#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 4.65 0.01 1.61 0.01 -1.26 -5.12 113.70 113.61 2yrj s SER 2 Ca 0.00 0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.44 2yrj s SER 2 Cb 0.00 -0.81 -0.01 0.00 0.21 0.00 0.00 66.02 65.41 2yrj s SER 2 CO 0.00 -1.67 0.07 -0.44 0.41 0.00 0.00 173.24 171.61 2yrj s SER 3 N -4.57 0.11 1.34 2.44 0.01 -1.26 -5.16 113.70 106.61 2yrj s SER 3 Ca 0.62 -0.33 -0.20 0.00 1.31 0.00 0.00 55.95 57.36 2yrj s SER 3 Cb -0.09 0.16 0.34 0.00 0.21 0.00 0.00 66.02 66.64 2yrj s SER 3 CO 0.44 -0.34 0.97 -0.83 0.41 0.00 0.00 173.24 173.89 2yrj s GLY 4 N -1.42 1.46 -0.13 3.44 0.00 -1.26 -5.01 107.32 104.40 2yrj s GLY 4 Ca -0.15 -0.64 -0.09 0.00 0.00 0.00 0.00 44.72 43.84 2yrj s GLY 4 CO 0.01 0.28 0.17 -0.45 0.00 0.00 0.00 173.10 173.11 2yrj s SER 5 N -3.02 6.39 -0.05 1.64 0.15 -1.26 -5.03 113.70 112.53 2yrj s SER 5 Ca 0.69 0.46 -0.09 0.00 0.70 0.00 0.00 55.95 57.71 2yrj s SER 5 Cb -0.16 -2.10 -0.05 0.00 -1.71 0.00 0.00 66.02 62.00 2yrj s SER 5 CO 0.60 0.33 0.43 0.28 1.20 0.00 0.00 173.24 176.08 2yrj h SER 6 N 5.47 -0.29 0.00 5.45 0.02 -1.99 -3.49 113.55 118.72 2yrj h SER 6 Ca -0.50 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2yrj h SER 6 Cb 1.21 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2yrj h SER 6 CO 0.64 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 177.03 2yrj n GLY 7 N 0.83 0.05 1.98 -3.77 0.00 -1.26 -4.97 105.19 98.05 2yrj n GLY 7 Ca -0.04 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2yrj n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yrj n THR 8 N -1.51 2.57 0.00 2.61 -2.24 -1.26 -4.86 114.28 109.58 2yrj n THR 8 Ca 0.00 -4.12 0.00 0.00 -2.27 0.00 0.00 64.05 57.66 2yrj n THR 8 Cb 0.00 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 2yrj n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yrj n GLY 9 N -0.74 0.80 3.96 3.38 0.00 -1.26 -4.99 105.19 106.34 2yrj n GLY 9 Ca 0.44 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.32 1.46 -0.37 1.61 0.41 -1.26 -5.02 118.70 115.21 2yrj s GLU 10 Ca 0.00 -0.65 -0.09 0.00 -0.41 0.00 0.00 54.97 53.82 2yrj s GLU 10 Cb 0.00 -2.12 0.04 0.00 -1.78 0.00 0.00 34.13 30.27 2yrj s GLU 10 CO 0.00 -1.72 0.19 0.15 -0.49 0.00 0.00 175.26 173.38 2yrj s LYS 11 N -5.43 2.73 0.26 1.61 1.02 -1.26 -4.75 119.74 113.92 2yrj s LYS 11 Ca 0.67 -1.17 0.04 0.00 0.02 0.00 0.00 55.97 55.54 2yrj s LYS 11 Cb -0.06 -3.67 0.35 0.00 -0.52 0.00 0.00 37.83 33.93 2yrj s LYS 11 CO 0.47 -0.73 1.64 -1.00 -0.92 0.00 0.00 175.35 174.81 2yrj h PRO 12 N 8.37 0.31 -5.98 -1.68 0.13 -1.87 -3.43 132.00 127.85 2yrj h PRO 12 Ca -0.24 -0.16 -0.58 0.00 -0.87 0.00 0.00 66.00 64.14 2yrj h PRO 12 Cb 1.09 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.16 2yrj h PRO 12 CO 0.66 0.71 0.47 0.71 -0.23 0.00 0.00 178.00 180.33 2yrj s TYR 13 N -4.07 3.41 -0.11 1.56 1.51 -1.25 -5.01 117.35 113.39 2yrj s TYR 13 Ca -0.05 1.31 -0.00 0.00 -1.01 0.00 0.00 57.07 57.32 2yrj s TYR 13 Cb 0.13 -3.07 0.02 0.00 -0.11 0.00 0.00 41.96 38.93 2yrj s TYR 13 CO 0.79 -0.29 -0.09 0.50 -1.11 0.00 0.00 175.55 175.36 2yrj s ARG 14 N 2.35 1.61 0.66 -0.62 3.52 -1.26 -1.64 118.95 123.57 2yrj s ARG 14 Ca 0.40 -0.29 -0.17 0.00 -0.13 0.00 0.00 55.73 55.53 2yrj s ARG 14 Cb -0.16 -1.61 -0.07 0.00 -1.56 0.00 0.00 34.95 31.54 2yrj s ARG 14 CO 0.12 -0.24 0.42 0.00 -0.81 0.00 0.00 175.30 174.79 2yrj n GLY 16 N 1.84 -0.90 0.01 0.00 0.00 -1.26 -3.22 105.19 101.67 2yrj n GLY 16 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.03 0.07 1.61 4.57 -1.99 -3.39 114.58 115.42 2yrj h GLU 17 Ca -0.50 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.38 2yrj h GLU 17 Cb 2.15 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.73 2yrj h GLU 17 CO 0.03 -0.02 -1.64 0.00 -1.18 0.00 0.00 179.01 176.20 2yrj n GLY 19 N 1.73 1.81 1.66 0.00 0.00 -1.20 -5.05 105.19 104.15 2yrj n GLY 19 Ca -0.31 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.21 -3.17 -3.68 1.61 5.02 -1.26 -4.46 118.16 112.01 2yrj n LYS 20 Ca 0.00 -0.78 -0.10 0.00 -2.02 0.00 0.00 58.31 55.41 2yrj n LYS 20 Cb 0.00 -0.94 -0.05 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 -2.28 -0.82 -0.22 7.82 0.00 -1.26 -0.29 121.76 124.71 2yrj s ALA 21 Ca 0.35 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 2yrj s ALA 21 Cb -0.05 0.61 0.07 0.00 0.00 0.00 0.00 23.12 23.75 2yrj s ALA 21 CO 0.29 -0.60 0.70 -0.06 0.00 0.00 0.00 175.76 176.09 2yrj s PHE 22 N -3.64 -0.75 0.32 0.00 0.40 -0.65 -4.96 117.98 108.70 2yrj s PHE 22 Ca 0.02 1.71 0.06 0.00 -0.60 0.00 0.00 56.93 58.13 2yrj s PHE 22 Cb 0.02 0.30 0.55 0.00 0.51 0.00 0.00 43.02 44.40 2yrj s PHE 22 CO -0.11 -0.43 1.79 0.00 0.70 0.00 0.00 175.22 177.18 2yrj h ALA 23 N 4.57 1.25 -4.05 5.36 0.00 -1.87 -3.31 119.26 121.20 2yrj h ALA 23 Ca -0.28 -0.31 -0.61 0.00 0.00 0.00 0.00 54.91 53.71 2yrj h ALA 23 Cb 1.16 -0.10 -0.25 0.00 0.00 0.00 0.00 17.79 18.59 2yrj h ALA 23 CO 0.13 0.50 -0.85 -0.65 0.00 0.00 0.00 179.25 178.38 2yrj s GLN 24 N -4.49 1.44 0.09 0.00 -0.21 -1.26 -4.79 119.66 110.44 2yrj s GLN 24 Ca -0.06 -1.03 -0.26 0.00 0.02 0.00 0.00 55.36 54.04 2yrj s GLN 24 Cb 0.14 -1.61 -0.14 0.00 1.00 0.00 0.00 33.01 32.40 2yrj s GLN 24 CO 0.76 0.41 1.69 0.87 -2.12 0.00 0.00 175.29 176.90 2yrj h LYS 25 N 4.69 -0.29 -1.68 2.91 1.79 -1.99 -2.04 116.57 119.96 2yrj h LYS 25 Ca -0.44 0.02 0.50 0.00 -2.18 0.00 0.00 60.65 58.55 2yrj h LYS 25 Cb 1.16 0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 31.79 2yrj h LYS 25 CO 0.43 -0.19 1.19 0.00 -1.08 0.00 0.00 179.45 179.80 2yrj h ALA 26 N 0.50 3.49 0.08 3.86 0.00 -1.99 1.95 119.26 127.15 2yrj h ALA 26 Ca -0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 2yrj h ALA 26 Cb 0.26 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2yrj h ALA 26 CO 0.01 -2.02 -1.15 -0.97 0.00 0.00 0.00 179.25 175.11 2yrj h ASN 27 N 0.02 0.26 0.01 0.00 -0.73 -1.79 -3.22 115.58 110.13 2yrj h ASN 27 Ca 0.84 -0.28 -0.00 0.00 1.87 0.00 0.00 56.30 58.74 2yrj h ASN 27 Cb 3.23 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 41.74 2yrj h ASN 27 CO -0.10 1.22 -0.00 0.25 -0.37 0.00 0.00 177.43 178.43 2yrj h LEU 28 N 0.04 -0.01 -0.87 0.34 5.85 0.31 -3.16 115.31 117.82 2yrj h LEU 28 Ca -0.09 -0.61 0.23 0.00 0.84 0.00 0.00 57.88 58.25 2yrj h LEU 28 Cb 1.89 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.79 2yrj h LEU 28 CO 0.17 0.79 0.21 0.74 -0.34 0.00 0.00 178.44 180.02 2yrj h THR 29 N -0.99 0.32 0.00 1.05 2.02 -0.44 0.93 112.91 115.80 2yrj h THR 29 Ca -0.00 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 2yrj h THR 29 Cb 0.62 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2yrj h THR 29 CO 0.00 0.04 -0.29 0.06 0.37 0.00 0.00 175.52 175.69 2yrj h GLN 30 N 0.20 0.00 -0.13 6.66 3.07 -1.68 -2.96 115.11 120.27 2yrj h GLN 30 Ca 0.54 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 59.19 2yrj h GLN 30 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.63 2yrj h GLN 30 CO -0.65 0.29 -0.27 1.25 0.09 0.00 0.00 178.83 179.54 2yrj h HIS 31 N 0.00 0.53 -0.48 0.06 2.76 0.86 -3.04 115.15 115.84 2yrj h HIS 31 Ca -0.00 -0.19 0.14 0.00 -2.20 0.00 0.00 60.37 58.12 2yrj h HIS 31 Cb 0.53 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 2yrj h HIS 31 CO 0.00 0.89 0.52 1.96 -1.30 0.00 0.00 177.93 180.00 2yrj h GLN 32 N 0.02 0.00 0.00 5.26 4.20 -0.94 0.22 115.11 123.87 2yrj h GLN 32 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2yrj h GLN 32 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2yrj h GLN 32 CO 0.06 0.00 0.18 0.00 -0.67 0.00 0.00 178.83 178.40 2yrj h ARG 33 N 0.00 0.00 -0.02 1.46 3.08 -1.54 0.13 114.38 117.49 2yrj h ARG 33 Ca 0.23 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.11 2yrj h ARG 33 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 2yrj h ARG 33 CO -0.00 0.00 -0.76 -0.84 -1.07 0.00 0.00 179.97 177.29 2yrj h ILE 34 N 0.00 1.46 -0.41 2.04 3.07 -0.76 -3.09 117.51 119.82 2yrj h ILE 34 Ca 0.00 -2.39 -0.20 0.00 1.55 0.00 0.00 64.86 63.83 2yrj h ILE 34 Cb 0.35 2.29 -0.12 0.00 -0.27 0.00 0.00 36.82 39.08 2yrj h ILE 34 CO 0.00 0.70 0.25 1.41 -1.05 0.00 0.00 178.15 179.45 2yrj n HIS 35 N -3.73 1.29 -2.39 0.16 8.25 0.46 -4.06 115.22 115.20 2yrj n HIS 35 Ca -0.03 -0.98 -0.16 0.00 -0.26 0.00 0.00 57.72 56.30 2yrj n HIS 35 Cb 0.73 -0.52 0.03 0.00 1.12 0.00 0.00 29.99 31.35 2yrj n HIS 35 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2yrj n THR 36 N -0.15 1.99 -3.38 1.59 -2.24 -1.17 -4.97 114.28 105.95 2yrj n THR 36 Ca 0.24 -3.80 -0.16 0.00 -2.27 0.00 0.00 64.05 58.06 2yrj n THR 36 Cb 0.97 -0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.88 2yrj n THR 36 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2yrj s GLY 37 N -3.62 -0.18 -0.06 3.38 0.00 -1.26 -5.09 107.32 100.49 2yrj s GLY 37 Ca 0.41 -0.39 -0.05 0.00 0.00 0.00 0.00 44.72 44.70 2yrj s GLY 37 CO -0.01 2.72 0.15 1.85 0.00 0.00 0.00 173.10 177.81 2yrj s GLU 38 N 2.19 3.41 -0.06 2.90 2.56 -1.26 -5.10 118.70 123.33 2yrj s GLU 38 Ca 0.11 -0.24 -0.05 0.00 0.00 0.00 0.00 54.97 54.79 2yrj s GLU 38 Cb -0.14 -3.12 -0.04 0.00 2.00 0.00 0.00 34.13 32.83 2yrj s GLU 38 CO -0.26 0.73 0.16 -1.59 -0.56 0.00 0.00 175.26 173.73 2yrj s LYS 39 N -1.46 3.42 -0.83 4.30 -2.85 -1.26 -5.02 119.74 116.04 2yrj s LYS 39 Ca 0.21 -0.23 -0.25 0.00 -1.00 0.00 0.00 55.97 54.70 2yrj s LYS 39 Cb -0.12 -3.13 -0.04 0.00 -2.06 0.00 0.00 37.83 32.47 2yrj s LYS 39 CO 0.11 0.73 1.93 -1.25 0.10 0.00 0.00 175.35 176.96 2yrj s PRO 40 N -1.47 2.57 -0.11 1.78 0.04 -1.26 -4.78 135.00 131.77 2yrj s PRO 40 Ca 0.21 -0.08 -0.22 0.00 0.04 0.00 0.00 61.00 60.95 2yrj s PRO 40 Cb -0.12 -4.90 -0.27 0.00 0.04 0.00 0.00 34.50 29.25 2yrj s PRO 40 CO 0.11 -3.22 0.66 1.03 0.04 0.00 0.00 177.00 175.62 2yrj h SER 41 N 12.17 0.25 0.00 6.66 0.87 -2.03 -3.48 113.55 127.99 2yrj h SER 41 Ca 0.01 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 2yrj h SER 41 Cb 1.04 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2yrj h SER 41 CO 1.21 1.37 0.00 0.61 -0.53 0.00 0.00 176.83 179.49 2yrj n GLY 42 N 1.64 0.58 3.60 5.77 0.00 -1.26 -5.00 105.19 110.52 2yrj n GLY 42 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 0.85 3.35 0.43 1.61 0.04 -1.26 -4.99 135.00 135.04 2yrj s PRO 43 Ca 0.00 1.27 0.07 0.00 0.04 0.00 0.00 61.00 62.37 2yrj s PRO 43 Cb 0.00 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 2yrj s PRO 43 CO 0.00 -1.84 0.19 -1.54 0.04 0.00 0.00 177.00 173.85 2yrj s SER 44 N 5.70 4.43 -0.12 6.66 1.04 -1.26 -4.97 113.70 125.18 2yrj s SER 44 Ca 0.75 -1.14 -0.05 0.00 0.48 0.00 0.00 55.95 55.99 2yrj s SER 44 Cb -0.20 -0.31 -0.15 0.00 0.10 0.00 0.00 66.02 65.46 2yrj s SER 44 CO 0.33 -0.63 3.22 -1.20 0.98 0.00 0.00 173.24 175.94 2yrj n SER 45 N -1.30 5.58 0.00 7.02 7.64 -1.26 -5.20 113.62 126.10 2yrj n SER 45 Ca -0.02 -2.66 0.00 0.00 1.01 0.00 0.00 58.87 57.20 2yrj n SER 45 Cb 0.65 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2yrj n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64