 -4.83 2.20 -1.26 -4.98 119.74 113.54 2yrj s LYS 39 Ca 0.19 -0.67 -0.24 0.00 -0.36 0.00 0.00 55.97 54.89 2yrj s LYS 39 Cb -0.14 -2.44 -0.07 0.00 -1.51 0.00 0.00 37.83 33.66 2yrj s LYS 39 CO 0.07 0.57 1.94 -1.25 -0.36 0.00 0.00 175.35 176.33 2yrj s PRO 40 N -0.58 2.52 0.13 4.03 0.04 -1.26 -4.87 135.00 135.01 2yrj s PRO 40 Ca 0.08 -0.73 -0.14 0.00 0.04 0.00 0.00 61.00 60.25 2yrj s PRO 40 Cb -0.11 -5.15 0.02 0.00 0.04 0.00 0.00 34.50 29.29 2yrj s PRO 40 CO 0.01 -3.69 0.35 0.45 0.04 0.00 0.00 177.00 174.16 2yrj s SER 41 N 7.26 -0.13 0.00 6.66 0.15 -1.26 -5.16 113.70 121.23 2yrj s SER 41 Ca 0.69 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.87 2yrj s SER 41 Cb -0.04 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 2yrj s SER 41 CO 0.06 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.26 2yrj n GLY 42 N -0.20 0.44 3.60 9.45 0.00 -1.26 -5.07 105.19 112.15 2yrj n GLY 42 Ca -0.14 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 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 3.40 0.31 1.61 0.04 -1.26 -5.00 135.00 132.10 2yrj s PRO 43 Ca 0.00 1.31 0.07 0.00 0.04 0.00 0.00 61.00 62.41 2yrj s PRO 43 Cb 0.00 -4.15 -0.02 0.00 0.04 0.00 0.00 34.50 30.36 2yrj s PRO 43 CO 0.00 -1.78 0.33 -1.54 0.04 0.00 0.00 177.00 174.05 2yrj s SER 44 N 5.52 5.63 -0.00 6.66 1.04 -1.26 -5.06 113.70 126.24 2yrj s SER 44 Ca 0.75 -0.30 -0.01 0.00 0.48 0.00 0.00 55.95 56.87 2yrj s SER 44 Cb -0.20 -1.23 -0.00 0.00 0.10 0.00 0.00 66.02 64.69 2yrj s SER 44 CO 0.33 -0.28 -0.01 -0.24 0.98 0.00 0.00 173.24 174.02 2yrj n SER 45 N -1.41 0.15 0.00 7.02 2.88 -1.26 -5.32 113.62 115.67 2yrj n SER 45 Ca -0.03 0.02 0.15 0.00 -1.33 0.00 0.00 58.87 57.68 2yrj n SER 45 Cb 0.59 -0.05 0.90 0.00 -0.75 0.00 0.00 64.21 64.90 2yrj n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42