#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 6.07 -0.26 1.61 0.01 -1.26 -5.01 113.70 114.86 2yrj s SER 2 Ca 0.00 -1.30 -0.07 0.00 1.31 0.00 0.00 55.95 55.90 2yrj s SER 2 Cb 0.00 -2.15 0.12 0.00 0.21 0.00 0.00 66.02 64.20 2yrj s SER 2 CO 0.00 -0.61 0.53 -0.94 0.41 0.00 0.00 173.24 172.63 2yrj s SER 3 N 2.42 -0.71 0.00 2.44 1.04 -1.26 -5.09 113.70 112.54 2yrj s SER 3 Ca 0.04 1.13 0.00 0.00 0.48 0.00 0.00 55.95 57.60 2yrj s SER 3 Cb -0.23 1.82 0.00 0.00 0.10 0.00 0.00 66.02 67.70 2yrj s SER 3 CO 0.06 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2yrj n GLY 4 N 5.42 -3.15 3.55 7.32 0.00 -1.26 -5.12 105.19 111.95 2yrj n GLY 4 Ca -0.08 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 2.99 0.04 1.61 1.04 -1.26 -5.08 113.70 113.03 2yrj s SER 5 Ca 0.00 -1.64 -0.27 0.00 0.48 0.00 0.00 55.95 54.52 2yrj s SER 5 Cb 0.00 0.45 -0.15 0.00 0.10 0.00 0.00 66.02 66.42 2yrj s SER 5 CO 0.00 -0.89 1.33 0.28 0.98 0.00 0.00 173.24 174.95 2yrj h SER 6 N 1.74 -0.83 -3.75 7.02 0.02 -2.08 -3.49 113.55 112.19 2yrj h SER 6 Ca -0.37 0.03 0.18 0.00 -0.84 0.00 0.00 61.79 60.79 2yrj h SER 6 Cb 1.28 0.21 -0.08 0.00 0.14 0.00 0.00 62.40 63.96 2yrj h SER 6 CO 0.61 -0.56 -0.47 0.61 -1.14 0.00 0.00 176.83 175.87 2yrj n GLY 7 N -1.28 -2.40 3.40 -3.77 0.00 -1.26 -5.03 105.19 94.85 2yrj n GLY 7 Ca -0.12 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.77 0.01 0.00 2.61 2.01 -1.26 -5.09 115.64 111.15 2yrj s THR 8 Ca 0.00 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.88 2yrj s THR 8 Cb 0.00 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.75 2yrj s THR 8 CO 0.00 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 2yrj n GLY 9 N 1.99 1.72 3.73 4.40 0.00 -1.26 -5.17 105.19 110.61 2yrj n GLY 9 Ca -0.17 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.07 2.25 -0.26 1.61 2.02 -1.26 -5.12 118.70 117.87 2yrj s GLU 10 Ca 0.00 -1.76 0.01 0.00 0.02 0.00 0.00 54.97 53.24 2yrj s GLU 10 Cb 0.00 -2.03 0.05 0.00 0.10 0.00 0.00 34.13 32.24 2yrj s GLU 10 CO 0.00 -0.04 -0.08 0.15 0.02 0.00 0.00 175.26 175.31 2yrj s LYS 11 N -3.88 2.48 0.27 1.61 1.02 -1.26 -4.76 119.74 115.21 2yrj s LYS 11 Ca 0.40 -1.20 0.04 0.00 0.02 0.00 0.00 55.97 55.23 2yrj s LYS 11 Cb 0.02 -2.95 0.36 0.00 -0.52 0.00 0.00 37.83 34.74 2yrj s LYS 11 CO 0.22 -0.51 1.65 -1.00 -0.92 0.00 0.00 175.35 174.79 2yrj h PRO 12 N 7.89 0.30 -6.28 -1.68 0.13 -1.88 -3.44 132.00 127.05 2yrj h PRO 12 Ca -0.25 -0.16 -0.56 0.00 -0.87 0.00 0.00 66.00 64.17 2yrj h PRO 12 Cb 1.07 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2yrj h PRO 12 CO 0.52 0.70 0.54 0.71 -0.23 0.00 0.00 178.00 180.24 2yrj s TYR 13 N -4.08 3.53 -0.09 1.56 1.51 -1.24 -5.00 117.35 113.55 2yrj s TYR 13 Ca -0.05 1.61 -0.01 0.00 -1.01 0.00 0.00 57.07 57.61 2yrj s TYR 13 Cb 0.13 -3.18 0.03 0.00 -0.11 0.00 0.00 41.96 38.83 2yrj s TYR 13 CO 0.79 -0.19 -0.03 0.50 -1.11 0.00 0.00 175.55 175.50 2yrj s ARG 14 N 1.86 0.99 0.67 -0.62 3.52 -1.26 -1.39 118.95 122.72 2yrj s ARG 14 Ca 0.49 -0.05 -0.17 0.00 -0.13 0.00 0.00 55.73 55.87 2yrj s ARG 14 Cb -0.19 -1.21 -0.07 0.00 -1.56 0.00 0.00 34.95 31.92 2yrj s ARG 14 CO 0.19 -0.28 0.42 0.00 -0.81 0.00 0.00 175.30 174.82 2yrj n GLY 16 N 1.84 -0.93 0.17 0.00 0.00 -1.26 -3.18 105.19 101.83 2yrj n GLY 16 Ca 0.10 -0.30 -0.06 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 -0.41 0.04 1.61 4.57 -1.99 -3.39 114.58 115.01 2yrj h GLU 17 Ca -0.53 0.03 -0.36 0.00 -1.18 0.00 0.00 59.36 57.32 2yrj h GLU 17 Cb 2.19 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 30.83 2yrj h GLU 17 CO 0.02 -0.27 -2.06 0.00 -1.18 0.00 0.00 179.01 175.52 2yrj n GLY 19 N 1.80 1.78 1.44 0.00 0.00 -1.19 -5.05 105.19 103.97 2yrj n GLY 19 Ca -0.40 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 -3.32 -3.71 1.61 5.02 -1.26 -4.41 118.16 112.10 2yrj n LYS 20 Ca 0.00 -0.66 -0.10 0.00 -2.02 0.00 0.00 58.31 55.53 2yrj n LYS 20 Cb 0.00 -0.86 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 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 -0.71 -0.25 7.82 0.00 -1.26 -0.04 121.76 125.28 2yrj s ALA 21 Ca 0.30 -0.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 2yrj s ALA 21 Cb -0.05 0.60 0.07 0.00 0.00 0.00 0.00 23.12 23.73 2yrj s ALA 21 CO 0.25 -0.58 0.71 -0.06 0.00 0.00 0.00 175.76 176.08 2yrj s PHE 22 N -3.70 -0.77 0.33 0.00 0.40 -0.49 -4.95 117.98 108.80 2yrj s PHE 22 Ca 0.03 1.84 0.07 0.00 -0.60 0.00 0.00 56.93 58.27 2yrj s PHE 22 Cb 0.03 0.28 0.57 0.00 0.51 0.00 0.00 43.02 44.41 2yrj s PHE 22 CO -0.11 -0.40 1.79 0.00 0.70 0.00 0.00 175.22 177.20 2yrj h ALA 23 N 4.81 1.26 -4.17 5.36 0.00 -1.87 -3.29 119.26 121.37 2yrj h ALA 23 Ca -0.29 -0.32 -0.64 0.00 0.00 0.00 0.00 54.91 53.67 2yrj h ALA 23 Cb 1.16 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.59 2yrj h ALA 23 CO 0.09 0.49 -0.86 -0.65 0.00 0.00 0.00 179.25 178.32 2yrj s GLN 24 N -4.46 1.58 0.09 0.00 -0.21 -1.26 -4.81 119.66 110.60 2yrj s GLN 24 Ca -0.05 -1.03 -0.27 0.00 0.02 0.00 0.00 55.36 54.02 2yrj s GLN 24 Cb 0.14 -1.73 -0.13 0.00 1.00 0.00 0.00 33.01 32.29 2yrj s GLN 24 CO 0.76 0.44 1.67 0.87 -2.12 0.00 0.00 175.29 176.91 2yrj h LYS 25 N 4.81 -0.43 -1.39 2.91 1.79 -2.00 -2.08 116.57 120.19 2yrj h LYS 25 Ca -0.45 0.03 0.44 0.00 -2.18 0.00 0.00 60.65 58.50 2yrj h LYS 25 Cb 1.15 0.10 -0.12 0.00 -1.58 0.00 0.00 32.23 31.78 2yrj h LYS 25 CO 0.44 -0.28 0.92 0.00 -1.08 0.00 0.00 179.45 179.44 2yrj h ALA 26 N 0.28 2.89 -0.01 3.86 0.00 -1.98 1.81 119.26 126.10 2yrj h ALA 26 Ca -0.01 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2yrj h ALA 26 Cb 0.39 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2yrj h ALA 26 CO -0.01 -1.49 -0.83 -0.97 0.00 0.00 0.00 179.25 175.95 2yrj h ASN 27 N 0.08 0.30 0.00 0.00 -0.73 -1.80 -3.10 115.58 110.33 2yrj h ASN 27 Ca 0.82 -0.22 -0.00 0.00 1.87 0.00 0.00 56.30 58.76 2yrj h ASN 27 Cb 2.69 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 41.19 2yrj h ASN 27 CO -0.34 1.00 -0.01 0.25 -0.37 0.00 0.00 177.43 177.96 2yrj h LEU 28 N 0.14 0.00 -1.03 0.34 5.85 0.28 -3.11 115.31 117.78 2yrj h LEU 28 Ca -0.04 -0.32 0.34 0.00 0.84 0.00 0.00 57.88 58.69 2yrj h LEU 28 Cb 1.43 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.31 2yrj h LEU 28 CO 0.13 0.66 0.58 0.74 -0.34 0.00 0.00 178.44 180.21 2yrj h THR 29 N -1.00 0.27 0.00 1.05 2.02 -0.42 1.34 112.91 116.17 2yrj h THR 29 Ca -0.00 -0.10 -0.12 0.00 0.77 0.00 0.00 66.41 66.96 2yrj h THR 29 Cb 0.33 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 2yrj h THR 29 CO -0.00 0.05 -0.56 0.06 0.37 0.00 0.00 175.52 175.44 2yrj h GLN 30 N 0.29 0.00 -0.39 6.66 3.07 -1.66 -3.13 115.11 119.96 2yrj h GLN 30 Ca 0.75 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 59.37 2yrj h GLN 30 Cb 1.76 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.31 2yrj h GLN 30 CO -0.61 0.56 -0.23 1.25 0.09 0.00 0.00 178.83 179.89 2yrj h HIS 31 N 0.00 0.98 -0.09 0.06 2.76 0.18 -2.75 115.15 116.29 2yrj h HIS 31 Ca -0.01 -0.26 0.03 0.00 -2.20 0.00 0.00 60.37 57.93 2yrj h HIS 31 Cb 1.01 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.74 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 0.65 0.00 0.00 5.26 4.20 -1.22 0.15 115.11 124.15 2yrj h GLN 32 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2yrj h GLN 32 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 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 -0.19 1.46 2.47 -1.58 -1.48 114.38 115.06 2yrj h ARG 33 Ca 0.04 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.60 2yrj h ARG 33 Cb 0.62 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 2yrj h ARG 33 CO -0.00 0.00 -0.54 -0.84 0.56 0.00 0.00 179.97 179.15 2yrj h ILE 34 N 0.00 1.32 0.05 2.04 3.07 -0.89 -2.68 117.51 120.41 2yrj h ILE 34 Ca 0.00 -1.79 -0.09 0.00 1.55 0.00 0.00 64.86 64.53 2yrj h ILE 34 Cb 0.08 1.76 0.01 0.00 -0.27 0.00 0.00 36.82 38.40 2yrj h ILE 34 CO 0.00 0.56 -0.39 0.45 -1.05 0.00 0.00 178.15 177.72 2yrj h HIS 35 N 0.43 0.30 -0.44 0.16 3.86 -1.46 -2.87 115.15 115.13 2yrj h HIS 35 Ca 0.01 -0.20 0.08 0.00 -1.16 0.00 0.00 60.37 59.11 2yrj h HIS 35 Cb 1.09 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 29.46 2yrj h HIS 35 CO 0.05 1.10 -0.02 1.79 0.86 0.00 0.00 177.93 181.70 2yrj h THR 36 N -0.58 0.64 -0.27 2.45 1.35 -1.52 -2.38 112.91 112.60 2yrj h THR 36 Ca -0.06 -0.03 -0.03 0.00 -0.55 0.00 0.00 66.41 65.74 2yrj h THR 36 Cb 1.24 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 2yrj h THR 36 CO 0.07 0.02 0.06 1.23 -0.25 0.00 0.00 175.52 176.65 2yrj h GLY 37 N 0.09 0.47 -6.19 5.82 0.00 -1.60 -3.44 103.07 98.22 2yrj h GLY 37 Ca 0.22 -0.30 -0.77 0.00 0.00 0.00 0.00 47.33 46.48 2yrj h GLY 37 CO -0.38 0.28 0.63 -2.21 0.00 0.00 0.00 176.54 174.85 2yrj n GLU 38 N -4.69 0.00 -4.41 4.80 2.13 -0.90 -4.93 120.64 112.65 2yrj n GLU 38 Ca -0.03 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.50 2yrj n GLU 38 Cb 0.18 -1.33 -0.13 0.00 0.27 0.00 0.00 31.44 30.44 2yrj n GLU 38 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2yrj s LYS 39 N 2.74 1.56 -0.23 5.31 -2.85 -1.26 -5.00 119.74 120.00 2yrj s LYS 39 Ca 0.93 -1.27 -0.29 0.00 -1.00 0.00 0.00 55.97 54.34 2yrj s LYS 39 Cb -1.33 -1.98 -0.02 0.00 -2.06 0.00 0.00 37.83 32.44 2yrj s LYS 39 CO 0.72 0.47 1.62 -1.25 0.10 0.00 0.00 175.35 177.01 2yrj s PRO 40 N -2.01 3.76 -0.12 1.78 0.04 -1.26 -4.98 135.00 132.21 2yrj s PRO 40 Ca 0.15 1.62 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 2yrj s PRO 40 Cb -0.10 -4.05 0.05 0.00 0.04 0.00 0.00 34.50 30.44 2yrj s PRO 40 CO 0.07 -1.34 0.52 -1.54 0.04 0.00 0.00 177.00 174.74 2yrj s SER 41 N 4.35 -0.49 0.00 6.66 1.04 -1.26 -5.15 113.70 118.85 2yrj s SER 41 Ca 0.72 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.90 2yrj s SER 41 Cb -0.24 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2yrj s SER 41 CO 0.30 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2yrj n GLY 42 N 1.98 0.13 3.64 7.32 0.00 -1.26 -5.07 105.19 111.93 2yrj n GLY 42 Ca -0.17 -2.26 -0.29 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.30 0.37 1.61 0.04 -1.26 -4.94 135.00 130.53 2yrj s PRO 43 Ca 0.00 0.27 -0.24 0.00 0.04 0.00 0.00 61.00 61.07 2yrj s PRO 43 Cb 0.00 -1.67 -0.13 0.00 0.04 0.00 0.00 34.50 32.73 2yrj s PRO 43 CO 0.00 -3.17 0.64 0.45 0.04 0.00 0.00 177.00 174.96 2yrj n SER 44 N -4.44 -0.49 -3.99 6.66 2.88 -1.26 -4.99 113.62 108.00 2yrj n SER 44 Ca 0.08 0.99 -0.11 0.00 -1.33 0.00 0.00 58.87 58.50 2yrj n SER 44 Cb 0.58 -1.13 -0.07 0.00 -0.75 0.00 0.00 64.21 62.85 2yrj n SER 44 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yrj s SER 45 N -0.88 0.09 0.00 -3.46 0.15 -1.26 -5.21 113.70 103.14 2yrj s SER 45 Ca 0.62 -1.14 0.25 0.00 0.70 0.00 0.00 55.95 56.38 2yrj s SER 45 Cb -0.66 0.53 0.36 0.00 -1.71 0.00 0.00 66.02 64.53 2yrj s SER 45 CO 0.58 -1.06 1.35 0.61 1.20 0.00 0.00 173.24 175.93